| 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 | 39.7 | Very low | 65 | Low | 234 Ų | 234 | 114.3 Ų | 114.3 | 100% | 1.153 | 61% | 0.608 | S | S | * | * | 0 | 11.3 | 0 | -77.5 | -174.1 | 177.4 | 0 | 0 | 112.8 | D3 | M1-D3 PolarHBondContact O-N 3.33Š| |||
| 2 | A | 48.4 | Very low | 65.9 | Low | 83 Ų | 83 | 108.4 Ų | 108.4 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | trans | -84.7 | 23.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q4 | A2-Q4 PolarHBondContact O-N 3.36Š| ||
| 3 | D | 48 | Very low | 67 | Low | 148 Ų | 148 | 100.1 Ų | 100.1 | 79% | 0.791 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 9.1 | -159.2 | -108.1 | -88.8 | 0 | 0 | 0 | 115.5 | M1 | M1-D3 PolarHBondContact O-N 3.33Š|
| 4 | Q | 57.4 | Low | 68.1 | Low | 185 Ų | 185 | 102.4 Ų | 102.4 | 86% | 0.864 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.9 | 18.1 | -174.9 | -67.8 | -171.1 | -12.6 | 0 | 0 | 115.6 | A2 | A2-Q4 PolarHBondContact O-N 3.36Š|
| 5 | L | 64.3 | Low | 69 | Low | 43 Ų | 43 | 102.6 Ų | 102.6 | 23% | 0.225 | 53% | 0.531 | C | S | . | . | trans | -94.4 | 127.8 | 170.7 | -65.5 | 174.1 | 0 | 0 | 0 | 109.3 | Q9 I10 F13 L70 | L5-Q9 HydrophobicContact CB-CB 4.37Å; L5-Q9 HydrophobicContact CD2-CB 4.32Å; L5-I10 HydrophobicContact CB-CG1 4.04Å; L5-F13 HydrophobicContact CD1-CD2 4.11Å; L5-F13 HydrophobicContact CD1-CE2 3.74Å; L5-F13 HydrophobicContact CD2-CE2 3.91Å; L5-F13 HydrophobicContact CG-CE2 4.4Å; L5-L70 HydrophobicContact CD1-CD2 3.97Å | ||
| 6 | T | 73.2 | Confident | 69.6 | Low | 74 Ų | 74 | 96.4 Ų | 96.4 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | trans | -68.9 | 159.2 | 176.6 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | E8 Q9 I10 | T6-E8 PolarHBondContact O-N 3.2Å; T6-Q9 PolarHBondContact O-N 2.83Å; T6-Q9 VanDerWaalsContact O-N 3.11Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.38Å; T6-Q9 PolarHBondContact OG1-N 2.78Å; T6-Q9 PolarHBondContact OG1-OE1 2.87Å; T6-Q9 VanDerWaalsContact OG1-OE1 3.13Å; T6-I10 WeakPolarHBondContact O-CG1 3.41Å; T6-I10 PolarHBondContact O-N 2.87Å | ||
| 7 | E | 78.3 | Confident | 70.4 | Confident | 176 Ų | 176 | 91.2 Ų | 91.2 | 82% | 0.822 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -57.2 | -34.6 | 177.3 | -75.2 | -174 | 141.9 | 0 | 0 | 112.2 | I10 A11 | E7-I10 PolarHBondContact O-N 3.18Å; E7-A11 WeakPolarHBondContact O-CB 3.22Å; E7-A11 PolarHBondContact O-N 3.45Å |
| 8 | E | 74.2 | Confident | 71.2 | Confident | 149 Ų | 149 | 89.9 Ų | 89.9 | 70% | 0.696 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.9 | -51.6 | 173.1 | -77.9 | 171.4 | 146.3 | 0 | 0 | 111.2 | T6 I10 A11 E12 | T6-E8 PolarHBondContact O-N 3.2Å; E8-I10 VanDerWaalsContact C-N 3.28Å; E8-I10 PolarHBondContact O-N 3.23Å; E8-A11 WeakPolarHBondContact O-CB 3.29Å; E8-A11 PolarHBondContact O-N 3.13Å; E8-E12 WeakPolarHBondContact O-CG 3.47Å; E8-E12 PolarHBondContact O-N 3Å |
| 9 | Q | 72 | Confident | 71.6 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 22% | 0.22 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 176.8 | -72.4 | 174.4 | -59.7 | 0 | 0 | 112.3 | L5 T6 A11 E12 F13 V148 | L5-Q9 HydrophobicContact CB-CB 4.37Å; L5-Q9 HydrophobicContact CD2-CB 4.32Å; T6-Q9 PolarHBondContact O-N 2.83Å; T6-Q9 VanDerWaalsContact O-N 3.11Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.38Å; T6-Q9 PolarHBondContact OG1-N 2.78Å; T6-Q9 PolarHBondContact OG1-OE1 2.87Å; T6-Q9 VanDerWaalsContact OG1-OE1 3.13Å; Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-E12 PolarHBondContact O-N 3.11Å; Q9-F13 HydrophobicContact CB-CD2 4.45Å; Q9-F13 HydrophobicContact CB-CE2 4.22Å; Q9-F13 WeakPolarHBondContact O-CD2 3.42Å; Q9-F13 WeakPolarHBondContact O-CG 3.42Å; Q9-F13 PolarHBondContact O-N 3.48Å; Q9-V148 HydrophobicContact CG-CG1 4.23Å; Q9-V148 HydrophobicContact CG-CG2 4.27Å |
| 10 | I | 79.3 | Confident | 72.2 | Confident | 63 Ų | 63 | 82 Ų | 82 | 32% | 0.323 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 177.1 | -65.2 | 170.5 | 0 | 0 | 0 | 110.5 | L5 T6 E7 E8 E12 F13 K14 F66 | L5-I10 HydrophobicContact CB-CG1 4.04Å; T6-I10 WeakPolarHBondContact O-CG1 3.41Å; T6-I10 PolarHBondContact O-N 2.87Å; E7-I10 PolarHBondContact O-N 3.18Å; E8-I10 VanDerWaalsContact C-N 3.28Å; E8-I10 PolarHBondContact O-N 3.23Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 2.7Å; I10-F13 PolarHBondContact O-N 3.44Å; I10-K14 WeakPolarHBondContact O-CB 3.46Å; I10-K14 PolarHBondContact O-N 3.46Å; I10-F66 HydrophobicContact CG2-CE1 3.96Å; I10-F66 HydrophobicContact CG2-CZ 3.98Å |
| 11 | A | 80.5 | Confident | 73 | Confident | 55 Ų | 55 | 78.7 Ų | 78.7 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E7 E8 Q9 K14 E15 | E7-A11 WeakPolarHBondContact O-CB 3.22Å; E7-A11 PolarHBondContact O-N 3.45Å; E8-A11 WeakPolarHBondContact O-CB 3.29Å; E8-A11 PolarHBondContact O-N 3.13Å; Q9-A11 VanDerWaalsContact C-N 3.34Å; A11-K14 WeakPolarHBondContact O-CA 3.09Å; A11-K14 VanDerWaalsContact O-CB 3.23Å; A11-K14 WeakPolarHBondContact O-CB 3.09Å; A11-K14 PolarHBondContact O-N 3.38Å; A11-K14 VanDerWaalsContact O-N 3.11Å; A11-E15 PolarHBondContact O-N 2.95Å |
| 12 | E | 75.4 | Confident | 75.1 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 178.2 | -68 | -174.4 | -132.6 | 0 | 0 | 112.9 | E8 Q9 I10 K14 E15 A16 V148 F149 | E8-E12 WeakPolarHBondContact O-CG 3.47Å; E8-E12 PolarHBondContact O-N 3Å; Q9-E12 PolarHBondContact O-N 3.11Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 2.7Å; E12-K14 PolarHBondContact O-N 3.37Å; E12-E15 PolarHBondContact O-N 2.91Å; E12-A16 PolarHBondContact O-N 3.4Å; E12-V148 HydrophobicContact CB-CG1 4.06Å; E12-V148 VanDerWaalsContact CD-CB 3.49Å; E12-V148 WeakPolarHBondContact OE2-CA 3.42Å; E12-V148 WeakPolarHBondContact OE2-CB 3.06Å; E12-V148 WeakPolarHBondContact OE2-CG1 3.38Å; E12-F149 WeakPolarHBondContact OE2-CA 3.33Å; E12-F149 PolarHBondContact OE2-N 3.36Å |
| 13 | F | 80.2 | Confident | 77 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -29.9 | 170.6 | -74 | -57.6 | 0 | 0 | 0 | 111.9 | L5 Q9 I10 A16 F17 F66 L70 M73 M77 T152 | L5-F13 HydrophobicContact CD1-CD2 4.11Å; L5-F13 HydrophobicContact CD1-CE2 3.74Å; L5-F13 HydrophobicContact CD2-CE2 3.91Å; L5-F13 HydrophobicContact CG-CE2 4.4Å; Q9-F13 HydrophobicContact CB-CD2 4.45Å; Q9-F13 HydrophobicContact CB-CE2 4.22Å; Q9-F13 WeakPolarHBondContact O-CD2 3.42Å; Q9-F13 WeakPolarHBondContact O-CG 3.42Å; Q9-F13 PolarHBondContact O-N 3.48Å; I10-F13 PolarHBondContact O-N 3.44Å; F13-A16 PolarHBondContact O-N 2.79Å; F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.34Å; F13-F17 PolarHBondContact O-N 3.43Å; F13-F66 HydrophobicContact CB-CE2 4.31Å; F13-F66 HydrophobicContact CB-CZ 4.42Å; F13-L70 HydrophobicContact CB-CD2 3.52Å; F13-L70 HydrophobicContact CD1-CD2 4.42Å; F13-L70 HydrophobicContact CD2-CD2 3.36Å; F13-L70 HydrophobicContact CE2-CD2 4.19Å; F13-L70 HydrophobicContact CG-CD2 3.52Å; F13-M73 HydrophobicContact CD1-CB 4.1Å; F13-M73 HydrophobicContact CD1-CE 4Å; F13-M73 HydrophobicContact CD1-CG 4.2Å; F13-M73 HydrophobicContact CE1-CB 3.64Å; F13-M73 HydrophobicContact CE1-CE 3.94Å; F13-M73 HydrophobicContact CE1-CG 4.11Å; F13-M73 HydrophobicContact CZ-CB 4.26Å; F13-M77 HydrophobicContact CZ-CE 4.12Å; F13-M77 HydrophobicContact CZ-SD 3.85Å; F13-T152 HydrophobicContact CD1-CG2 3.47Å; F13-T152 VanDerWaalsContact CD1-CG2 3.47Å; F13-T152 HydrophobicContact CE1-CG2 3.57Å |
| 14 | K | 82.9 | Confident | 78.9 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -72.7 | -37.5 | 177 | -150.2 | 176.8 | -173.7 | -177.4 | 0 | 112.1 | I10 A11 E12 F17 S18 F66 | I10-K14 WeakPolarHBondContact O-CB 3.46Å; I10-K14 PolarHBondContact O-N 3.46Å; A11-K14 WeakPolarHBondContact O-CA 3.09Å; A11-K14 VanDerWaalsContact O-CB 3.23Å; A11-K14 WeakPolarHBondContact O-CB 3.09Å; A11-K14 PolarHBondContact O-N 3.38Å; A11-K14 VanDerWaalsContact O-N 3.11Å; E12-K14 PolarHBondContact O-N 3.37Å; K14-F17 PolarHBondContact O-N 3.02Å; K14-S18 PolarHBondContact O-N 3.1Å; K14-F66 HydrophobicContact CB-CE2 3.88Å; K14-F66 HydrophobicContact CB-CZ 3.88Å; K14-F66 HydrophobicContact CG-CD2 4.49Å; K14-F66 HydrophobicContact CG-CE2 3.91Å; K14-F66 HydrophobicContact CG-CZ 4Å |
| 15 | E | 81.3 | Confident | 80.5 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 169.3 | -74.3 | -171.1 | 156.4 | 0 | 0 | 110.8 | A11 E12 F17 S18 L19 F149 | A11-E15 PolarHBondContact O-N 2.95Å; E12-E15 PolarHBondContact O-N 2.91Å; E15-F17 VanDerWaalsContact C-N 3.28Å; E15-F17 PolarHBondContact O-N 3.37Å; E15-S18 PolarHBondContact O-N 2.93Å; E15-S18 VanDerWaalsContact O-N 3.13Å; E15-S18 PolarHBondContact O-OG 2.84Å; E15-L19 PolarHBondContact O-N 3.41Å; E15-F149 HydrophobicContact CB-CE2 4.37Å |
| 16 | A | 78.4 | Confident | 81.7 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E12 F13 S18 L19 F20 F69 T152 | E12-A16 PolarHBondContact O-N 3.4Å; F13-A16 PolarHBondContact O-N 2.79Å; A16-S18 PolarHBondContact O-N 3.44Å; A16-L19 WeakPolarHBondContact O-CB 3.22Å; A16-L19 PolarHBondContact O-N 2.91Å; A16-F20 VanDerWaalsContact O-CD2 3.3Å; A16-F20 WeakPolarHBondContact O-CD2 3.26Å; A16-F69 HydrophobicContact CB-CE1 4.37Å; A16-F69 HydrophobicContact CB-CZ 4.39Å; A16-T152 HydrophobicContact CB-CG2 3.7Å |
| 17 | F | 84 | Confident | 82.7 | Confident | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 177.1 | -171.9 | -91.1 | 0 | 0 | 0 | 112 | F13 K14 E15 L19 F20 D21 G26 I28 F66 F69 | F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.34Å; F13-F17 PolarHBondContact O-N 3.43Å; K14-F17 PolarHBondContact O-N 3.02Å; E15-F17 VanDerWaalsContact C-N 3.28Å; E15-F17 PolarHBondContact O-N 3.37Å; F17-L19 PolarHBondContact O-N 2.82Å; F17-L19 VanDerWaalsContact O-N 3.15Å; F17-F20 PolarHBondContact O-N 3.43Å; F17-D21 HydrophobicContact CD1-CB 3.82Å; F17-D21 HydrophobicContact CE1-CB 3.55Å; F17-D21 WeakPolarHBondContact CE1-OD2 3.37Å; F17-D21 HydrophobicContact CZ-CB 4.37Å; F17-D21 PolarHBondContact O-N 2.87Å; F17-G26 VanDerWaalsContact CZ-O 3.31Å; F17-G26 WeakPolarHBondContact CZ-O 3.34Å; F17-I28 HydrophobicContact CD2-CD1 3.54Å; F17-I28 HydrophobicContact CD2-CG1 4.15Å; F17-I28 HydrophobicContact CE1-CG1 4.32Å; F17-I28 HydrophobicContact CE2-CD1 3.4Å; F17-I28 VanDerWaalsContact CE2-CD1 3.4Å; F17-I28 HydrophobicContact CE2-CG1 3.64Å; F17-I28 HydrophobicContact CG-CD1 4.29Å; F17-I28 HydrophobicContact CZ-CD1 4.04Å; F17-I28 HydrophobicContact CZ-CG1 3.73Å; F17-F66 HydrophobicContact CB-CD2 3.96Å; F17-F66 HydrophobicContact CB-CE2 4.17Å; F17-F66 HydrophobicContact CD1-CD2 4.39Å; F17-F66 AromaticContact CD2-CD2 3.9Å; F17-F66 HydrophobicContact CD2-CD2 3.9Å; F17-F66 HydrophobicContact CE2-CB 4.32Å; F17-F66 HydrophobicContact CE2-CD2 4.5Å; F17-F66 AromaticContact CG-CD2 3.83Å; F17-F66 HydrophobicContact CG-CD2 3.83Å; F17-F66 HydrophobicContact CZ-CB 4.43Å; F17-F69 HydrophobicContact CB-CD1 4.36Å; F17-F69 HydrophobicContact CB-CE1 4.34Å; F17-F69 HydrophobicContact CD2-CB 3.72Å; F17-F69 AromaticContact CD2-CD1 3.91Å; F17-F69 HydrophobicContact CD2-CD1 3.91Å; F17-F69 HydrophobicContact CD2-CD2 4.04Å; F17-F69 AromaticContact CD2-CG 3.63Å; F17-F69 HydrophobicContact CD2-CG 3.63Å; F17-F69 HydrophobicContact CE2-CB 3.9Å; F17-F69 HydrophobicContact CE2-CG 4.24Å |
| 18 | S | 84.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -15.8 | 179 | 71.4 | 0 | 0 | 0 | 0 | 114.4 | K14 E15 A16 F20 | K14-S18 PolarHBondContact O-N 3.1Å; E15-S18 PolarHBondContact O-N 2.93Å; E15-S18 VanDerWaalsContact O-N 3.13Å; E15-S18 PolarHBondContact O-OG 2.84Å; A16-S18 PolarHBondContact O-N 3.44Å; S18-F20 VanDerWaalsContact C-N 3.31Å |
| 19 | L | 79.7 | Confident | 84.1 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.4 | -31.1 | 173.1 | -67.5 | 158.1 | 0 | 0 | 0 | 111.6 | E15 A16 F17 K22 E115 F153 | E15-L19 PolarHBondContact O-N 3.41Å; A16-L19 WeakPolarHBondContact O-CB 3.22Å; A16-L19 PolarHBondContact O-N 2.91Å; F17-L19 PolarHBondContact O-N 2.82Å; F17-L19 VanDerWaalsContact O-N 3.15Å; L19-K22 WeakPolarHBondContact O-CE 3.45Å; L19-K22 PolarHBondContact O-NZ 2.89Å; L19-E115 HydrophobicContact CD2-CG 3.38Å; L19-F153 HydrophobicContact CD1-CD2 3.56Å; L19-F153 HydrophobicContact CD1-CE2 3.37Å; L19-F153 HydrophobicContact CG-CE2 4.46Å |
| 20 | F | 83.2 | Confident | 84.9 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -88.9 | -52.2 | 176.6 | -65.7 | -93.4 | 0 | 0 | 0 | 111.8 | A16 F17 S18 K22 I28 E32 L33 V36 F69 T156 F160 | A16-F20 VanDerWaalsContact O-CD2 3.3Å; A16-F20 WeakPolarHBondContact O-CD2 3.26Å; F17-F20 PolarHBondContact O-N 3.43Å; S18-F20 VanDerWaalsContact C-N 3.31Å; F20-K22 PolarHBondContact O-N 3.46Å; F20-I28 HydrophobicContact CB-CD1 3.52Å; F20-I28 HydrophobicContact CB-CG1 3.73Å; F20-I28 HydrophobicContact CB-CG2 4Å; F20-I28 HydrophobicContact CG-CD1 4.13Å; F20-E32 WeakPolarHBondContact O-CB 3.2Å; F20-L33 HydrophobicContact CD1-CD1 3.9Å; F20-L33 HydrophobicContact CE1-CD1 3.95Å; F20-V36 HydrophobicContact CD1-CB 3.89Å; F20-V36 HydrophobicContact CD1-CG1 3.82Å; F20-V36 HydrophobicContact CD1-CG2 3.79Å; F20-V36 HydrophobicContact CE1-CB 3.95Å; F20-V36 HydrophobicContact CE1-CG1 3.4Å; F20-V36 HydrophobicContact CE1-CG2 4.27Å; F20-V36 HydrophobicContact CG-CG2 4.3Å; F20-V36 HydrophobicContact CZ-CG1 3.99Å; F20-F69 HydrophobicContact CD2-CE2 4.44Å; F20-T156 HydrophobicContact CE2-CG2 3.42Å; F20-T156 VanDerWaalsContact CE2-CG2 3.42Å; F20-T156 HydrophobicContact CZ-CG2 3.49Å; F20-T156 VanDerWaalsContact CZ-CG2 3.49Å; F20-F160 HydrophobicContact CE1-CD2 4.2Å; F20-F160 HydrophobicContact CE1-CE2 4.35Å; F20-F160 HydrophobicContact CZ-CD2 4.15Å; F20-F160 HydrophobicContact CZ-CE2 4.41Å |
| 21 | D | 89 | Confident | 85.5 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | trans | -70.7 | 91.1 | 176.9 | 176.8 | 8.7 | 0 | 0 | 0 | 109.8 | F17 G24 D25 G26 I28 | F17-D21 HydrophobicContact CD1-CB 3.82Å; F17-D21 HydrophobicContact CE1-CB 3.55Å; F17-D21 WeakPolarHBondContact CE1-OD2 3.37Å; F17-D21 HydrophobicContact CZ-CB 4.37Å; F17-D21 PolarHBondContact O-N 2.87Å; D21-G24 WeakPolarHBondContact OD1-CA 3.17Å; D21-G24 PolarHBondContact OD1-N 3.19Å; D21-G24 WeakPolarHBondContact OD2-CA 3.39Å; D21-D25 PolarHBondContact OD1-N 2.96Å; D21-D25 PolarHBondContact OD2-N 2.84Å; D21-G26 VanDerWaalsContact OD2-CA 3.32Å; D21-G26 WeakPolarHBondContact OD2-CA 3.19Å; D21-G26 PolarHBondContact OD2-N 2.95Å; D21-I28 HydrophobicContact CB-CG1 4.27Å | ||
| 22 | K | 83.1 | Confident | 85.9 | Confident | 106 Ų | 106 | 50.2 Ų | 50.2 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -81.7 | -27.3 | -172.9 | -73.3 | -58.5 | -170.8 | -153.6 | 0 | 111.6 | L19 F20 E32 L113 | L19-K22 WeakPolarHBondContact O-CE 3.45Å; L19-K22 PolarHBondContact O-NZ 2.89Å; F20-K22 PolarHBondContact O-N 3.46Å; K22-E32 PolarHBondContact N-OE1 3.41Å; K22-L113 PolarHBondContact NZ-O 2.76Å |
| 23 | D | 89.2 | Confident | 86.5 | Confident | 110 Ų | 110 | 48.1 Ų | 48.1 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -92.5 | -11.4 | 178.7 | 70.2 | 17 | 0 | 0 | 0 | 113.5 | D25 E32 | D23-D25 VanDerWaalsContact C-N 3.31Å; D23-D25 VanDerWaalsContact OD1-CB 3.24Å; D23-D25 WeakPolarHBondContact OD1-CB 3.46Å; D23-D25 VanDerWaalsContact OD1-CG 3.3Å; D23-D25 PolarHBondContact OD1-N 2.83Å; D23-E32 PolarHBondContact N-OE1 2.96Å |
| 24 | G | 87.4 | Confident | 86.8 | Confident | 59 Ų | 59 | 48.1 Ų | 48.1 | 61% | 0.608 | 27% | 0.265 | S | S | * | . | trans | 72.9 | 24.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D21 G26 | D21-G24 WeakPolarHBondContact OD1-CA 3.17Å; D21-G24 PolarHBondContact OD1-N 3.19Å; D21-G24 WeakPolarHBondContact OD2-CA 3.39Å; G24-G26 PolarHBondContact O-N 3.22Å | ||
| 25 | D | 91.2 | Very high | 87 | Confident | 95 Ų | 95 | 45.2 Ų | 45.2 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -77.1 | -10 | -179.9 | 86 | -0.9 | 0 | 0 | 0 | 113.4 | D21 D23 T27 | D21-D25 PolarHBondContact OD1-N 2.96Å; D21-D25 PolarHBondContact OD2-N 2.84Å; D23-D25 VanDerWaalsContact C-N 3.31Å; D23-D25 VanDerWaalsContact OD1-CB 3.24Å; D23-D25 WeakPolarHBondContact OD1-CB 3.46Å; D23-D25 VanDerWaalsContact OD1-CG 3.3Å; D23-D25 PolarHBondContact OD1-N 2.83Å; D25-T27 WeakPolarHBondContact OD1-CA 3.44Å; D25-T27 WeakPolarHBondContact OD1-CB 3.47Å; D25-T27 PolarHBondContact OD1-N 2.83Å; D25-T27 VanDerWaalsContact OD1-O 3.08Å; D25-T27 PolarHBondContact OD1-OG1 2.86Å; D25-T27 PolarHBondContact OD2-OG1 3.21Å |
| 26 | G | 90.1 | Very high | 87.1 | Confident | 34 Ų | 34 | 40.4 Ų | 40.4 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 90.8 | 8.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | F17 D21 G24 | F17-G26 VanDerWaalsContact CZ-O 3.31Å; F17-G26 WeakPolarHBondContact CZ-O 3.34Å; D21-G26 VanDerWaalsContact OD2-CA 3.32Å; D21-G26 WeakPolarHBondContact OD2-CA 3.19Å; D21-G26 PolarHBondContact OD2-N 2.95Å; G24-G26 PolarHBondContact O-N 3.22Å |
| 27 | T | 92.1 | Very high | 87.2 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.202 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.5 | 177.6 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | D25 I64 D65 | D25-T27 WeakPolarHBondContact OD1-CA 3.44Å; D25-T27 WeakPolarHBondContact OD1-CB 3.47Å; D25-T27 PolarHBondContact OD1-N 2.83Å; D25-T27 VanDerWaalsContact OD1-O 3.08Å; D25-T27 PolarHBondContact OD1-OG1 2.86Å; D25-T27 PolarHBondContact OD2-OG1 3.21Å; T27-I64 CarbonylContact C-O 3.55Å; T27-I64 WeakPolarHBondContact CA-O 3.18Å; T27-D65 HydrophobicContact CG2-CB 4.46Å |
| 28 | I | 90.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.9 | 175.6 | -59.1 | 161.6 | 0 | 0 | 0 | 108.6 | F17 F20 D21 E32 L33 T63 I64 F69 | F17-I28 HydrophobicContact CD2-CD1 3.54Å; F17-I28 HydrophobicContact CD2-CG1 4.15Å; F17-I28 HydrophobicContact CE1-CG1 4.32Å; F17-I28 HydrophobicContact CE2-CD1 3.4Å; F17-I28 VanDerWaalsContact CE2-CD1 3.4Å; F17-I28 HydrophobicContact CE2-CG1 3.64Å; F17-I28 HydrophobicContact CG-CD1 4.29Å; F17-I28 HydrophobicContact CZ-CD1 4.04Å; F17-I28 HydrophobicContact CZ-CG1 3.73Å; F20-I28 HydrophobicContact CB-CD1 3.52Å; F20-I28 HydrophobicContact CB-CG1 3.73Å; F20-I28 HydrophobicContact CB-CG2 4Å; F20-I28 HydrophobicContact CG-CD1 4.13Å; D21-I28 HydrophobicContact CB-CG1 4.27Å; I28-E32 HydrophobicContact CG2-CB 4.24Å; I28-L33 HydrophobicContact CG2-CB 4.13Å; I28-T63 WeakPolarHBondContact O-CA 3.43Å; I28-I64 HydrophobicContact CB-CB 4.26Å; I28-I64 PolarHBondContact N-O 3.46Å; I28-I64 PolarHBondContact O-N 2.84Å; I28-F69 HydrophobicContact CD1-CD2 3.84Å; I28-F69 HydrophobicContact CD1-CE2 4.16Å |
| 29 | T | 91.9 | Very high | 87 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | trans | -84.1 | 161.9 | 176.6 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | K31 E32 L33 T63 | T29-K31 PolarHBondContact O-N 2.79Å; T29-K31 VanDerWaalsContact O-N 3.13Å; T29-E32 WeakPolarHBondContact CB-OE2 3.22Å; T29-E32 PolarHBondContact N-OE2 3.1Å; T29-E32 PolarHBondContact O-N 2.74Å; T29-E32 VanDerWaalsContact O-N 3.11Å; T29-E32 WeakPolarHBondContact OG1-CG 3.44Å; T29-E32 PolarHBondContact OG1-N 2.79Å; T29-E32 PolarHBondContact OG1-OE2 3.03Å; T29-L33 WeakPolarHBondContact O-CB 3.17Å; T29-L33 PolarHBondContact O-N 2.84Å; T29-T63 HydrophobicContact CG2-CG2 3.87Å | ||
| 30 | T | 90.5 | Very high | 86.7 | Confident | 19 Ų | 19 | 44 Ų | 44 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.6 | -35 | 172.6 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | G34 L49 Q50 I53 | T30-G34 PolarHBondContact O-N 3.29Å; T30-L49 HydrophobicContact CG2-CB 4.43Å; T30-Q50 HydrophobicContact CG2-CB 4.45Å; T30-I53 HydrophobicContact CG2-CD1 3.54Å; T30-I53 HydrophobicContact CG2-CG1 4.39Å |
| 31 | K | 90.3 | Very high | 86.3 | Confident | 151 Ų | 151 | 46.6 Ų | 46.6 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | 178.6 | -81.9 | -178 | 178.8 | 172.8 | 0 | 112.6 | T29 G34 T35 | T29-K31 PolarHBondContact O-N 2.79Å; T29-K31 VanDerWaalsContact O-N 3.13Å; K31-G34 PolarHBondContact O-N 2.97Å; K31-T35 WeakPolarHBondContact O-CB 3.34Å; K31-T35 PolarHBondContact O-N 3Å; K31-T35 PolarHBondContact O-OG1 3.17Å |
| 32 | E | 90.2 | Very high | 85.7 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 179.6 | -77.4 | 169.5 | 125.9 | 0 | 0 | 110.7 | F20 K22 D23 I28 T29 G34 T35 V36 | F20-E32 WeakPolarHBondContact O-CB 3.2Å; K22-E32 PolarHBondContact N-OE1 3.41Å; D23-E32 PolarHBondContact N-OE1 2.96Å; I28-E32 HydrophobicContact CG2-CB 4.24Å; T29-E32 WeakPolarHBondContact CB-OE2 3.22Å; T29-E32 PolarHBondContact N-OE2 3.1Å; T29-E32 PolarHBondContact O-N 2.74Å; T29-E32 VanDerWaalsContact O-N 3.11Å; T29-E32 WeakPolarHBondContact OG1-CG 3.44Å; T29-E32 PolarHBondContact OG1-N 2.79Å; T29-E32 PolarHBondContact OG1-OE2 3.03Å; E32-G34 VanDerWaalsContact C-N 3.32Å; E32-G34 PolarHBondContact O-N 3.07Å; E32-T35 WeakPolarHBondContact O-CB 3.42Å; E32-T35 PolarHBondContact O-N 3.39Å; E32-V36 PolarHBondContact O-N 3.24Å |
| 33 | L | 87 | Confident | 85.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 173.6 | -175 | 67.7 | 0 | 0 | 0 | 111.7 | F20 I28 T29 T35 V36 M37 L49 M52 I53 F160 | F20-L33 HydrophobicContact CD1-CD1 3.9Å; F20-L33 HydrophobicContact CE1-CD1 3.95Å; I28-L33 HydrophobicContact CG2-CB 4.13Å; T29-L33 WeakPolarHBondContact O-CB 3.17Å; T29-L33 PolarHBondContact O-N 2.84Å; L33-T35 PolarHBondContact O-N 3.26Å; L33-V36 PolarHBondContact O-N 3.07Å; L33-M37 WeakPolarHBondContact O-CB 3.38Å; L33-M37 VanDerWaalsContact O-CG 3.31Å; L33-M37 WeakPolarHBondContact O-CG 3.23Å; L33-M37 PolarHBondContact O-N 2.97Å; L33-L49 HydrophobicContact CB-CD2 4.25Å; L33-L49 HydrophobicContact CD2-CD2 3.73Å; L33-L49 HydrophobicContact CG-CD2 3.8Å; L33-M52 HydrophobicContact CD2-CB 4.32Å; L33-I53 HydrophobicContact CD2-CG1 4.21Å; L33-F160 HydrophobicContact CD1-CD1 3.36Å; L33-F160 HydrophobicContact CD1-CE1 3.06Å; L33-F160 HydrophobicContact CD1-CE2 4.26Å; L33-F160 HydrophobicContact CD1-CG 4.16Å; L33-F160 HydrophobicContact CD1-CZ 3.55Å; L33-F160 HydrophobicContact CD2-CD1 4.18Å; L33-F160 HydrophobicContact CD2-CE1 3.59Å; L33-F160 HydrophobicContact CD2-CZ 4.49Å; L33-F160 HydrophobicContact CG-CD1 4.19Å; L33-F160 HydrophobicContact CG-CE1 3.88Å |
| 34 | G | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -27.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T30 K31 E32 R38 | T30-G34 PolarHBondContact O-N 3.29Å; K31-G34 PolarHBondContact O-N 2.97Å; E32-G34 VanDerWaalsContact C-N 3.32Å; E32-G34 PolarHBondContact O-N 3.07Å; G34-R38 WeakPolarHBondContact O-CB 3.33Å; G34-R38 VanDerWaalsContact O-CG 3.29Å; G34-R38 WeakPolarHBondContact O-CG 3.41Å; G34-R38 PolarHBondContact O-N 3.26Å; G34-R38 VanDerWaalsContact O-N 3.1Å; G34-R38 PolarHBondContact O-NE 3.31Å; G34-R38 VanDerWaalsContact O-NE 3.1Å |
| 35 | T | 87.1 | Confident | 85.6 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 44% | 0.436 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.4 | -47.1 | 175 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | K31 E32 L33 R38 S39 | K31-T35 WeakPolarHBondContact O-CB 3.34Å; K31-T35 PolarHBondContact O-N 3Å; K31-T35 PolarHBondContact O-OG1 3.17Å; E32-T35 WeakPolarHBondContact O-CB 3.42Å; E32-T35 PolarHBondContact O-N 3.39Å; L33-T35 PolarHBondContact O-N 3.26Å; T35-R38 PolarHBondContact O-N 2.82Å; T35-S39 PolarHBondContact O-N 3.35Å; T35-S39 PolarHBondContact O-OG 3.47Å |
| 36 | V | 82.8 | Confident | 85.5 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.4 | 169 | 0 | 0 | 0 | 0 | 111.6 | F20 E32 L33 R38 S39 L40 L113 | F20-V36 HydrophobicContact CD1-CB 3.89Å; F20-V36 HydrophobicContact CD1-CG1 3.82Å; F20-V36 HydrophobicContact CD1-CG2 3.79Å; F20-V36 HydrophobicContact CE1-CB 3.95Å; F20-V36 HydrophobicContact CE1-CG1 3.4Å; F20-V36 HydrophobicContact CE1-CG2 4.27Å; F20-V36 HydrophobicContact CG-CG2 4.3Å; F20-V36 HydrophobicContact CZ-CG1 3.99Å; E32-V36 PolarHBondContact O-N 3.24Å; L33-V36 PolarHBondContact O-N 3.07Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 2.93Å; V36-S39 WeakPolarHBondContact O-CA 3.45Å; V36-S39 VanDerWaalsContact O-CB 3.27Å; V36-S39 WeakPolarHBondContact O-CB 2.97Å; V36-S39 PolarHBondContact O-N 3.47Å; V36-S39 VanDerWaalsContact O-N 3.13Å; V36-L40 HydrophobicContact CG1-CD1 4.1Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 3.42Å; V36-L113 HydrophobicContact CG1-CD2 3.58Å |
| 37 | M | 81.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.3 | -50.1 | 173.3 | -82.9 | -89 | 162 | 0 | 0 | 112.8 | L33 S39 L40 G41 Q42 P44 L49 M52 F160 | L33-M37 WeakPolarHBondContact O-CB 3.38Å; L33-M37 VanDerWaalsContact O-CG 3.31Å; L33-M37 WeakPolarHBondContact O-CG 3.23Å; L33-M37 PolarHBondContact O-N 2.97Å; M37-S39 VanDerWaalsContact C-N 3.31Å; M37-S39 PolarHBondContact O-N 3.28Å; M37-L40 WeakPolarHBondContact O-CB 3.46Å; M37-L40 PolarHBondContact O-N 3.43Å; M37-L40 VanDerWaalsContact O-N 3.08Å; M37-G41 PolarHBondContact O-N 2.96Å; M37-Q42 CarbonylContact C-O 3.22Å; M37-Q42 HydrophobicContact CB-CB 4.41Å; M37-Q42 WeakPolarHBondContact O-CB 3.4Å; M37-Q42 PolarHBondContact O-N 2.88Å; M37-Q42 HydrophobicContact SD-CB 3.79Å; M37-Q42 HydrophobicContact SD-CG 4.31Å; M37-P44 HydrophobicContact CB-CG 3.59Å; M37-P44 HydrophobicContact CG-CG 3.78Å; M37-P44 HydrophobicContact SD-CG 3.89Å; M37-L49 HydrophobicContact CG-CD2 4.2Å; M37-M52 HydrophobicContact CE-CE 3.9Å; M37-M52 HydrophobicContact CE-SD 4.26Å; M37-F160 HydrophobicContact CE-CB 3.35Å; M37-F160 HydrophobicContact CE-CD1 3.72Å; M37-F160 HydrophobicContact CE-CG 4Å; M37-F160 WeakPolarHBondContact CE-O 3.33Å |
| 38 | R | 84.6 | Confident | 85.2 | Confident | 115 Ų | 115 | 47.7 Ų | 47.7 | 43% | 0.434 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 178 | -78.8 | -175.6 | -87 | -104.5 | 0.8 | 113 | G34 T35 V36 L40 G41 Q42 N43 | G34-R38 WeakPolarHBondContact O-CB 3.33Å; G34-R38 VanDerWaalsContact O-CG 3.29Å; G34-R38 WeakPolarHBondContact O-CG 3.41Å; G34-R38 PolarHBondContact O-N 3.26Å; G34-R38 VanDerWaalsContact O-N 3.1Å; G34-R38 PolarHBondContact O-NE 3.31Å; G34-R38 VanDerWaalsContact O-NE 3.1Å; T35-R38 PolarHBondContact O-N 2.82Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 2.93Å; R38-L40 VanDerWaalsContact C-N 3.3Å; R38-L40 PolarHBondContact O-N 2.88Å; R38-G41 PolarHBondContact O-N 3.27Å; R38-G41 VanDerWaalsContact O-N 3.1Å; R38-Q42 WeakPolarHBondContact CA-O 3.38Å; R38-Q42 PolarHBondContact N-O 3.49Å; R38-N43 WeakPolarHBondContact CG-OD1 3.14Å |
| 39 | S | 79.6 | Confident | 85 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 171.6 | -85.3 | 0 | 0 | 0 | 0 | 112.6 | T35 V36 M37 G41 N112 | T35-S39 PolarHBondContact O-N 3.35Å; T35-S39 PolarHBondContact O-OG 3.47Å; V36-S39 WeakPolarHBondContact O-CA 3.45Å; V36-S39 VanDerWaalsContact O-CB 3.27Å; V36-S39 WeakPolarHBondContact O-CB 2.97Å; V36-S39 PolarHBondContact O-N 3.47Å; V36-S39 VanDerWaalsContact O-N 3.13Å; M37-S39 VanDerWaalsContact C-N 3.31Å; M37-S39 PolarHBondContact O-N 3.28Å; S39-G41 PolarHBondContact O-N 3.31Å; S39-N112 WeakPolarHBondContact CB-O 3.35Å; S39-N112 VanDerWaalsContact O-CB 3.26Å; S39-N112 WeakPolarHBondContact O-CB 3.43Å; S39-N112 PolarHBondContact OG-O 3.5Å |
| 40 | L | 73.1 | Confident | 84.9 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -5.2 | 175.6 | -67.6 | 168 | 0 | 0 | 0 | 113.6 | V36 M37 R38 Q42 V109 L113 V157 | V36-L40 HydrophobicContact CG1-CD1 4.1Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 3.42Å; M37-L40 WeakPolarHBondContact O-CB 3.46Å; M37-L40 PolarHBondContact O-N 3.43Å; M37-L40 VanDerWaalsContact O-N 3.08Å; R38-L40 VanDerWaalsContact C-N 3.3Å; R38-L40 PolarHBondContact O-N 2.88Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-V109 HydrophobicContact CD2-CG1 3.79Å; L40-L113 HydrophobicContact CD1-CD2 4.3Å; L40-L113 HydrophobicContact CD2-CD1 3.8Å; L40-L113 HydrophobicContact CD2-CD2 3.81Å; L40-L113 HydrophobicContact CD2-CG 3.91Å; L40-L113 HydrophobicContact CG-CD2 3.88Å; L40-L113 HydrophobicContact CG-CG 4.46Å; L40-V157 HydrophobicContact CD1-CG1 3.91Å; L40-V157 HydrophobicContact CD1-CG2 4.39Å; L40-V157 HydrophobicContact CD2-CG1 3.75Å; L40-V157 HydrophobicContact CD2-CG2 4.34Å; L40-V157 HydrophobicContact CG-CG1 4.46Å |
| 41 | G | 74.6 | Confident | 84.7 | Confident | 62 Ų | 62 | 52.8 Ų | 52.8 | 64% | 0.639 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 5.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | M37 R38 S39 | M37-G41 PolarHBondContact O-N 2.96Å; R38-G41 PolarHBondContact O-N 3.27Å; R38-G41 VanDerWaalsContact O-N 3.1Å; S39-G41 PolarHBondContact O-N 3.31Å |
| 42 | Q | 76.1 | Confident | 84.3 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | trans | -81.6 | 152.2 | 169.3 | -70.1 | -72.7 | -29.6 | 0 | 0 | 109.6 | M37 R38 L40 P44 T161 | M37-Q42 CarbonylContact C-O 3.22Å; M37-Q42 HydrophobicContact CB-CB 4.41Å; M37-Q42 WeakPolarHBondContact O-CB 3.4Å; M37-Q42 PolarHBondContact O-N 2.88Å; M37-Q42 HydrophobicContact SD-CB 3.79Å; M37-Q42 HydrophobicContact SD-CG 4.31Å; R38-Q42 WeakPolarHBondContact CA-O 3.38Å; R38-Q42 PolarHBondContact N-O 3.49Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-P44 VanDerWaalsContact C-CD 3.45Å; Q42-T161 HydrophobicContact CG-CG2 3.69Å | ||
| 43 | N | 83.5 | Confident | 84.1 | Confident | 128 Ų | 128 | 45.6 Ų | 45.6 | 68% | 0.684 | 26% | 0.259 | S | S | * | . | trans | -133.8 | 61 | -177.5 | -139.1 | 29.7 | 0 | 0 | 0 | 112 | R38 | R38-N43 WeakPolarHBondContact CG-OD1 3.14Š| ||
| 44 | P | 84.1 | Confident | 84.1 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | trans | -65.1 | 150 | -176.2 | 24.5 | -33.5 | 0 | 0 | 0 | 112.9 | M37 Q42 E48 L49 N164 | M37-P44 HydrophobicContact CB-CG 3.59Å; M37-P44 HydrophobicContact CG-CG 3.78Å; M37-P44 HydrophobicContact SD-CG 3.89Å; Q42-P44 VanDerWaalsContact C-CD 3.45Å; P44-E48 HydrophobicContact CB-CB 4.38Å; P44-L49 HydrophobicContact CB-CD1 4.48Å; P44-L49 HydrophobicContact CB-CD2 4.07Å; P44-L49 HydrophobicContact CB-CG 3.96Å; P44-L49 HydrophobicContact CG-CD1 4.19Å; P44-L49 HydrophobicContact CG-CD2 3.7Å; P44-L49 HydrophobicContact CG-CG 3.95Å; P44-N164 WeakPolarHBondContact CB-ND2 3.14Å; P44-N164 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 45 | T | 89.5 | Confident | 83.9 | Confident | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | trans | -74.7 | 157.3 | 167.6 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | A47 E48 L49 | T45-A47 PolarHBondContact O-N 2.73Å; T45-E48 WeakPolarHBondContact CB-OE2 3.31Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.32Å; T45-E48 PolarHBondContact N-OE2 2.81Å; T45-E48 PolarHBondContact O-N 3.39Å; T45-E48 VanDerWaalsContact OG1-CD 3.32Å; T45-E48 WeakPolarHBondContact OG1-CG 3.45Å; T45-E48 PolarHBondContact OG1-N 2.79Å; T45-E48 PolarHBondContact OG1-OE2 3.06Å; T45-L49 WeakPolarHBondContact O-CG 3.17Å; T45-L49 PolarHBondContact O-N 3.18Å | ||
| 46 | E | 88.7 | Confident | 83.6 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -56.8 | -33.7 | 175 | -160 | 88.6 | -167.4 | 0 | 0 | 111.7 | Q50 | E46-Q50 WeakPolarHBondContact O-CB 2.92Å; E46-Q50 PolarHBondContact O-N 2.94Å |
| 47 | A | 89.3 | Confident | 83.9 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T45 Q50 D51 | T45-A47 PolarHBondContact O-N 2.73Å; A47-Q50 PolarHBondContact O-N 3.29Å; A47-D51 PolarHBondContact O-N 3.48Å |
| 48 | E | 87.2 | Confident | 84.1 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 16% | 0.159 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.3 | -72.1 | 159.8 | 141.7 | 0 | 0 | 110.8 | P44 T45 Q50 D51 M52 | P44-E48 HydrophobicContact CB-CB 4.38Å; T45-E48 WeakPolarHBondContact CB-OE2 3.31Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.32Å; T45-E48 PolarHBondContact N-OE2 2.81Å; T45-E48 PolarHBondContact O-N 3.39Å; T45-E48 VanDerWaalsContact OG1-CD 3.32Å; T45-E48 WeakPolarHBondContact OG1-CG 3.45Å; T45-E48 PolarHBondContact OG1-N 2.79Å; T45-E48 PolarHBondContact OG1-OE2 3.06Å; E48-Q50 VanDerWaalsContact C-N 3.29Å; E48-Q50 PolarHBondContact O-N 3.34Å; E48-D51 PolarHBondContact O-N 3.12Å; E48-M52 WeakPolarHBondContact O-CG 3.38Å; E48-M52 PolarHBondContact O-N 2.69Å |
| 49 | L | 87.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 175.7 | -67.8 | 167.1 | 0 | 0 | 0 | 111.6 | T30 L33 M37 P44 T45 M52 I53 | T30-L49 HydrophobicContact CG2-CB 4.43Å; L33-L49 HydrophobicContact CB-CD2 4.25Å; L33-L49 HydrophobicContact CD2-CD2 3.73Å; L33-L49 HydrophobicContact CG-CD2 3.8Å; M37-L49 HydrophobicContact CG-CD2 4.2Å; P44-L49 HydrophobicContact CB-CD1 4.48Å; P44-L49 HydrophobicContact CB-CD2 4.07Å; P44-L49 HydrophobicContact CB-CG 3.96Å; P44-L49 HydrophobicContact CG-CD1 4.19Å; P44-L49 HydrophobicContact CG-CD2 3.7Å; P44-L49 HydrophobicContact CG-CG 3.95Å; T45-L49 WeakPolarHBondContact O-CG 3.17Å; T45-L49 PolarHBondContact O-N 3.18Å; L49-M52 PolarHBondContact O-N 3.25Å; L49-I53 WeakPolarHBondContact O-CG1 3.49Å; L49-I53 PolarHBondContact O-N 3.04Å |
| 50 | Q | 88.1 | Confident | 84.7 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 178.4 | -167.9 | 65.9 | 61.8 | 0 | 0 | 111.8 | T30 E46 A47 E48 M52 I53 N54 | T30-Q50 HydrophobicContact CG2-CB 4.45Å; E46-Q50 WeakPolarHBondContact O-CB 2.92Å; E46-Q50 PolarHBondContact O-N 2.94Å; A47-Q50 PolarHBondContact O-N 3.29Å; E48-Q50 VanDerWaalsContact C-N 3.29Å; E48-Q50 PolarHBondContact O-N 3.34Å; Q50-M52 VanDerWaalsContact C-N 3.33Å; Q50-I53 PolarHBondContact O-N 2.88Å; Q50-N54 PolarHBondContact NE2-OD1 2.89Å; Q50-N54 WeakPolarHBondContact O-CB 3.42Å; Q50-N54 PolarHBondContact O-N 3.41Å; Q50-N54 PolarHBondContact O-ND2 2.99Å; Q50-N54 PolarHBondContact O-OD1 3.39Å |
| 51 | D | 86.8 | Confident | 85.5 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.1 | -84.6 | -8.9 | 0 | 0 | 0 | 111.4 | A47 E48 I53 N54 E55 | A47-D51 PolarHBondContact O-N 3.48Å; E48-D51 PolarHBondContact O-N 3.12Å; D51-I53 PolarHBondContact O-N 3.48Å; D51-N54 PolarHBondContact O-N 2.92Å; D51-E55 PolarHBondContact O-N 3.38Å |
| 52 | M | 81.9 | Confident | 86.1 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.064 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.1 | -68.1 | 177.4 | 81.9 | 0 | 0 | 112.2 | L33 M37 E48 L49 Q50 F160 Q163 | L33-M52 HydrophobicContact CD2-CB 4.32Å; M37-M52 HydrophobicContact CE-CE 3.9Å; M37-M52 HydrophobicContact CE-SD 4.26Å; E48-M52 WeakPolarHBondContact O-CG 3.38Å; E48-M52 PolarHBondContact O-N 2.69Å; L49-M52 PolarHBondContact O-N 3.25Å; Q50-M52 VanDerWaalsContact C-N 3.33Å; M52-F160 HydrophobicContact CE-CB 4.39Å; M52-F160 HydrophobicContact CE-CD1 3.16Å; M52-F160 HydrophobicContact CE-CE1 3.62Å; M52-F160 HydrophobicContact CE-CG 4.11Å; M52-F160 HydrophobicContact SD-CD1 4.4Å; M52-Q163 HydrophobicContact CE-CB 3.62Å; M52-Q163 HydrophobicContact CE-CG 4.37Å; M52-Q163 HydrophobicContact SD-CB 4.42Å |
| 53 | I | 86.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 173.9 | -67.6 | -169.1 | 0 | 0 | 0 | 110.1 | T30 L33 L49 Q50 D51 E55 V56 D57 I64 | T30-I53 HydrophobicContact CG2-CD1 3.54Å; T30-I53 HydrophobicContact CG2-CG1 4.39Å; L33-I53 HydrophobicContact CD2-CG1 4.21Å; L49-I53 WeakPolarHBondContact O-CG1 3.49Å; L49-I53 PolarHBondContact O-N 3.04Å; Q50-I53 PolarHBondContact O-N 2.88Å; D51-I53 PolarHBondContact O-N 3.48Å; I53-E55 PolarHBondContact O-N 3.29Å; I53-E55 VanDerWaalsContact O-N 3.1Å; I53-V56 WeakPolarHBondContact O-CG2 3.45Å; I53-V56 PolarHBondContact O-N 2.94Å; I53-D57 HydrophobicContact CG2-CB 3.89Å; I53-D57 WeakPolarHBondContact O-CB 3.35Å; I53-D57 PolarHBondContact O-N 3.05Å; I53-I64 HydrophobicContact CB-CG1 4.28Å; I53-I64 HydrophobicContact CD1-CG1 4.43Å; I53-I64 HydrophobicContact CG1-CD1 3.93Å; I53-I64 HydrophobicContact CG1-CG1 3.96Å; I53-I64 HydrophobicContact CG2-CG1 3.94Å |
| 54 | N | 87 | Confident | 87.1 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -24.1 | -177.5 | -68.5 | -16.8 | 0 | 0 | 0 | 113.7 | Q50 D51 V56 | Q50-N54 PolarHBondContact NE2-OD1 2.89Å; Q50-N54 WeakPolarHBondContact O-CB 3.42Å; Q50-N54 PolarHBondContact O-N 3.41Å; Q50-N54 PolarHBondContact O-ND2 2.99Å; Q50-N54 PolarHBondContact O-OD1 3.39Å; D51-N54 PolarHBondContact O-N 2.92Å; N54-V56 PolarHBondContact O-N 3.24Å |
| 55 | E | 82.8 | Confident | 87.5 | Confident | 137 Ų | 137 | 55.2 Ų | 55.2 | 64% | 0.64 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -24 | 174.8 | -86.9 | -163.9 | 133.9 | 0 | 0 | 113.5 | D51 I53 Q163 | D51-E55 PolarHBondContact O-N 3.38Å; I53-E55 PolarHBondContact O-N 3.29Å; I53-E55 VanDerWaalsContact O-N 3.1Å; E55-Q163 PolarHBondContact OE2-NE2 3.39Å |
| 56 | V | 81.2 | Confident | 87.4 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -25.2 | -173.8 | -67.9 | 0 | 0 | 0 | 0 | 113.5 | I53 N54 A58 I64 M72 | I53-V56 WeakPolarHBondContact O-CG2 3.45Å; I53-V56 PolarHBondContact O-N 2.94Å; N54-V56 PolarHBondContact O-N 3.24Å; V56-A58 PolarHBondContact O-N 3.21Å; V56-I64 HydrophobicContact CG2-CD1 3.6Å; V56-I64 HydrophobicContact CG2-CG1 3.8Å; V56-I64 HydrophobicContact CG2-CG2 4.32Å; V56-M72 HydrophobicContact CB-CB 4.27Å; V56-M72 HydrophobicContact CG1-CB 3.59Å; V56-M72 HydrophobicContact CG1-CG 3.62Å; V56-M72 HydrophobicContact CG1-SD 4.03Å |
| 57 | D | 89 | Confident | 87.4 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | trans | -63.2 | 96.1 | 173.1 | 177.2 | 9.4 | 0 | 0 | 0 | 109.6 | I53 D59 G60 N61 G62 | I53-D57 HydrophobicContact CG2-CB 3.89Å; I53-D57 WeakPolarHBondContact O-CB 3.35Å; I53-D57 PolarHBondContact O-N 3.05Å; D57-D59 PolarHBondContact OD1-N 3.28Å; D57-G60 WeakPolarHBondContact OD1-CA 3.15Å; D57-G60 PolarHBondContact OD1-N 2.98Å; D57-G60 VanDerWaalsContact OD2-C 3.28Å; D57-G60 VanDerWaalsContact OD2-CA 3.29Å; D57-G60 WeakPolarHBondContact OD2-CA 3.02Å; D57-N61 PolarHBondContact OD1-N 3.11Å; D57-N61 PolarHBondContact OD2-N 3.07Å; D57-G62 WeakPolarHBondContact OD2-CA 3.43Å; D57-G62 PolarHBondContact OD2-N 3.08Å | ||
| 58 | A | 84.9 | Confident | 87.3 | Confident | 94 Ų | 94 | 49.1 Ų | 49.1 | 78% | 0.777 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -85.8 | -25.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V56 E68 | V56-A58 PolarHBondContact O-N 3.21Å; A58-E68 HydrophobicContact CB-CG 4.44Å; A58-E68 PolarHBondContact N-OE1 3.13Å |
| 59 | D | 88.8 | Confident | 87.2 | Confident | 97 Ų | 97 | 47.5 Ų | 47.5 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -90 | -15 | 178.9 | 81.5 | 2.2 | 0 | 0 | 0 | 113.5 | D57 N61 E68 | D57-D59 PolarHBondContact OD1-N 3.28Å; D59-N61 VanDerWaalsContact CG-ND2 3.28Å; D59-N61 WeakPolarHBondContact OD1-CB 3.37Å; D59-N61 PolarHBondContact OD1-N 2.91Å; D59-N61 PolarHBondContact OD1-ND2 2.68Å; D59-N61 PolarHBondContact OD1-OD1 3.22Å; D59-N61 PolarHBondContact OD2-ND2 3.32Å; D59-E68 PolarHBondContact N-OE1 2.99Å |
| 60 | G | 87.4 | Confident | 86.9 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | trans | 75 | 24.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D57 G62 | D57-G60 WeakPolarHBondContact OD1-CA 3.15Å; D57-G60 PolarHBondContact OD1-N 2.98Å; D57-G60 VanDerWaalsContact OD2-C 3.28Å; D57-G60 VanDerWaalsContact OD2-CA 3.29Å; D57-G60 WeakPolarHBondContact OD2-CA 3.02Å; G60-G62 VanDerWaalsContact C-N 3.31Å | ||
| 61 | N | 89.8 | Confident | 86.6 | Confident | 78 Ų | 78 | 49.7 Ų | 49.7 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80.8 | -11 | -178 | 72 | 22.5 | 0 | 0 | 0 | 113.3 | D57 D59 T63 | D57-N61 PolarHBondContact OD1-N 3.11Å; D57-N61 PolarHBondContact OD2-N 3.07Å; D59-N61 VanDerWaalsContact CG-ND2 3.28Å; D59-N61 WeakPolarHBondContact OD1-CB 3.37Å; D59-N61 PolarHBondContact OD1-N 2.91Å; D59-N61 PolarHBondContact OD1-ND2 2.68Å; D59-N61 PolarHBondContact OD1-OD1 3.22Å; D59-N61 PolarHBondContact OD2-ND2 3.32Å; N61-T63 WeakPolarHBondContact OD1-CA 3.44Å; N61-T63 PolarHBondContact OD1-N 3.15Å; N61-T63 PolarHBondContact OD1-O 3.03Å; N61-T63 PolarHBondContact OD1-OG1 2.6Å |
| 62 | G | 88.5 | Confident | 86.2 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 83.6 | 11.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D57 G60 | D57-G62 WeakPolarHBondContact OD2-CA 3.43Å; D57-G62 PolarHBondContact OD2-N 3.08Å; G60-G62 VanDerWaalsContact C-N 3.31Å |
| 63 | T | 91.1 | Very high | 85.8 | Confident | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.172 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -131.4 | 166.5 | 173.6 | 67.1 | 0 | 0 | 0 | 0 | 109.6 | I28 T29 N61 | I28-T63 WeakPolarHBondContact O-CA 3.43Å; T29-T63 HydrophobicContact CG2-CG2 3.87Å; N61-T63 WeakPolarHBondContact OD1-CA 3.44Å; N61-T63 PolarHBondContact OD1-N 3.15Å; N61-T63 PolarHBondContact OD1-O 3.03Å; N61-T63 PolarHBondContact OD1-OG1 2.6Å |
| 64 | I | 90 | Very high | 85.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114 | 176.5 | -52.5 | 174.3 | 0 | 0 | 0 | 108.1 | T27 I28 I53 V56 E68 F69 | T27-I64 CarbonylContact C-O 3.55Å; T27-I64 WeakPolarHBondContact CA-O 3.18Å; I28-I64 HydrophobicContact CB-CB 4.26Å; I28-I64 PolarHBondContact N-O 3.46Å; I28-I64 PolarHBondContact O-N 2.84Å; I53-I64 HydrophobicContact CB-CG1 4.28Å; I53-I64 HydrophobicContact CD1-CG1 4.43Å; I53-I64 HydrophobicContact CG1-CD1 3.93Å; I53-I64 HydrophobicContact CG1-CG1 3.96Å; I53-I64 HydrophobicContact CG2-CG1 3.94Å; V56-I64 HydrophobicContact CG2-CD1 3.6Å; V56-I64 HydrophobicContact CG2-CG1 3.8Å; V56-I64 HydrophobicContact CG2-CG2 4.32Å; I64-E68 HydrophobicContact CG2-CB 3.86Å; I64-F69 HydrophobicContact CG2-CB 3.97Å |
| 65 | D | 91.7 | Very high | 84.3 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 166.7 | 172.6 | 78.9 | 15.8 | 0 | 0 | 0 | 112.3 | T27 P67 E68 F69 | T27-D65 HydrophobicContact CG2-CB 4.46Å; D65-P67 WeakPolarHBondContact OD1-CB 3.46Å; D65-P67 WeakPolarHBondContact OD1-CD 3.08Å; D65-E68 PolarHBondContact N-OE2 3.45Å; D65-E68 PolarHBondContact O-N 2.91Å; D65-E68 WeakPolarHBondContact OD1-CB 3.43Å; D65-E68 WeakPolarHBondContact OD1-CG 3.39Å; D65-E68 PolarHBondContact OD1-N 3.2Å; D65-F69 WeakPolarHBondContact O-CB 3.34Å; D65-F69 PolarHBondContact O-N 3.32Å |
| 66 | F | 87.6 | Confident | 83.5 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 18% | 0.184 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -44.5 | -179.8 | -176.4 | -111 | 0 | 0 | 0 | 113.8 | I10 F13 K14 F17 E68 F69 L70 | I10-F66 HydrophobicContact CG2-CE1 3.96Å; I10-F66 HydrophobicContact CG2-CZ 3.98Å; F13-F66 HydrophobicContact CB-CE2 4.31Å; F13-F66 HydrophobicContact CB-CZ 4.42Å; K14-F66 HydrophobicContact CB-CE2 3.88Å; K14-F66 HydrophobicContact CB-CZ 3.88Å; K14-F66 HydrophobicContact CG-CD2 4.49Å; K14-F66 HydrophobicContact CG-CE2 3.91Å; K14-F66 HydrophobicContact CG-CZ 4Å; F17-F66 HydrophobicContact CB-CD2 3.96Å; F17-F66 HydrophobicContact CB-CE2 4.17Å; F17-F66 HydrophobicContact CD1-CD2 4.39Å; F17-F66 AromaticContact CD2-CD2 3.9Å; F17-F66 HydrophobicContact CD2-CD2 3.9Å; F17-F66 HydrophobicContact CE2-CB 4.32Å; F17-F66 HydrophobicContact CE2-CD2 4.5Å; F17-F66 AromaticContact CG-CD2 3.83Å; F17-F66 HydrophobicContact CG-CD2 3.83Å; F17-F66 HydrophobicContact CZ-CB 4.43Å; F66-E68 PolarHBondContact O-N 3.45Å; F66-F69 PolarHBondContact O-N 2.62Å; F66-L70 HydrophobicContact CD1-CD1 4Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CG 4.18Å; F66-L70 HydrophobicContact CE2-CG 4.36Å; F66-L70 HydrophobicContact CZ-CD1 3.92Å; F66-L70 HydrophobicContact CZ-CD2 4.27Å; F66-L70 HydrophobicContact CZ-CG 4.09Å; F66-L70 WeakPolarHBondContact O-CG 3.2Å; F66-L70 PolarHBondContact O-N 2.71Å |
| 67 | P | 87.5 | Confident | 82.6 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 49% | 0.494 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.4 | -41.7 | 170.3 | -25.9 | 30 | 0 | 0 | 0 | 115.6 | D65 L70 T71 | D65-P67 WeakPolarHBondContact OD1-CB 3.46Å; D65-P67 WeakPolarHBondContact OD1-CD 3.08Å; P67-L70 PolarHBondContact O-N 3.4Å; P67-T71 WeakPolarHBondContact O-CB 3.24Å; P67-T71 PolarHBondContact O-N 3.3Å; P67-T71 PolarHBondContact O-OG1 2.74Å |
| 68 | E | 88.6 | Confident | 81.2 | Confident | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 177.8 | -72.8 | 169 | 153.2 | 0 | 0 | 110.7 | A58 D59 I64 D65 F66 L70 T71 M72 | A58-E68 HydrophobicContact CB-CG 4.44Å; A58-E68 PolarHBondContact N-OE1 3.13Å; D59-E68 PolarHBondContact N-OE1 2.99Å; I64-E68 HydrophobicContact CG2-CB 3.86Å; D65-E68 PolarHBondContact N-OE2 3.45Å; D65-E68 PolarHBondContact O-N 2.91Å; D65-E68 WeakPolarHBondContact OD1-CB 3.43Å; D65-E68 WeakPolarHBondContact OD1-CG 3.39Å; D65-E68 PolarHBondContact OD1-N 3.2Å; F66-E68 PolarHBondContact O-N 3.45Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.65Å; E68-T71 WeakPolarHBondContact O-CB 3.47Å; E68-T71 PolarHBondContact O-N 3.43Å; E68-T71 VanDerWaalsContact O-N 3.1Å; E68-M72 WeakPolarHBondContact O-CB 2.97Å; E68-M72 PolarHBondContact O-N 2.69Å |
| 69 | F | 83.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 172.8 | -174.7 | -95.6 | 0 | 0 | 0 | 111.6 | A16 F17 F20 I28 I64 D65 F66 T71 M72 M73 T156 | A16-F69 HydrophobicContact CB-CE1 4.37Å; A16-F69 HydrophobicContact CB-CZ 4.39Å; F17-F69 HydrophobicContact CB-CD1 4.36Å; F17-F69 HydrophobicContact CB-CE1 4.34Å; F17-F69 HydrophobicContact CD2-CB 3.72Å; F17-F69 AromaticContact CD2-CD1 3.91Å; F17-F69 HydrophobicContact CD2-CD1 3.91Å; F17-F69 HydrophobicContact CD2-CD2 4.04Å; F17-F69 AromaticContact CD2-CG 3.63Å; F17-F69 HydrophobicContact CD2-CG 3.63Å; F17-F69 HydrophobicContact CE2-CB 3.9Å; F17-F69 HydrophobicContact CE2-CG 4.24Å; F20-F69 HydrophobicContact CD2-CE2 4.44Å; I28-F69 HydrophobicContact CD1-CD2 3.84Å; I28-F69 HydrophobicContact CD1-CE2 4.16Å; I64-F69 HydrophobicContact CG2-CB 3.97Å; D65-F69 WeakPolarHBondContact O-CB 3.34Å; D65-F69 PolarHBondContact O-N 3.32Å; F66-F69 PolarHBondContact O-N 2.62Å; F69-T71 VanDerWaalsContact C-N 3.31Å; F69-T71 PolarHBondContact O-N 3.03Å; F69-M72 HydrophobicContact CD2-CE 3.42Å; F69-M72 VanDerWaalsContact CD2-CE 3.42Å; F69-M72 HydrophobicContact CE2-CE 3.53Å; F69-M72 HydrophobicContact CG-CE 4.13Å; F69-M72 HydrophobicContact CZ-CE 4.31Å; F69-M72 WeakPolarHBondContact O-CB 2.88Å; F69-M72 PolarHBondContact O-N 2.72Å; F69-M73 HydrophobicContact CD1-CG 4.05Å; F69-M73 HydrophobicContact CE1-CE 3.97Å; F69-M73 HydrophobicContact CE1-CG 3.81Å; F69-M73 HydrophobicContact CZ-CE 3.83Å; F69-M73 HydrophobicContact CZ-CG 4.09Å; F69-M73 HydrophobicContact CZ-SD 4.38Å; F69-M73 WeakPolarHBondContact O-CB 3.18Å; F69-M73 WeakPolarHBondContact O-CG 3.35Å; F69-M73 PolarHBondContact O-N 2.85Å; F69-T156 HydrophobicContact CE2-CG2 3.98Å; F69-T156 HydrophobicContact CZ-CG2 3.84Å |
| 70 | L | 82.2 | Confident | 78.1 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 174 | -78.8 | 175 | 0 | 0 | 0 | 111.9 | L5 F13 F66 P67 E68 M73 A74 | L5-L70 HydrophobicContact CD1-CD2 3.97Å; F13-L70 HydrophobicContact CB-CD2 3.52Å; F13-L70 HydrophobicContact CD1-CD2 4.42Å; F13-L70 HydrophobicContact CD2-CD2 3.36Å; F13-L70 HydrophobicContact CE2-CD2 4.19Å; F13-L70 HydrophobicContact CG-CD2 3.52Å; F66-L70 HydrophobicContact CD1-CD1 4Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CG 4.18Å; F66-L70 HydrophobicContact CE2-CG 4.36Å; F66-L70 HydrophobicContact CZ-CD1 3.92Å; F66-L70 HydrophobicContact CZ-CD2 4.27Å; F66-L70 HydrophobicContact CZ-CG 4.09Å; F66-L70 WeakPolarHBondContact O-CG 3.2Å; F66-L70 PolarHBondContact O-N 2.71Å; P67-L70 PolarHBondContact O-N 3.4Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.65Å; L70-M73 PolarHBondContact O-N 2.82Å; L70-A74 WeakPolarHBondContact O-CB 3.3Å; L70-A74 PolarHBondContact O-N 3.19Å |
| 71 | T | 80.6 | Confident | 76.6 | Confident | 90 Ų | 90 | 54 Ų | 54 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 179.3 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | P67 E68 F69 R75 | P67-T71 WeakPolarHBondContact O-CB 3.24Å; P67-T71 PolarHBondContact O-N 3.3Å; P67-T71 PolarHBondContact O-OG1 2.74Å; E68-T71 WeakPolarHBondContact O-CB 3.47Å; E68-T71 PolarHBondContact O-N 3.43Å; E68-T71 VanDerWaalsContact O-N 3.1Å; F69-T71 VanDerWaalsContact C-N 3.31Å; F69-T71 PolarHBondContact O-N 3.03Å; T71-R75 VanDerWaalsContact O-CB 3.26Å; T71-R75 WeakPolarHBondContact O-CB 3.05Å; T71-R75 PolarHBondContact O-N 3.2Å |
| 72 | M | 78.8 | Confident | 75.1 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.7 | -52.5 | 172.8 | 175.6 | -168.7 | 68.7 | 0 | 0 | 110.9 | V56 E68 F69 R75 K76 F160 | V56-M72 HydrophobicContact CB-CB 4.27Å; V56-M72 HydrophobicContact CG1-CB 3.59Å; V56-M72 HydrophobicContact CG1-CG 3.62Å; V56-M72 HydrophobicContact CG1-SD 4.03Å; E68-M72 WeakPolarHBondContact O-CB 2.97Å; E68-M72 PolarHBondContact O-N 2.69Å; F69-M72 HydrophobicContact CD2-CE 3.42Å; F69-M72 VanDerWaalsContact CD2-CE 3.42Å; F69-M72 HydrophobicContact CE2-CE 3.53Å; F69-M72 HydrophobicContact CG-CE 4.13Å; F69-M72 HydrophobicContact CZ-CE 4.31Å; F69-M72 WeakPolarHBondContact O-CB 2.88Å; F69-M72 PolarHBondContact O-N 2.72Å; M72-R75 PolarHBondContact O-N 2.9Å; M72-K76 WeakPolarHBondContact O-CB 3.34Å; M72-K76 PolarHBondContact O-N 2.98Å; M72-F160 HydrophobicContact CE-CE2 3.87Å; M72-F160 HydrophobicContact CE-CZ 4.28Å; M72-F160 HydrophobicContact SD-CE2 4.04Å; M72-F160 HydrophobicContact SD-CZ 4Å |
| 73 | M | 73.7 | Confident | 74 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | -177 | -70.3 | -69.3 | -107.6 | 0 | 0 | 112.1 | F13 F69 L70 R75 K76 M77 T152 T156 I159 | F13-M73 HydrophobicContact CD1-CB 4.1Å; F13-M73 HydrophobicContact CD1-CE 4Å; F13-M73 HydrophobicContact CD1-CG 4.2Å; F13-M73 HydrophobicContact CE1-CB 3.64Å; F13-M73 HydrophobicContact CE1-CE 3.94Å; F13-M73 HydrophobicContact CE1-CG 4.11Å; F13-M73 HydrophobicContact CZ-CB 4.26Å; F69-M73 HydrophobicContact CD1-CG 4.05Å; F69-M73 HydrophobicContact CE1-CE 3.97Å; F69-M73 HydrophobicContact CE1-CG 3.81Å; F69-M73 HydrophobicContact CZ-CE 3.83Å; F69-M73 HydrophobicContact CZ-CG 4.09Å; F69-M73 HydrophobicContact CZ-SD 4.38Å; F69-M73 WeakPolarHBondContact O-CB 3.18Å; F69-M73 WeakPolarHBondContact O-CG 3.35Å; F69-M73 PolarHBondContact O-N 2.85Å; L70-M73 PolarHBondContact O-N 2.82Å; M73-R75 VanDerWaalsContact C-N 3.27Å; M73-R75 PolarHBondContact O-N 2.57Å; M73-K76 PolarHBondContact O-N 2.76Å; M73-M77 WeakPolarHBondContact O-CB 3.47Å; M73-M77 WeakPolarHBondContact O-CG 3.26Å; M73-M77 PolarHBondContact O-N 3.37Å; M73-T152 HydrophobicContact CE-CG2 3.34Å; M73-T156 HydrophobicContact CE-CG2 3.9Å; M73-T156 WeakPolarHBondContact CE-OG1 3.48Å; M73-T156 HydrophobicContact SD-CG2 4.26Å; M73-I159 HydrophobicContact SD-CD1 4.24Å |
| 74 | A | 72.2 | Confident | 72.8 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -32.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L70 | L70-A74 WeakPolarHBondContact O-CB 3.3Å; L70-A74 PolarHBondContact O-N 3.19Å |
| 75 | R | 70.6 | Confident | 71.4 | Confident | 184 Ų | 184 | 65.7 Ų | 65.7 | 69% | 0.694 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -74.9 | -46.8 | 177.6 | -154.3 | 179.2 | -165.7 | -176.5 | 2.2 | 110.8 | T71 M72 M73 K78 | T71-R75 VanDerWaalsContact O-CB 3.26Å; T71-R75 WeakPolarHBondContact O-CB 3.05Å; T71-R75 PolarHBondContact O-N 3.2Å; M72-R75 PolarHBondContact O-N 2.9Å; M73-R75 VanDerWaalsContact C-N 3.27Å; M73-R75 PolarHBondContact O-N 2.57Å; R75-K78 WeakPolarHBondContact O-CB 3.01Å; R75-K78 PolarHBondContact O-N 2.79Å |
| 76 | K | 65.6 | Low | 70.2 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 22% | 0.222 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 179.1 | -79.6 | -73.1 | -167 | 176.7 | 0 | 113.1 | M72 M73 K78 D79 T80 E85 I159 | M72-K76 WeakPolarHBondContact O-CB 3.34Å; M72-K76 PolarHBondContact O-N 2.98Å; M73-K76 PolarHBondContact O-N 2.76Å; K76-K78 PolarHBondContact O-N 2.85Å; K76-D79 PolarHBondContact O-N 3.45Å; K76-T80 WeakPolarHBondContact O-CB 3.41Å; K76-T80 PolarHBondContact O-N 3.45Å; K76-T80 PolarHBondContact O-OG1 3Å; K76-E85 IonicContact NZ-OE1 3.41Å; K76-E85 PolarHBondContact NZ-OE1 3.15Å; K76-I159 HydrophobicContact CB-CD1 3.36Å; K76-I159 HydrophobicContact CB-CG1 4.02Å; K76-I159 HydrophobicContact CD-CD1 4.34Å; K76-I159 HydrophobicContact CD-CG1 4.08Å; K76-I159 HydrophobicContact CD-CG2 4.28Å; K76-I159 HydrophobicContact CG-CD1 3.76Å; K76-I159 HydrophobicContact CG-CG1 4.03Å; K76-I159 HydrophobicContact CG-CG2 4.14Å |
| 77 | M | 61.7 | Low | 69.4 | Low | 29 Ų | 29 | 69.6 Ų | 69.6 | 14% | 0.143 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.7 | -24.3 | 170.2 | -89.6 | -172 | 148.3 | 0 | 0 | 113.7 | F13 M73 L155 | F13-M77 HydrophobicContact CZ-CE 4.12Å; F13-M77 HydrophobicContact CZ-SD 3.85Å; M73-M77 WeakPolarHBondContact O-CB 3.47Å; M73-M77 WeakPolarHBondContact O-CG 3.26Å; M73-M77 PolarHBondContact O-N 3.37Å; M77-L155 HydrophobicContact CB-CD2 4.24Å; M77-L155 HydrophobicContact CG-CD2 3.6Å |
| 78 | K | 59.4 | Low | 68.6 | Low | 174 Ų | 174 | 69.3 Ų | 69.3 | 76% | 0.757 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -86.9 | -23.4 | 173.9 | -96.3 | -176.1 | 171.1 | -178.9 | 0 | 114.8 | R75 K76 | R75-K78 WeakPolarHBondContact O-CB 3.01Å; R75-K78 PolarHBondContact O-N 2.79Å; K76-K78 PolarHBondContact O-N 2.85Å |
| 79 | D | 55.1 | Low | 67.7 | Low | 98 Ų | 98 | 69 Ų | 69 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -98.2 | -26.6 | -177.8 | -81.9 | -39.4 | 0 | 0 | 0 | 112.6 | K76 D81 S82 | K76-D79 PolarHBondContact O-N 3.45Å; D79-D81 PolarHBondContact O-N 3.43Å; D79-S82 PolarHBondContact O-N 2.87Å; D79-S82 PolarHBondContact O-OG 3.45Å; D79-S82 VanDerWaalsContact O-OG 3.07Å |
| 80 | T | 54.8 | Low | 67.2 | Low | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 9 | -174.9 | -46.3 | 0 | 0 | 0 | 0 | 114.4 | K76 S82 E85 I86 L155 | K76-T80 WeakPolarHBondContact O-CB 3.41Å; K76-T80 PolarHBondContact O-N 3.45Å; K76-T80 PolarHBondContact O-OG1 3Å; T80-S82 PolarHBondContact O-N 2.75Å; T80-E85 WeakPolarHBondContact CA-OE2 3.43Å; T80-E85 HydrophobicContact CG2-CB 4.18Å; T80-E85 PolarHBondContact OG1-OE2 3.5Å; T80-I86 HydrophobicContact CG2-CG1 4.4Å; T80-I86 WeakPolarHBondContact O-CD1 3.29Å; T80-I86 WeakPolarHBondContact O-CG1 3.31Å; T80-L155 HydrophobicContact CG2-CD1 3.6Å; T80-L155 HydrophobicContact CG2-CD2 4.4Å; T80-L155 HydrophobicContact CG2-CG 3.83Å |
| 81 | D | 55.2 | Low | 66.9 | Low | 127 Ų | 127 | 76.7 Ų | 76.7 | 68% | 0.679 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -0.6 | 165 | -70.8 | -26.4 | 0 | 0 | 0 | 112.3 | D79 E83 | D79-D81 PolarHBondContact O-N 3.43Å; D81-E83 PolarHBondContact O-N 3.21Å |
| 82 | S | 59.1 | Low | 66.6 | Low | 64 Ų | 64 | 73 Ų | 73 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | trans | -73.4 | 112.1 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | D79 T80 E84 E85 I86 | D79-S82 PolarHBondContact O-N 2.87Å; D79-S82 PolarHBondContact O-OG 3.45Å; D79-S82 VanDerWaalsContact O-OG 3.07Å; T80-S82 PolarHBondContact O-N 2.75Å; S82-E84 PolarHBondContact O-N 3.31Å; S82-E85 PolarHBondContact O-N 2.91Å; S82-I86 PolarHBondContact O-N 3.07Å | ||
| 83 | E | 64.5 | Low | 66.5 | Low | 120 Ų | 120 | 72.4 Ų | 72.4 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -44 | -37 | 177.2 | -165.1 | -173.6 | 123.9 | 0 | 0 | 113 | D81 R87 Y139 | D81-E83 PolarHBondContact O-N 3.21Å; E83-R87 WeakPolarHBondContact O-CB 3.37Å; E83-R87 PolarHBondContact O-N 3.13Å; E83-R87 IonicContact OE1-CZ 3.63Å; E83-R87 IonicContact OE1-NH1 3.86Å; E83-R87 IonicContact OE1-NH2 2.68Å; E83-R87 PolarHBondContact OE1-NH2 3.31Å; E83-Y139 WeakPolarHBondContact CA-OH 3.22Å; E83-Y139 HydrophobicContact CG-CE1 4.2Å; E83-Y139 WeakPolarHBondContact CG-OH 3.27Å; E83-Y139 PolarHBondContact O-OH 3.14Å |
| 84 | E | 65.3 | Low | 66.9 | Low | 153 Ų | 153 | 72.9 Ų | 72.9 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 176.4 | -80.5 | -175.9 | 139.1 | 0 | 0 | 114.1 | S82 R87 E88 | S82-E84 PolarHBondContact O-N 3.31Å; E84-R87 PolarHBondContact O-N 2.8Å; E84-E88 WeakPolarHBondContact O-CG 3.34Å; E84-E88 PolarHBondContact O-N 3.4Å |
| 85 | E | 62.4 | Low | 67.3 | Low | 38 Ų | 38 | 76.8 Ų | 76.8 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 179.9 | -75.1 | -161.4 | 153.1 | 0 | 0 | 110.5 | K76 T80 S82 R87 E88 A89 L162 | K76-E85 IonicContact NZ-OE1 3.41Å; K76-E85 PolarHBondContact NZ-OE1 3.15Å; T80-E85 WeakPolarHBondContact CA-OE2 3.43Å; T80-E85 HydrophobicContact CG2-CB 4.18Å; T80-E85 PolarHBondContact OG1-OE2 3.5Å; S82-E85 PolarHBondContact O-N 2.91Å; E85-R87 VanDerWaalsContact C-N 3.3Å; E85-R87 PolarHBondContact O-N 3.07Å; E85-E88 PolarHBondContact O-N 2.77Å; E85-A89 WeakPolarHBondContact O-CB 3.41Å; E85-A89 PolarHBondContact O-N 2.96Å; E85-L162 HydrophobicContact CB-CD1 3.51Å; E85-L162 HydrophobicContact CG-CD1 3.69Å; E85-L162 HydrophobicContact CG-CD2 4.39Å; E85-L162 WeakPolarHBondContact O-CD1 3.26Å |
| 86 | I | 65.7 | Low | 68 | Low | 61 Ų | 61 | 73 Ų | 73 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.3 | -55.6 | 178.2 | 0 | 0 | 0 | 110.1 | T80 S82 E88 A89 F90 Y139 | T80-I86 HydrophobicContact CG2-CG1 4.4Å; T80-I86 WeakPolarHBondContact O-CD1 3.29Å; T80-I86 WeakPolarHBondContact O-CG1 3.31Å; S82-I86 PolarHBondContact O-N 3.07Å; I86-E88 PolarHBondContact O-N 2.97Å; I86-A89 VanDerWaalsContact O-CB 3.31Å; I86-A89 WeakPolarHBondContact O-CB 3.45Å; I86-A89 PolarHBondContact O-N 3.31Å; I86-F90 HydrophobicContact CG2-CD2 3.96Å; I86-F90 HydrophobicContact CG2-CE2 4.01Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 3.11Å; I86-Y139 HydrophobicContact CB-CE2 4.01Å; I86-Y139 HydrophobicContact CG2-CD2 4.29Å; I86-Y139 HydrophobicContact CG2-CE2 3.7Å |
| 87 | R | 70.6 | Confident | 68.7 | Low | 105 Ų | 105 | 73.3 Ų | 73.3 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | -179.9 | -172.2 | -179.1 | -70.9 | 140.2 | 0.4 | 112.6 | E83 E84 E85 F90 R91 Y139 | E83-R87 WeakPolarHBondContact O-CB 3.37Å; E83-R87 PolarHBondContact O-N 3.13Å; E83-R87 IonicContact OE1-CZ 3.63Å; E83-R87 IonicContact OE1-NH1 3.86Å; E83-R87 IonicContact OE1-NH2 2.68Å; E83-R87 PolarHBondContact OE1-NH2 3.31Å; E84-R87 PolarHBondContact O-N 2.8Å; E85-R87 VanDerWaalsContact C-N 3.3Å; E85-R87 PolarHBondContact O-N 3.07Å; R87-F90 PolarHBondContact O-N 3.5Å; R87-R91 PolarHBondContact O-N 2.99Å; R87-Y139 HydrophobicContact CB-CE2 3.8Å; R87-Y139 HydrophobicContact CG-CE2 4.46Å |
| 88 | E | 70.7 | Confident | 69.8 | Low | 69 Ų | 69 | 75.2 Ų | 75.2 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 175.2 | -69.3 | -113.1 | 128.7 | 0 | 0 | 111.5 | E84 E85 I86 F90 R91 L162 | E84-E88 WeakPolarHBondContact O-CG 3.34Å; E84-E88 PolarHBondContact O-N 3.4Å; E85-E88 PolarHBondContact O-N 2.77Å; I86-E88 PolarHBondContact O-N 2.97Å; E88-F90 VanDerWaalsContact C-N 3.31Å; E88-F90 PolarHBondContact O-N 3.31Å; E88-R91 WeakPolarHBondContact O-CB 2.85Å; E88-R91 PolarHBondContact O-N 3.36Å; E88-L162 HydrophobicContact CB-CD2 3.33Å; E88-L162 HydrophobicContact CB-CG 3.85Å; E88-L162 HydrophobicContact CG-CD2 3.55Å; E88-L162 WeakPolarHBondContact OE2-CD2 3.29Å |
| 89 | A | 68.8 | Low | 70.8 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E85 I86 R91 V92 F93 A158 | E85-A89 WeakPolarHBondContact O-CB 3.41Å; E85-A89 PolarHBondContact O-N 2.96Å; I86-A89 VanDerWaalsContact O-CB 3.31Å; I86-A89 WeakPolarHBondContact O-CB 3.45Å; I86-A89 PolarHBondContact O-N 3.31Å; A89-R91 VanDerWaalsContact C-N 3.27Å; A89-R91 PolarHBondContact O-N 3.06Å; A89-V92 VanDerWaalsContact O-CB 3.27Å; A89-V92 WeakPolarHBondContact O-CB 3.37Å; A89-V92 WeakPolarHBondContact O-CG2 3.31Å; A89-V92 PolarHBondContact O-N 2.94Å; A89-F93 WeakPolarHBondContact O-CD2 3.35Å; A89-A158 HydrophobicContact CB-CB 3.18Å |
| 90 | F | 74 | Confident | 72.2 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 178.4 | -100.6 | -102.9 | 0 | 0 | 0 | 111.4 | I86 R87 E88 V92 F93 D94 I101 V137 Y139 | I86-F90 HydrophobicContact CG2-CD2 3.96Å; I86-F90 HydrophobicContact CG2-CE2 4.01Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 3.11Å; R87-F90 PolarHBondContact O-N 3.5Å; E88-F90 VanDerWaalsContact C-N 3.31Å; E88-F90 PolarHBondContact O-N 3.31Å; F90-V92 PolarHBondContact O-N 3.33Å; F90-V92 VanDerWaalsContact O-N 3.1Å; F90-F93 PolarHBondContact O-N 2.77Å; F90-D94 WeakPolarHBondContact O-CB 3.46Å; F90-D94 PolarHBondContact O-N 2.86Å; F90-I101 HydrophobicContact CD1-CD1 3.41Å; F90-I101 VanDerWaalsContact CD1-CD1 3.41Å; F90-I101 HydrophobicContact CD1-CG1 3.8Å; F90-I101 HydrophobicContact CE1-CD1 3.48Å; F90-I101 VanDerWaalsContact CE1-CD1 3.48Å; F90-I101 HydrophobicContact CE1-CG1 3.97Å; F90-I101 HydrophobicContact CG-CD1 4.05Å; F90-I101 HydrophobicContact CZ-CD1 4.18Å; F90-V137 HydrophobicContact CE1-CG1 4.3Å; F90-V137 HydrophobicContact CZ-CG1 4.14Å; F90-Y139 AromaticContact CD2-CD2 3.97Å; F90-Y139 HydrophobicContact CD2-CD2 3.97Å; F90-Y139 HydrophobicContact CE2-CD2 4.28Å; F90-Y139 HydrophobicContact CG-CD2 4.11Å |
| 91 | R | 75.6 | Confident | 73.5 | Confident | 168 Ų | 168 | 67 Ų | 67 | 63% | 0.634 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.9 | -19.4 | 176.8 | -76.7 | -179 | 168.5 | 173.1 | -1.7 | 114.8 | R87 E88 A89 F93 | R87-R91 PolarHBondContact O-N 2.99Å; E88-R91 WeakPolarHBondContact O-CB 2.85Å; E88-R91 PolarHBondContact O-N 3.36Å; A89-R91 VanDerWaalsContact C-N 3.27Å; A89-R91 PolarHBondContact O-N 3.06Å; R91-F93 VanDerWaalsContact C-N 3.34Å |
| 92 | V | 74.2 | Confident | 75 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 175.1 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | A89 F90 V157 T161 | A89-V92 VanDerWaalsContact O-CB 3.27Å; A89-V92 WeakPolarHBondContact O-CB 3.37Å; A89-V92 WeakPolarHBondContact O-CG2 3.31Å; A89-V92 PolarHBondContact O-N 2.94Å; F90-V92 PolarHBondContact O-N 3.33Å; F90-V92 VanDerWaalsContact O-N 3.1Å; V92-V157 HydrophobicContact CG1-CG1 4Å; V92-T161 HydrophobicContact CB-CG2 4.41Å; V92-T161 HydrophobicContact CG1-CG2 4.26Å; V92-T161 HydrophobicContact CG2-CG2 3.26Å |
| 93 | F | 77.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -87.7 | -50.3 | -179.2 | -68.6 | -95.1 | 0 | 0 | 0 | 112 | A89 F90 R91 K95 I101 E105 L106 V109 F153 F154 V157 | A89-F93 WeakPolarHBondContact O-CD2 3.35Å; F90-F93 PolarHBondContact O-N 2.77Å; R91-F93 VanDerWaalsContact C-N 3.34Å; F93-K95 PolarHBondContact O-N 2.58Å; F93-I101 HydrophobicContact CB-CD1 3.48Å; F93-I101 VanDerWaalsContact CB-CD1 3.48Å; F93-I101 HydrophobicContact CB-CG1 3.82Å; F93-I101 HydrophobicContact CB-CG2 4.02Å; F93-I101 HydrophobicContact CG-CD1 4.13Å; F93-E105 WeakPolarHBondContact O-CB 3.47Å; F93-L106 HydrophobicContact CD1-CD1 4.05Å; F93-L106 HydrophobicContact CE1-CD1 4.06Å; F93-V109 HydrophobicContact CD1-CB 3.8Å; F93-V109 HydrophobicContact CD1-CG1 3.83Å; F93-V109 HydrophobicContact CD1-CG2 3.69Å; F93-V109 HydrophobicContact CE1-CB 3.85Å; F93-V109 HydrophobicContact CE1-CG1 3.44Å; F93-V109 VanDerWaalsContact CE1-CG1 3.44Å; F93-V109 HydrophobicContact CE1-CG2 4.21Å; F93-V109 HydrophobicContact CG-CG2 4.25Å; F93-V109 HydrophobicContact CZ-CG1 4.03Å; F93-F153 HydrophobicContact CE1-CE1 4.36Å; F93-F153 HydrophobicContact CZ-CD1 4.34Å; F93-F153 HydrophobicContact CZ-CE1 4.27Å; F93-F154 HydrophobicContact CB-CE1 4.44Å; F93-F154 HydrophobicContact CD1-CE1 4.26Å; F93-F154 HydrophobicContact CD1-CZ 4.02Å; F93-F154 AromaticContact CD2-CD1 3.9Å; F93-F154 HydrophobicContact CD2-CD1 3.9Å; F93-F154 AromaticContact CD2-CE1 3.4Å; F93-F154 HydrophobicContact CD2-CE1 3.4Å; F93-F154 VanDerWaalsContact CD2-CE1 3.4Å; F93-F154 HydrophobicContact CD2-CZ 4.01Å; F93-F154 HydrophobicContact CE1-CE1 4.37Å; F93-F154 HydrophobicContact CE1-CE2 4.37Å; F93-F154 HydrophobicContact CE1-CZ 4.1Å; F93-F154 AromaticContact CE2-CD1 3.62Å; F93-F154 HydrophobicContact CE2-CD1 3.62Å; F93-F154 AromaticContact CE2-CE1 3.55Å; F93-F154 HydrophobicContact CE2-CE1 3.55Å; F93-F154 HydrophobicContact CE2-CG 4.23Å; F93-F154 HydrophobicContact CE2-CZ 4.11Å; F93-F154 AromaticContact CG-CE1 3.8Å; F93-F154 HydrophobicContact CG-CE1 3.8Å; F93-F154 AromaticContact CG-CZ 3.97Å; F93-F154 HydrophobicContact CG-CZ 3.97Å; F93-F154 HydrophobicContact CZ-CD1 4.16Å; F93-F154 HydrophobicContact CZ-CD2 4.47Å; F93-F154 HydrophobicContact CZ-CE1 4.04Å; F93-F154 HydrophobicContact CZ-CE2 4.36Å; F93-F154 HydrophobicContact CZ-CG 4.38Å; F93-F154 HydrophobicContact CZ-CZ 4.15Å; F93-V157 HydrophobicContact CE2-CB 4.07Å; F93-V157 HydrophobicContact CE2-CG1 3.66Å; F93-V157 HydrophobicContact CZ-CB 4.09Å; F93-V157 HydrophobicContact CZ-CG1 3.89Å; F93-V157 HydrophobicContact CZ-CG2 4.27Å |
| 94 | D | 83.2 | Confident | 77.2 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | trans | -69.5 | 90.9 | 175.5 | 176.4 | 12.2 | 0 | 0 | 0 | 109.8 | F90 G97 N98 G99 I101 | F90-D94 WeakPolarHBondContact O-CB 3.46Å; F90-D94 PolarHBondContact O-N 2.86Å; D94-G97 VanDerWaalsContact OD1-CA 3.26Å; D94-G97 WeakPolarHBondContact OD1-CA 3.46Å; D94-G97 PolarHBondContact OD1-N 2.68Å; D94-G97 VanDerWaalsContact OD2-C 3.24Å; D94-G97 VanDerWaalsContact OD2-CA 3.25Å; D94-G97 WeakPolarHBondContact OD2-CA 3.49Å; D94-N98 PolarHBondContact OD1-N 3.04Å; D94-N98 VanDerWaalsContact OD1-N 3.14Å; D94-N98 PolarHBondContact OD2-N 2.85Å; D94-G99 WeakPolarHBondContact OD2-CA 3.23Å; D94-G99 PolarHBondContact OD2-N 3.44Å; D94-I101 HydrophobicContact CB-CG1 4.24Å | ||
| 95 | K | 79.2 | Confident | 78.2 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -79.7 | -28.7 | -175.4 | -78.9 | -69.5 | 178.2 | -163.1 | 0 | 111.7 | F93 E105 | F93-K95 PolarHBondContact O-N 2.58Å; K95-E105 PolarHBondContact N-OE1 2.73Å |
| 96 | D | 84.7 | Confident | 79.1 | Confident | 104 Ų | 104 | 50.1 Ų | 50.1 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -88.1 | -11.9 | 179.1 | 73.2 | 11.5 | 0 | 0 | 0 | 112.9 | N98 E105 | D96-N98 VanDerWaalsContact C-N 3.31Å; D96-N98 WeakPolarHBondContact OD1-CB 2.91Å; D96-N98 PolarHBondContact OD1-N 3.11Å; D96-N98 PolarHBondContact OD1-ND2 3.19Å; D96-N98 PolarHBondContact OD1-OD1 3.3Å; D96-N98 PolarHBondContact OD2-ND2 3.2Å; D96-E105 PolarHBondContact N-OE1 2.86Å |
| 97 | G | 81.4 | Confident | 79.9 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | trans | 72.6 | 24.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D94 G99 | D94-G97 VanDerWaalsContact OD1-CA 3.26Å; D94-G97 WeakPolarHBondContact OD1-CA 3.46Å; D94-G97 PolarHBondContact OD1-N 2.68Å; D94-G97 VanDerWaalsContact OD2-C 3.24Å; D94-G97 VanDerWaalsContact OD2-CA 3.25Å; D94-G97 WeakPolarHBondContact OD2-CA 3.49Å; G97-G99 VanDerWaalsContact C-N 3.29Å | ||
| 98 | N | 84.9 | Confident | 80.5 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -81 | -9.2 | -176.4 | 73 | 23.2 | 0 | 0 | 0 | 113 | D94 D96 F100 | D94-N98 PolarHBondContact OD1-N 3.04Å; D94-N98 VanDerWaalsContact OD1-N 3.14Å; D94-N98 PolarHBondContact OD2-N 2.85Å; D96-N98 VanDerWaalsContact C-N 3.31Å; D96-N98 WeakPolarHBondContact OD1-CB 2.91Å; D96-N98 PolarHBondContact OD1-N 3.11Å; D96-N98 PolarHBondContact OD1-ND2 3.19Å; D96-N98 PolarHBondContact OD1-OD1 3.3Å; D96-N98 PolarHBondContact OD2-ND2 3.2Å; N98-F100 WeakPolarHBondContact O-CD2 3.36Å; N98-F100 VanDerWaalsContact OD1-CA 3.31Å; N98-F100 WeakPolarHBondContact OD1-CA 3.4Å; N98-F100 VanDerWaalsContact OD1-CB 3.29Å; N98-F100 WeakPolarHBondContact OD1-CB 3.2Å; N98-F100 PolarHBondContact OD1-N 2.73Å; N98-F100 PolarHBondContact OD1-O 2.76Å |
| 99 | G | 80.5 | Confident | 80.9 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 90.9 | 4.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | D94 G97 | D94-G99 WeakPolarHBondContact OD2-CA 3.23Å; D94-G99 PolarHBondContact OD2-N 3.44Å; G97-G99 VanDerWaalsContact C-N 3.29Å |
| 100 | F | 83.4 | Confident | 81.3 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.6 | -176.6 | -56.3 | -93 | 0 | 0 | 0 | 110.1 | N98 Q136 V137 N138 | N98-F100 WeakPolarHBondContact O-CD2 3.36Å; N98-F100 VanDerWaalsContact OD1-CA 3.31Å; N98-F100 WeakPolarHBondContact OD1-CA 3.4Å; N98-F100 VanDerWaalsContact OD1-CB 3.29Å; N98-F100 WeakPolarHBondContact OD1-CB 3.2Å; N98-F100 PolarHBondContact OD1-N 2.73Å; N98-F100 PolarHBondContact OD1-O 2.76Å; F100-Q136 HydrophobicContact CB-CB 4.02Å; F100-Q136 HydrophobicContact CD1-CB 4.36Å; F100-V137 CarbonylContact C-O 3.56Å; F100-V137 WeakPolarHBondContact CA-O 3.3Å; F100-N138 HydrophobicContact CD1-CB 3.71Å; F100-N138 HydrophobicContact CE1-CB 3.71Å |
| 101 | I | 83.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.5 | 175.3 | -57.1 | 166.6 | 0 | 0 | 0 | 108.2 | F90 F93 D94 E105 L106 V137 F154 | F90-I101 HydrophobicContact CD1-CD1 3.41Å; F90-I101 VanDerWaalsContact CD1-CD1 3.41Å; F90-I101 HydrophobicContact CD1-CG1 3.8Å; F90-I101 HydrophobicContact CE1-CD1 3.48Å; F90-I101 VanDerWaalsContact CE1-CD1 3.48Å; F90-I101 HydrophobicContact CE1-CG1 3.97Å; F90-I101 HydrophobicContact CG-CD1 4.05Å; F90-I101 HydrophobicContact CZ-CD1 4.18Å; F93-I101 HydrophobicContact CB-CD1 3.48Å; F93-I101 VanDerWaalsContact CB-CD1 3.48Å; F93-I101 HydrophobicContact CB-CG1 3.82Å; F93-I101 HydrophobicContact CB-CG2 4.02Å; F93-I101 HydrophobicContact CG-CD1 4.13Å; D94-I101 HydrophobicContact CB-CG1 4.24Å; I101-E105 HydrophobicContact CG2-CB 4.11Å; I101-L106 HydrophobicContact CG2-CB 4.18Å; I101-V137 HydrophobicContact CB-CB 4.22Å; I101-V137 PolarHBondContact N-O 3.1Å; I101-V137 PolarHBondContact O-N 3.23Å; I101-F154 HydrophobicContact CD1-CE1 3.49Å; I101-F154 VanDerWaalsContact CD1-CE1 3.49Å; I101-F154 HydrophobicContact CD1-CZ 3.51Å |
| 102 | S | 86.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 157 | 174.1 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | A104 E105 L106 | S102-A104 PolarHBondContact O-N 3.2Å; S102-A104 VanDerWaalsContact O-N 3.13Å; S102-E105 WeakPolarHBondContact CB-OE2 3.32Å; S102-E105 PolarHBondContact N-OE2 2.67Å; S102-E105 WeakPolarHBondContact O-CB 3.41Å; S102-E105 PolarHBondContact O-N 2.9Å; S102-E105 WeakPolarHBondContact OG-CG 3.49Å; S102-E105 PolarHBondContact OG-N 2.97Å; S102-E105 PolarHBondContact OG-OE2 3Å; S102-L106 PolarHBondContact O-N 2.98Å |
| 103 | A | 84.6 | Confident | 81.5 | Confident | 27 Ų | 27 | 45 Ų | 45 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -50.6 | -38 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R107 V122 I126 | A103-R107 WeakPolarHBondContact O-CB 3.36Å; A103-R107 PolarHBondContact O-N 3.33Å; A103-V122 HydrophobicContact CB-CG1 4Å; A103-V122 WeakPolarHBondContact O-CG1 3.27Å; A103-I126 HydrophobicContact CB-CD1 4.36Å; A103-I126 HydrophobicContact CB-CG1 3.93Å |
| 104 | A | 86.1 | Confident | 81.3 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.4 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S102 H108 | S102-A104 PolarHBondContact O-N 3.2Å; S102-A104 VanDerWaalsContact O-N 3.13Å; A104-H108 WeakPolarHBondContact O-CB 3.45Å; A104-H108 PolarHBondContact O-N 3.26Å |
| 105 | E | 85 | Confident | 80.8 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -46.9 | 177.3 | -76.8 | 165.2 | 132.9 | 0 | 0 | 111.8 | F93 K95 D96 I101 S102 R107 H108 V109 | F93-E105 WeakPolarHBondContact O-CB 3.47Å; K95-E105 PolarHBondContact N-OE1 2.73Å; D96-E105 PolarHBondContact N-OE1 2.86Å; I101-E105 HydrophobicContact CG2-CB 4.11Å; S102-E105 WeakPolarHBondContact CB-OE2 3.32Å; S102-E105 PolarHBondContact N-OE2 2.67Å; S102-E105 WeakPolarHBondContact O-CB 3.41Å; S102-E105 PolarHBondContact O-N 2.9Å; S102-E105 WeakPolarHBondContact OG-CG 3.49Å; S102-E105 PolarHBondContact OG-N 2.97Å; S102-E105 PolarHBondContact OG-OE2 3Å; E105-R107 VanDerWaalsContact C-N 3.31Å; E105-R107 PolarHBondContact O-N 3.39Å; E105-H108 WeakPolarHBondContact O-CB 3.37Å; E105-H108 PolarHBondContact O-N 3.03Å; E105-H108 VanDerWaalsContact O-N 3.1Å; E105-V109 WeakPolarHBondContact O-CG2 3.36Å; E105-V109 PolarHBondContact O-N 3.39Å |
| 106 | L | 82 | Confident | 80.4 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.6 | -48.7 | 174.8 | -170.3 | 70.8 | 0 | 0 | 0 | 110.4 | F93 I101 S102 H108 V109 M110 V122 M125 I126 F154 | F93-L106 HydrophobicContact CD1-CD1 4.05Å; F93-L106 HydrophobicContact CE1-CD1 4.06Å; I101-L106 HydrophobicContact CG2-CB 4.18Å; S102-L106 PolarHBondContact O-N 2.98Å; L106-H108 VanDerWaalsContact C-N 3.3Å; L106-H108 PolarHBondContact O-N 3.42Å; L106-V109 PolarHBondContact O-N 3.21Å; L106-M110 WeakPolarHBondContact O-CB 3.24Å; L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.32Å; L106-M110 PolarHBondContact O-N 3.21Å; L106-V122 HydrophobicContact CB-CG1 4.48Å; L106-V122 HydrophobicContact CD2-CG1 4.26Å; L106-M125 HydrophobicContact CD2-CB 3.94Å; L106-M125 HydrophobicContact CD2-CE 4.43Å; L106-M125 HydrophobicContact CD2-SD 4.41Å; L106-I126 HydrophobicContact CB-CD1 4.33Å; L106-I126 HydrophobicContact CD2-CD1 3.95Å; L106-I126 HydrophobicContact CD2-CG1 4.14Å; L106-F154 HydrophobicContact CD1-CE2 4.07Å; L106-F154 HydrophobicContact CD1-CZ 4.27Å |
| 107 | R | 82.8 | Confident | 80 | Confident | 107 Ų | 107 | 49.7 Ų | 49.7 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 176.2 | -173.4 | -177.1 | -178.4 | -67.4 | -4.7 | 112.3 | A103 E105 T111 D119 V122 | A103-R107 WeakPolarHBondContact O-CB 3.36Å; A103-R107 PolarHBondContact O-N 3.33Å; E105-R107 VanDerWaalsContact C-N 3.31Å; E105-R107 PolarHBondContact O-N 3.39Å; R107-T111 VanDerWaalsContact O-CB 3.27Å; R107-T111 WeakPolarHBondContact O-CB 3.16Å; R107-T111 PolarHBondContact O-N 2.96Å; R107-T111 PolarHBondContact O-OG1 3.1Å; R107-D119 IonicContact CZ-OD1 3.81Å; R107-D119 IonicContact NE-OD1 2.92Å; R107-D119 PolarHBondContact NE-OD1 3.43Å; R107-D119 IonicContact NH2-OD1 3.86Å; R107-V122 HydrophobicContact CB-CG1 4.19Å; R107-V122 HydrophobicContact CB-CG2 4.03Å; R107-V122 HydrophobicContact CG-CG2 4.16Å |
| 108 | H | 82.9 | Confident | 80.1 | Confident | 95 Ų | 95 | 50 Ų | 50 | 44% | 0.44 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 178.9 | -173.9 | 71.4 | 0 | 0 | 0 | 111 | A104 E105 L106 T111 N112 | A104-H108 WeakPolarHBondContact O-CB 3.45Å; A104-H108 PolarHBondContact O-N 3.26Å; E105-H108 WeakPolarHBondContact O-CB 3.37Å; E105-H108 PolarHBondContact O-N 3.03Å; E105-H108 VanDerWaalsContact O-N 3.1Å; L106-H108 VanDerWaalsContact C-N 3.3Å; L106-H108 PolarHBondContact O-N 3.42Å; H108-T111 PolarHBondContact O-N 3.13Å; H108-N112 PolarHBondContact CD2-ND2 3.1Å; H108-N112 PolarHBondContact NE2-ND2 3.31Å; H108-N112 VanDerWaalsContact NE2-ND2 3.11Å; H108-N112 PolarHBondContact O-N 3.44Å; H108-N112 PolarHBondContact O-ND2 3.02Å |
| 109 | V | 79.3 | Confident | 80 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 177.6 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L40 F93 E105 L106 T111 N112 L113 | L40-V109 HydrophobicContact CD2-CG1 3.79Å; F93-V109 HydrophobicContact CD1-CB 3.8Å; F93-V109 HydrophobicContact CD1-CG1 3.83Å; F93-V109 HydrophobicContact CD1-CG2 3.69Å; F93-V109 HydrophobicContact CE1-CB 3.85Å; F93-V109 HydrophobicContact CE1-CG1 3.44Å; F93-V109 VanDerWaalsContact CE1-CG1 3.44Å; F93-V109 HydrophobicContact CE1-CG2 4.21Å; F93-V109 HydrophobicContact CG-CG2 4.25Å; F93-V109 HydrophobicContact CZ-CG1 4.03Å; E105-V109 WeakPolarHBondContact O-CG2 3.36Å; E105-V109 PolarHBondContact O-N 3.39Å; L106-V109 PolarHBondContact O-N 3.21Å; V109-T111 PolarHBondContact O-N 3.39Å; V109-N112 PolarHBondContact O-N 3.08Å; V109-N112 VanDerWaalsContact O-N 3.14Å; V109-L113 HydrophobicContact CG1-CD1 3.74Å; V109-L113 WeakPolarHBondContact O-CG 3.46Å; V109-L113 PolarHBondContact O-N 3Å |
| 110 | M | 77.4 | Confident | 80.2 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 177.3 | -71.6 | -67.3 | -156.2 | 0 | 0 | 112.1 | L106 N112 L113 G114 E115 L117 M125 F149 F153 | L106-M110 WeakPolarHBondContact O-CB 3.24Å; L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.32Å; L106-M110 PolarHBondContact O-N 3.21Å; M110-N112 VanDerWaalsContact C-N 3.28Å; M110-N112 PolarHBondContact O-N 3.43Å; M110-L113 PolarHBondContact O-N 2.91Å; M110-L113 VanDerWaalsContact O-N 3.13Å; M110-G114 PolarHBondContact O-N 2.93Å; M110-E115 CarbonylContact C-O 3.58Å; M110-E115 PolarHBondContact O-N 3.09Å; M110-E115 VanDerWaalsContact O-N 3.09Å; M110-E115 VanDerWaalsContact O-O 3.04Å; M110-L117 HydrophobicContact CB-CD1 3.88Å; M110-L117 HydrophobicContact CB-CG 4.46Å; M110-L117 HydrophobicContact CE-CD1 3.9Å; M110-L117 HydrophobicContact CG-CD1 3.59Å; M110-L117 HydrophobicContact SD-CD1 3.95Å; M110-M125 HydrophobicContact CE-CE 3.43Å; M110-M125 VanDerWaalsContact CE-CE 3.43Å; M110-M125 HydrophobicContact CE-SD 3.7Å; M110-F149 HydrophobicContact CE-CE1 4.25Å; M110-F153 HydrophobicContact CE-CD1 3.95Å; M110-F153 HydrophobicContact CE-CE1 3.57Å; M110-F153 HydrophobicContact CE-CZ 3.91Å; M110-F153 HydrophobicContact SD-CD1 4.37Å; M110-F153 HydrophobicContact SD-CE1 3.43Å; M110-F153 WeakPolarHBondContact SD-CE1 3.46Å; M110-F153 HydrophobicContact SD-CE2 4.28Å; M110-F153 HydrophobicContact SD-CZ 3.32Å; M110-F153 WeakPolarHBondContact SD-CZ 3.14Å |
| 111 | T | 80.7 | Confident | 80.2 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | R107 H108 V109 L113 G114 E115 | R107-T111 VanDerWaalsContact O-CB 3.27Å; R107-T111 WeakPolarHBondContact O-CB 3.16Å; R107-T111 PolarHBondContact O-N 2.96Å; R107-T111 PolarHBondContact O-OG1 3.1Å; H108-T111 PolarHBondContact O-N 3.13Å; V109-T111 PolarHBondContact O-N 3.39Å; T111-L113 VanDerWaalsContact C-N 3.33Å; T111-G114 PolarHBondContact O-N 3.31Å; T111-E115 WeakPolarHBondContact CA-O 3.44Å; T111-E115 PolarHBondContact N-O 3.3Å |
| 112 | N | 77.2 | Confident | 80.1 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 179 | -69.7 | -18.6 | 0 | 0 | 0 | 112.2 | S39 H108 V109 M110 G114 | S39-N112 WeakPolarHBondContact CB-O 3.35Å; S39-N112 VanDerWaalsContact O-CB 3.26Å; S39-N112 WeakPolarHBondContact O-CB 3.43Å; S39-N112 PolarHBondContact OG-O 3.5Å; H108-N112 PolarHBondContact CD2-ND2 3.1Å; H108-N112 PolarHBondContact NE2-ND2 3.31Å; H108-N112 VanDerWaalsContact NE2-ND2 3.11Å; H108-N112 PolarHBondContact O-N 3.44Å; H108-N112 PolarHBondContact O-ND2 3.02Å; V109-N112 PolarHBondContact O-N 3.08Å; V109-N112 VanDerWaalsContact O-N 3.14Å; M110-N112 VanDerWaalsContact C-N 3.28Å; M110-N112 PolarHBondContact O-N 3.43Å; N112-G114 PolarHBondContact O-N 3.1Å |
| 113 | L | 70.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.7 | -10.3 | 175.7 | -72.8 | 162.3 | 0 | 0 | 0 | 113.4 | K22 V36 L40 V109 M110 T111 F153 V157 | K22-L113 PolarHBondContact NZ-O 2.76Å; V36-L113 HydrophobicContact CG1-CD2 3.58Å; L40-L113 HydrophobicContact CD1-CD2 4.3Å; L40-L113 HydrophobicContact CD2-CD1 3.8Å; L40-L113 HydrophobicContact CD2-CD2 3.81Å; L40-L113 HydrophobicContact CD2-CG 3.91Å; L40-L113 HydrophobicContact CG-CD2 3.88Å; L40-L113 HydrophobicContact CG-CG 4.46Å; V109-L113 HydrophobicContact CG1-CD1 3.74Å; V109-L113 WeakPolarHBondContact O-CG 3.46Å; V109-L113 PolarHBondContact O-N 3Å; M110-L113 PolarHBondContact O-N 2.91Å; M110-L113 VanDerWaalsContact O-N 3.13Å; T111-L113 VanDerWaalsContact C-N 3.33Å; L113-F153 HydrophobicContact CD1-CE1 3.76Å; L113-F153 HydrophobicContact CD1-CE2 3.94Å; L113-F153 HydrophobicContact CD1-CZ 3.14Å; L113-F153 HydrophobicContact CG-CZ 4.39Å; L113-V157 HydrophobicContact CD1-CG2 4.25Å |
| 114 | G | 72.4 | Confident | 79.7 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -1.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M110 T111 N112 | M110-G114 PolarHBondContact O-N 2.93Å; T111-G114 PolarHBondContact O-N 3.31Å; N112-G114 PolarHBondContact O-N 3.1Å |
| 115 | E | 72.4 | Confident | 79.3 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | trans | -83.4 | 117.1 | 174 | -84.8 | -70.2 | 122 | 0 | 0 | 109.6 | L19 M110 T111 L117 | L19-E115 HydrophobicContact CD2-CG 3.38Å; M110-E115 CarbonylContact C-O 3.58Å; M110-E115 PolarHBondContact O-N 3.09Å; M110-E115 VanDerWaalsContact O-N 3.09Å; M110-E115 VanDerWaalsContact O-O 3.04Å; T111-E115 WeakPolarHBondContact CA-O 3.44Å; T111-E115 PolarHBondContact N-O 3.3Å; E115-L117 PolarHBondContact O-N 3.17Å | ||
| 116 | K | 71.7 | Confident | 79.1 | Confident | 182 Ų | 182 | 63.3 Ų | 63.3 | 79% | 0.791 | 32% | 0.32 | S | S | * | . | trans | -96.1 | 79.5 | 175 | -73.8 | -174 | 177.2 | 176.9 | 0 | 109.2 | ||||
| 117 | L | 75.4 | Confident | 78.9 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | trans | -71.5 | 140 | 169.6 | -60.4 | 173.1 | 0 | 0 | 0 | 110.1 | M110 E115 E121 V122 M125 | M110-L117 HydrophobicContact CB-CD1 3.88Å; M110-L117 HydrophobicContact CB-CG 4.46Å; M110-L117 HydrophobicContact CE-CD1 3.9Å; M110-L117 HydrophobicContact CG-CD1 3.59Å; M110-L117 HydrophobicContact SD-CD1 3.95Å; E115-L117 PolarHBondContact O-N 3.17Å; L117-E121 HydrophobicContact CB-CB 4.23Å; L117-E121 HydrophobicContact CD2-CB 4.15Å; L117-V122 HydrophobicContact CB-CG2 3.68Å; L117-V122 HydrophobicContact CD1-CG2 4.16Å; L117-M125 HydrophobicContact CD1-SD 3.78Å | ||
| 118 | T | 83.5 | Confident | 78.5 | Confident | 64 Ų | 64 | 72 Ų | 72 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | trans | -70.4 | 157.1 | 167.6 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | E120 E121 V122 | T118-E120 PolarHBondContact O-N 3.3Å; T118-E120 VanDerWaalsContact O-N 3.15Å; T118-E121 WeakPolarHBondContact CB-OE2 3.44Å; T118-E121 PolarHBondContact N-OE2 3.43Å; T118-E121 PolarHBondContact O-N 3.16Å; T118-E121 VanDerWaalsContact O-N 3.14Å; T118-E121 VanDerWaalsContact OG1-CD 3.29Å; T118-E121 VanDerWaalsContact OG1-CG 3.29Å; T118-E121 WeakPolarHBondContact OG1-CG 3.37Å; T118-E121 PolarHBondContact OG1-N 2.92Å; T118-E121 PolarHBondContact OG1-OE2 2.9Å; T118-V122 WeakPolarHBondContact O-CG2 3.41Å; T118-V122 PolarHBondContact O-N 3.25Å | ||
| 119 | D | 83.4 | Confident | 78 | Confident | 103 Ų | 103 | 68 Ų | 68 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.5 | -28.3 | 177.6 | -62.6 | -14.8 | 0 | 0 | 0 | 111 | R107 D123 | R107-D119 IonicContact CZ-OD1 3.81Å; R107-D119 IonicContact NE-OD1 2.92Å; R107-D119 PolarHBondContact NE-OD1 3.43Å; R107-D119 IonicContact NH2-OD1 3.86Å; D119-D123 WeakPolarHBondContact O-CB 3.43Å; D119-D123 PolarHBondContact O-N 2.99Å |
| 120 | E | 84.9 | Confident | 77.9 | Confident | 159 Ų | 159 | 69 Ų | 69 | 74% | 0.743 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.8 | -43 | 176 | -69.2 | 144.8 | 166.1 | 0 | 0 | 112.7 | T118 D123 E124 | T118-E120 PolarHBondContact O-N 3.3Å; T118-E120 VanDerWaalsContact O-N 3.15Å; E120-D123 PolarHBondContact O-N 2.92Å; E120-E124 PolarHBondContact O-N 2.73Å |
| 121 | E | 82.6 | Confident | 77.6 | Confident | 91 Ų | 91 | 73.4 Ų | 73.4 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 175.7 | -72.6 | 161.8 | 140.3 | 0 | 0 | 111.2 | L117 T118 E124 M125 | L117-E121 HydrophobicContact CB-CB 4.23Å; L117-E121 HydrophobicContact CD2-CB 4.15Å; T118-E121 WeakPolarHBondContact CB-OE2 3.44Å; T118-E121 PolarHBondContact N-OE2 3.43Å; T118-E121 PolarHBondContact O-N 3.16Å; T118-E121 VanDerWaalsContact O-N 3.14Å; T118-E121 VanDerWaalsContact OG1-CD 3.29Å; T118-E121 VanDerWaalsContact OG1-CG 3.29Å; T118-E121 WeakPolarHBondContact OG1-CG 3.37Å; T118-E121 PolarHBondContact OG1-N 2.92Å; T118-E121 PolarHBondContact OG1-OE2 2.9Å; E121-E124 PolarHBondContact O-N 2.73Å; E121-M125 WeakPolarHBondContact O-CG 3.31Å; E121-M125 PolarHBondContact O-N 3.37Å |
| 122 | V | 80.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.3 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | A103 L106 R107 L117 T118 E124 M125 I126 | A103-V122 HydrophobicContact CB-CG1 4Å; A103-V122 WeakPolarHBondContact O-CG1 3.27Å; L106-V122 HydrophobicContact CB-CG1 4.48Å; L106-V122 HydrophobicContact CD2-CG1 4.26Å; R107-V122 HydrophobicContact CB-CG1 4.19Å; R107-V122 HydrophobicContact CB-CG2 4.03Å; R107-V122 HydrophobicContact CG-CG2 4.16Å; L117-V122 HydrophobicContact CB-CG2 3.68Å; L117-V122 HydrophobicContact CD1-CG2 4.16Å; T118-V122 WeakPolarHBondContact O-CG2 3.41Å; T118-V122 PolarHBondContact O-N 3.25Å; V122-E124 VanDerWaalsContact C-N 3.27Å; V122-E124 PolarHBondContact O-N 3.11Å; V122-M125 PolarHBondContact O-N 3.22Å; V122-I126 HydrophobicContact CG1-CG1 4.4Å; V122-I126 WeakPolarHBondContact O-CG1 3.41Å; V122-I126 PolarHBondContact O-N 3.09Å |
| 123 | D | 82 | Confident | 77.6 | Confident | 88 Ų | 88 | 75.2 Ų | 75.2 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 176.3 | -93.8 | 4.3 | 0 | 0 | 0 | 111.7 | D119 E120 R127 | D119-D123 WeakPolarHBondContact O-CB 3.43Å; D119-D123 PolarHBondContact O-N 2.99Å; E120-D123 PolarHBondContact O-N 2.92Å; D123-R127 WeakPolarHBondContact O-CB 3.5Å; D123-R127 PolarHBondContact O-N 3.26Å |
| 124 | E | 81.1 | Confident | 78.1 | Confident | 120 Ų | 120 | 78.7 Ų | 78.7 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.4 | -46.5 | 174.1 | -130.1 | -167.7 | 175.2 | 0 | 0 | 111.3 | E120 E121 V122 I126 R127 E128 | E120-E124 PolarHBondContact O-N 2.73Å; E121-E124 PolarHBondContact O-N 2.73Å; V122-E124 VanDerWaalsContact C-N 3.27Å; V122-E124 PolarHBondContact O-N 3.11Å; E124-I126 PolarHBondContact O-N 3.26Å; E124-R127 PolarHBondContact O-N 3.32Å; E124-R127 VanDerWaalsContact O-N 3.16Å; E124-E128 WeakPolarHBondContact O-CG 3.29Å; E124-E128 PolarHBondContact O-N 3.13Å |
| 125 | M | 77.3 | Confident | 78.4 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 176.3 | -69 | -173 | 71.5 | 0 | 0 | 112.5 | L106 M110 L117 E121 V122 E128 A129 F149 | L106-M125 HydrophobicContact CD2-CB 3.94Å; L106-M125 HydrophobicContact CD2-CE 4.43Å; L106-M125 HydrophobicContact CD2-SD 4.41Å; M110-M125 HydrophobicContact CE-CE 3.43Å; M110-M125 VanDerWaalsContact CE-CE 3.43Å; M110-M125 HydrophobicContact CE-SD 3.7Å; L117-M125 HydrophobicContact CD1-SD 3.78Å; E121-M125 WeakPolarHBondContact O-CG 3.31Å; E121-M125 PolarHBondContact O-N 3.37Å; V122-M125 PolarHBondContact O-N 3.22Å; M125-E128 PolarHBondContact O-N 2.82Å; M125-A129 PolarHBondContact O-N 3.14Å; M125-A129 VanDerWaalsContact O-N 3.17Å; M125-F149 HydrophobicContact CE-CD1 4.11Å; M125-F149 HydrophobicContact CE-CE1 4.07Å |
| 126 | I | 80.1 | Confident | 78.8 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 175.6 | -66.9 | -75.5 | 0 | 0 | 0 | 109.2 | A103 L106 V122 E124 E128 A129 D130 V137 | A103-I126 HydrophobicContact CB-CD1 4.36Å; A103-I126 HydrophobicContact CB-CG1 3.93Å; L106-I126 HydrophobicContact CB-CD1 4.33Å; L106-I126 HydrophobicContact CD2-CD1 3.95Å; L106-I126 HydrophobicContact CD2-CG1 4.14Å; V122-I126 HydrophobicContact CG1-CG1 4.4Å; V122-I126 WeakPolarHBondContact O-CG1 3.41Å; V122-I126 PolarHBondContact O-N 3.09Å; E124-I126 PolarHBondContact O-N 3.26Å; I126-E128 VanDerWaalsContact C-N 3.26Å; I126-E128 PolarHBondContact O-N 2.86Å; I126-A129 CarbonylContact O-C 3.48Å; I126-A129 PolarHBondContact O-N 3Å; I126-A129 VanDerWaalsContact O-N 3.09Å; I126-D130 HydrophobicContact CG2-CB 4.36Å; I126-D130 WeakPolarHBondContact O-CA 3.39Å; I126-D130 WeakPolarHBondContact O-CB 3.38Å; I126-D130 PolarHBondContact O-N 3.22Å; I126-V137 HydrophobicContact CD1-CG2 3.77Å |
| 127 | R | 79.3 | Confident | 79.1 | Confident | 188 Ų | 188 | 69 Ų | 69 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.2 | -28.7 | -177.2 | -166.9 | -176 | -76.3 | 154 | 0.2 | 113.1 | D123 E124 | D123-R127 WeakPolarHBondContact O-CB 3.5Å; D123-R127 PolarHBondContact O-N 3.26Å; E124-R127 PolarHBondContact O-N 3.32Å; E124-R127 VanDerWaalsContact O-N 3.16Å |
| 128 | E | 74.7 | Confident | 79.1 | Confident | 104 Ų | 104 | 69 Ų | 69 | 49% | 0.486 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.2 | -35.1 | 172.7 | -73.9 | -168.7 | 175.8 | 0 | 0 | 112.8 | E124 M125 I126 T147 | E124-E128 WeakPolarHBondContact O-CG 3.29Å; E124-E128 PolarHBondContact O-N 3.13Å; M125-E128 PolarHBondContact O-N 2.82Å; I126-E128 VanDerWaalsContact C-N 3.26Å; I126-E128 PolarHBondContact O-N 2.86Å; E128-T147 WeakPolarHBondContact OE2-CB 3.33Å; E128-T147 WeakPolarHBondContact OE2-CG2 3.49Å; E128-T147 PolarHBondContact OE2-OG1 2.96Å |
| 129 | A | 70.6 | Confident | 78.3 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -88.6 | -22.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M125 I126 I131 V137 | M125-A129 PolarHBondContact O-N 3.14Å; M125-A129 VanDerWaalsContact O-N 3.17Å; I126-A129 CarbonylContact O-C 3.48Å; I126-A129 PolarHBondContact O-N 3Å; I126-A129 VanDerWaalsContact O-N 3.09Å; A129-I131 PolarHBondContact O-N 2.77Å; A129-V137 HydrophobicContact CB-CG1 4.05Å; A129-V137 HydrophobicContact CB-CG2 3.66Å |
| 130 | D | 77.8 | Confident | 77 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | trans | -79.3 | 95.2 | -179.8 | 176 | 14.3 | 0 | 0 | 0 | 110.7 | I126 D132 G133 D134 G135 | I126-D130 HydrophobicContact CG2-CB 4.36Å; I126-D130 WeakPolarHBondContact O-CA 3.39Å; I126-D130 WeakPolarHBondContact O-CB 3.38Å; I126-D130 PolarHBondContact O-N 3.22Å; D130-D132 PolarHBondContact OD1-N 2.72Å; D130-D132 VanDerWaalsContact OD1-OD1 3.06Å; D130-G133 VanDerWaalsContact OD1-CA 3.3Å; D130-G133 WeakPolarHBondContact OD1-CA 3.43Å; D130-G133 PolarHBondContact OD1-N 3.2Å; D130-G133 WeakPolarHBondContact OD2-CA 3.06Å; D130-D134 PolarHBondContact OD1-N 3.48Å; D130-D134 PolarHBondContact OD2-N 2.77Å; D130-D134 VanDerWaalsContact OD2-N 3.16Å; D130-G135 VanDerWaalsContact OD2-CA 3.31Å; D130-G135 WeakPolarHBondContact OD2-CA 3.33Å; D130-G135 PolarHBondContact OD2-N 3Å | ||
| 131 | I | 72.1 | Confident | 75.2 | Confident | 96 Ų | 96 | 66 Ų | 66 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -77.8 | -31.9 | -177.8 | -61.4 | 170.5 | 0 | 0 | 0 | 111.7 | A129 E142 D144 | A129-I131 PolarHBondContact O-N 2.77Å; I131-E142 WeakPolarHBondContact CD1-O 3.46Å; I131-D144 HydrophobicContact CD1-CB 4.37Å |
| 132 | D | 78.4 | Confident | 73.4 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -94.6 | -9.4 | -175.6 | 66.3 | 22.1 | 0 | 0 | 0 | 113.7 | D130 D134 N138 | D130-D132 PolarHBondContact OD1-N 2.72Å; D130-D132 VanDerWaalsContact OD1-OD1 3.06Å; D132-D134 WeakPolarHBondContact OD1-CB 3.48Å; D132-D134 PolarHBondContact OD1-N 2.81Å; D132-D134 VanDerWaalsContact OD1-N 3.11Å; D132-N138 PolarHBondContact OD2-ND2 3.47Å |
| 133 | G | 78 | Confident | 71.8 | Confident | 60 Ų | 60 | 73 Ų | 73 | 62% | 0.619 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 78.2 | 20.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D130 G135 | D130-G133 VanDerWaalsContact OD1-CA 3.3Å; D130-G133 WeakPolarHBondContact OD1-CA 3.43Å; D130-G133 PolarHBondContact OD1-N 3.2Å; D130-G133 WeakPolarHBondContact OD2-CA 3.06Å; G133-G135 VanDerWaalsContact C-N 3.29Å |
| 134 | D | 81.7 | Confident | 69.8 | Low | 79 Ų | 79 | 74.1 Ų | 74.1 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -82.6 | -6 | -179.1 | 81.7 | -2.6 | 0 | 0 | 0 | 114 | D130 D132 Q136 | D130-D134 PolarHBondContact OD1-N 3.48Å; D130-D134 PolarHBondContact OD2-N 2.77Å; D130-D134 VanDerWaalsContact OD2-N 3.16Å; D132-D134 WeakPolarHBondContact OD1-CB 3.48Å; D132-D134 PolarHBondContact OD1-N 2.81Å; D132-D134 VanDerWaalsContact OD1-N 3.11Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.49Å; D134-Q136 VanDerWaalsContact OD1-CB 3.32Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.36Å; D134-Q136 PolarHBondContact OD1-N 2.98Å; D134-Q136 VanDerWaalsContact OD1-O 3.12Å |
| 135 | G | 78.6 | Confident | 68.1 | Low | 40 Ų | 40 | 70.8 Ų | 70.8 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 81.1 | 14.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D130 G133 | D130-G135 VanDerWaalsContact OD2-CA 3.31Å; D130-G135 WeakPolarHBondContact OD2-CA 3.33Å; D130-G135 PolarHBondContact OD2-N 3Å; G133-G135 VanDerWaalsContact C-N 3.29Å |
| 136 | Q | 80.5 | Confident | 66.5 | Low | 62 Ų | 62 | 74.2 Ų | 74.2 | 29% | 0.29 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.2 | 177.7 | -43 | -167.1 | -73.1 | 0 | 0 | 110 | F100 D134 | F100-Q136 HydrophobicContact CB-CB 4.02Å; F100-Q136 HydrophobicContact CD1-CB 4.36Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.49Å; D134-Q136 VanDerWaalsContact OD1-CB 3.32Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.36Å; D134-Q136 PolarHBondContact OD1-N 2.98Å; D134-Q136 VanDerWaalsContact OD1-O 3.12Å |
| 137 | V | 78.7 | Confident | 64.9 | Low | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.042 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.4 | 176 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | F90 F100 I101 I126 A129 | F90-V137 HydrophobicContact CE1-CG1 4.3Å; F90-V137 HydrophobicContact CZ-CG1 4.14Å; F100-V137 CarbonylContact C-O 3.56Å; F100-V137 WeakPolarHBondContact CA-O 3.3Å; I101-V137 HydrophobicContact CB-CB 4.22Å; I101-V137 PolarHBondContact N-O 3.1Å; I101-V137 PolarHBondContact O-N 3.23Å; I126-V137 HydrophobicContact CD1-CG2 3.77Å; A129-V137 HydrophobicContact CB-CG1 4.05Å; A129-V137 HydrophobicContact CB-CG2 3.66Å |
| 138 | N | 75.4 | Confident | 63.5 | Low | 27 Ų | 27 | 68.3 Ų | 68.3 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 158.7 | -179.5 | 72.4 | 24.9 | 0 | 0 | 0 | 112.3 | F100 D132 G141 | F100-N138 HydrophobicContact CD1-CB 3.71Å; F100-N138 HydrophobicContact CE1-CB 3.71Å; D132-N138 PolarHBondContact OD2-ND2 3.47Å; N138-G141 PolarHBondContact OD1-N 3.28Å |
| 139 | Y | 65.9 | Low | 62.4 | Low | 56 Ų | 56 | 66 Ų | 66 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -79.1 | -28.4 | 177.2 | 178 | -94.2 | 0 | 0 | 0 | 113.6 | E83 I86 R87 F90 | E83-Y139 WeakPolarHBondContact CA-OH 3.22Å; E83-Y139 HydrophobicContact CG-CE1 4.2Å; E83-Y139 WeakPolarHBondContact CG-OH 3.27Å; E83-Y139 PolarHBondContact O-OH 3.14Å; I86-Y139 HydrophobicContact CB-CE2 4.01Å; I86-Y139 HydrophobicContact CG2-CD2 4.29Å; I86-Y139 HydrophobicContact CG2-CE2 3.7Å; R87-Y139 HydrophobicContact CB-CE2 3.8Å; R87-Y139 HydrophobicContact CG-CE2 4.46Å; F90-Y139 AromaticContact CD2-CD2 3.97Å; F90-Y139 HydrophobicContact CD2-CD2 3.97Å; F90-Y139 HydrophobicContact CE2-CD2 4.28Å; F90-Y139 HydrophobicContact CG-CD2 4.11Å |
| 140 | E | 57 | Low | 61.5 | Low | 186 Ų | 186 | 66 Ų | 66 | 87% | 0.869 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -84.7 | -16.9 | -169.2 | -85.3 | -172 | 103 | 0 | 0 | 114.5 | ||
| 141 | G | 47.1 | Very low | 60.5 | Low | 21 Ų | 21 | 68.6 Ų | 68.6 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -78.4 | 125.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | N138 C143 | N138-G141 PolarHBondContact OD1-N 3.28Å; G141-C143 VanDerWaalsContact C-N 3.26Å; G141-C143 PolarHBondContact O-N 2.96Å |
| 142 | E | 44.9 | Very low | 59.9 | Low | 183 Ų | 183 | 64.1 Ų | 64.1 | 86% | 0.855 | 37% | 0.365 | S | S | * | . | trans | -43.6 | 101.2 | 158 | -72 | -175.3 | 137.2 | 0 | 0 | 106.6 | I131 D144 | I131-E142 WeakPolarHBondContact CD1-O 3.46Å; E142-D144 WeakPolarHBondContact O-CA 3.36Å; E142-D144 PolarHBondContact O-N 3.44Å | ||
| 143 | C | 47.4 | Very low | 59.2 | Low | 57 Ų | 57 | 60.2 Ų | 60.2 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -57.7 | 99.1 | 180 | -171.8 | 0 | 0 | 0 | 0 | 104.7 | G141 S145 | G141-C143 VanDerWaalsContact C-N 3.26Å; G141-C143 PolarHBondContact O-N 2.96Å; C143-S145 PolarHBondContact O-N 2.78Å | ||
| 144 | D | 39.6 | Very low | 58.4 | Low | 111 Ų | 111 | 58.5 Ų | 58.5 | 59% | 0.594 | 32% | 0.319 | S | S | * | . | trans | -60.8 | 116.2 | -166.4 | -155.5 | -43.9 | 0 | 0 | 0 | 103.9 | I131 E142 S146 | I131-D144 HydrophobicContact CD1-CB 4.37Å; E142-D144 WeakPolarHBondContact O-CA 3.36Å; E142-D144 PolarHBondContact O-N 3.44Å; D144-S146 PolarHBondContact O-N 2.73Å; D144-S146 PolarHBondContact OD1-OG 3.41Å; D144-S146 VanDerWaalsContact OD1-OG 3.07Å | ||
| 145 | S | 45.8 | Very low | 57.5 | Low | 50 Ų | 50 | 55.6 Ų | 55.6 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 24.9 | -165.8 | -71.5 | 0 | 0 | 0 | 0 | 113.1 | C143 R151 | C143-S145 PolarHBondContact O-N 2.78Å; S145-R151 WeakPolarHBondContact OG-CD 3.44Å; S145-R151 PolarHBondContact OG-NE 3.4Å; S145-R151 PolarHBondContact OG-NH1 3.25Å |
| 146 | S | 42.3 | Very low | 56.8 | Low | 98 Ų | 98 | 53.8 Ų | 53.8 | 69% | 0.685 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -27.4 | -164.7 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | D144 | D144-S146 PolarHBondContact O-N 2.73Å; D144-S146 PolarHBondContact OD1-OG 3.41Å; D144-S146 VanDerWaalsContact OD1-OG 3.07Å |
| 147 | T | 47.8 | Very low | 56.1 | Low | 46 Ų | 46 | 50.9 Ų | 50.9 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | trans | -106.2 | 102.8 | 165.3 | 1 | 0 | 0 | 0 | 0 | 108.9 | E128 F149 C150 R151 | E128-T147 WeakPolarHBondContact OE2-CB 3.33Å; E128-T147 WeakPolarHBondContact OE2-CG2 3.49Å; E128-T147 PolarHBondContact OE2-OG1 2.96Å; T147-F149 PolarHBondContact O-N 3.27Å; T147-C150 PolarHBondContact O-N 2.95Å; T147-C150 VanDerWaalsContact O-N 3.08Å; T147-R151 PolarHBondContact O-N 3.06Å; T147-R151 VanDerWaalsContact O-N 3.15Å | ||
| 148 | V | 49.4 | Very low | 55.3 | Low | 25 Ų | 25 | 50.7 Ų | 50.7 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.1 | -24.9 | 174.6 | 166.5 | 0 | 0 | 0 | 0 | 109.5 | Q9 E12 T152 | Q9-V148 HydrophobicContact CG-CG1 4.23Å; Q9-V148 HydrophobicContact CG-CG2 4.27Å; E12-V148 HydrophobicContact CB-CG1 4.06Å; E12-V148 VanDerWaalsContact CD-CB 3.49Å; E12-V148 WeakPolarHBondContact OE2-CA 3.42Å; E12-V148 WeakPolarHBondContact OE2-CB 3.06Å; E12-V148 WeakPolarHBondContact OE2-CG1 3.38Å; V148-T152 WeakPolarHBondContact CG1-OG1 3.25Å; V148-T152 WeakPolarHBondContact O-CA 3.27Å; V148-T152 WeakPolarHBondContact O-CB 3.31Å; V148-T152 PolarHBondContact O-N 3.15Å; V148-T152 PolarHBondContact O-OG1 2.73Å |
| 149 | F | 50.5 | Low | 54.8 | Low | 54 Ų | 54 | 49.5 Ų | 49.5 | 24% | 0.237 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -51.9 | 176.4 | -172 | -95.1 | 0 | 0 | 0 | 111.7 | E12 E15 M110 M125 T147 R151 T152 F153 | E12-F149 WeakPolarHBondContact OE2-CA 3.33Å; E12-F149 PolarHBondContact OE2-N 3.36Å; E15-F149 HydrophobicContact CB-CE2 4.37Å; M110-F149 HydrophobicContact CE-CE1 4.25Å; M125-F149 HydrophobicContact CE-CD1 4.11Å; M125-F149 HydrophobicContact CE-CE1 4.07Å; T147-F149 PolarHBondContact O-N 3.27Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.16Å; F149-T152 PolarHBondContact O-N 2.75Å; F149-F153 WeakPolarHBondContact O-CB 3.36Å; F149-F153 PolarHBondContact O-N 2.76Å |
| 150 | C | 52.5 | Low | 54.7 | Low | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.095 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 179.9 | -154.2 | 0 | 0 | 0 | 0 | 109.9 | T147 F154 | T147-C150 PolarHBondContact O-N 2.95Å; T147-C150 VanDerWaalsContact O-N 3.08Å; C150-F154 VanDerWaalsContact O-CB 3.24Å; C150-F154 WeakPolarHBondContact O-CB 3.19Å; C150-F154 WeakPolarHBondContact O-CD2 3.12Å; C150-F154 PolarHBondContact O-N 2.89Å |
| 151 | R | 57.6 | Low | 55 | Low | 79 Ų | 79 | 38.3 Ų | 38.3 | 30% | 0.298 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.9 | -44.7 | 179.2 | -166.5 | 173.2 | 172.4 | -149.6 | -2.1 | 112.8 | S145 T147 F149 L155 | S145-R151 WeakPolarHBondContact OG-CD 3.44Å; S145-R151 PolarHBondContact OG-NE 3.4Å; S145-R151 PolarHBondContact OG-NH1 3.25Å; T147-R151 PolarHBondContact O-N 3.06Å; T147-R151 VanDerWaalsContact O-N 3.15Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.16Å; R151-L155 VanDerWaalsContact O-CB 3.26Å; R151-L155 WeakPolarHBondContact O-CB 3.29Å; R151-L155 PolarHBondContact O-N 2.91Å |
| 152 | T | 58.3 | Low | 55.5 | Low | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 178.4 | -62.9 | 0 | 0 | 0 | 0 | 109.6 | F13 A16 M73 V148 F149 L155 T156 | F13-T152 HydrophobicContact CD1-CG2 3.47Å; F13-T152 VanDerWaalsContact CD1-CG2 3.47Å; F13-T152 HydrophobicContact CE1-CG2 3.57Å; A16-T152 HydrophobicContact CB-CG2 3.7Å; M73-T152 HydrophobicContact CE-CG2 3.34Å; V148-T152 WeakPolarHBondContact CG1-OG1 3.25Å; V148-T152 WeakPolarHBondContact O-CA 3.27Å; V148-T152 WeakPolarHBondContact O-CB 3.31Å; V148-T152 PolarHBondContact O-N 3.15Å; V148-T152 PolarHBondContact O-OG1 2.73Å; F149-T152 PolarHBondContact O-N 2.75Å; T152-L155 PolarHBondContact O-N 3.35Å; T152-T156 WeakPolarHBondContact O-CB 3.2Å; T152-T156 PolarHBondContact O-N 2.93Å; T152-T156 PolarHBondContact O-OG1 3.13Å |
| 153 | F | 63.2 | Low | 56 | Low | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -46.9 | -179.5 | -169.4 | -101.4 | 0 | 0 | 0 | 112.2 | L19 F93 M110 L113 F149 L155 T156 V157 | L19-F153 HydrophobicContact CD1-CD2 3.56Å; L19-F153 HydrophobicContact CD1-CE2 3.37Å; L19-F153 HydrophobicContact CG-CE2 4.46Å; F93-F153 HydrophobicContact CE1-CE1 4.36Å; F93-F153 HydrophobicContact CZ-CD1 4.34Å; F93-F153 HydrophobicContact CZ-CE1 4.27Å; M110-F153 HydrophobicContact CE-CD1 3.95Å; M110-F153 HydrophobicContact CE-CE1 3.57Å; M110-F153 HydrophobicContact CE-CZ 3.91Å; M110-F153 HydrophobicContact SD-CD1 4.37Å; M110-F153 HydrophobicContact SD-CE1 3.43Å; M110-F153 WeakPolarHBondContact SD-CE1 3.46Å; M110-F153 HydrophobicContact SD-CE2 4.28Å; M110-F153 HydrophobicContact SD-CZ 3.32Å; M110-F153 WeakPolarHBondContact SD-CZ 3.14Å; L113-F153 HydrophobicContact CD1-CE1 3.76Å; L113-F153 HydrophobicContact CD1-CE2 3.94Å; L113-F153 HydrophobicContact CD1-CZ 3.14Å; L113-F153 HydrophobicContact CG-CZ 4.39Å; F149-F153 WeakPolarHBondContact O-CB 3.36Å; F149-F153 PolarHBondContact O-N 2.76Å; F153-L155 VanDerWaalsContact C-N 3.34Å; F153-L155 PolarHBondContact O-N 3.38Å; F153-T156 PolarHBondContact O-N 3.33Å; F153-V157 HydrophobicContact CD1-CG2 4.3Å; F153-V157 HydrophobicContact CE1-CG2 4.19Å; F153-V157 HydrophobicContact CZ-CG2 4.44Å; F153-V157 WeakPolarHBondContact O-CB 3.35Å; F153-V157 WeakPolarHBondContact O-CG2 3.33Å; F153-V157 PolarHBondContact O-N 2.83Å |
| 154 | F | 63.1 | Low | 56.3 | Low | 25 Ų | 25 | 30.3 Ų | 30.3 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 173 | -96.5 | -93 | 0 | 0 | 0 | 111.1 | F93 I101 L106 C150 T156 A158 | F93-F154 HydrophobicContact CB-CE1 4.44Å; F93-F154 HydrophobicContact CD1-CE1 4.26Å; F93-F154 HydrophobicContact CD1-CZ 4.02Å; F93-F154 AromaticContact CD2-CD1 3.9Å; F93-F154 HydrophobicContact CD2-CD1 3.9Å; F93-F154 AromaticContact CD2-CE1 3.4Å; F93-F154 HydrophobicContact CD2-CE1 3.4Å; F93-F154 VanDerWaalsContact CD2-CE1 3.4Å; F93-F154 HydrophobicContact CD2-CZ 4.01Å; F93-F154 HydrophobicContact CE1-CE1 4.37Å; F93-F154 HydrophobicContact CE1-CE2 4.37Å; F93-F154 HydrophobicContact CE1-CZ 4.1Å; F93-F154 AromaticContact CE2-CD1 3.62Å; F93-F154 HydrophobicContact CE2-CD1 3.62Å; F93-F154 AromaticContact CE2-CE1 3.55Å; F93-F154 HydrophobicContact CE2-CE1 3.55Å; F93-F154 HydrophobicContact CE2-CG 4.23Å; F93-F154 HydrophobicContact CE2-CZ 4.11Å; F93-F154 AromaticContact CG-CE1 3.8Å; F93-F154 HydrophobicContact CG-CE1 3.8Å; F93-F154 AromaticContact CG-CZ 3.97Å; F93-F154 HydrophobicContact CG-CZ 3.97Å; F93-F154 HydrophobicContact CZ-CD1 4.16Å; F93-F154 HydrophobicContact CZ-CD2 4.47Å; F93-F154 HydrophobicContact CZ-CE1 4.04Å; F93-F154 HydrophobicContact CZ-CE2 4.36Å; F93-F154 HydrophobicContact CZ-CG 4.38Å; F93-F154 HydrophobicContact CZ-CZ 4.15Å; I101-F154 HydrophobicContact CD1-CE1 3.49Å; I101-F154 VanDerWaalsContact CD1-CE1 3.49Å; I101-F154 HydrophobicContact CD1-CZ 3.51Å; L106-F154 HydrophobicContact CD1-CE2 4.07Å; L106-F154 HydrophobicContact CD1-CZ 4.27Å; C150-F154 VanDerWaalsContact O-CB 3.24Å; C150-F154 WeakPolarHBondContact O-CB 3.19Å; C150-F154 WeakPolarHBondContact O-CD2 3.12Å; C150-F154 PolarHBondContact O-N 2.89Å; F154-T156 PolarHBondContact O-N 3.44Å; F154-A158 WeakPolarHBondContact O-CA 3.31Å; F154-A158 WeakPolarHBondContact O-CB 3.38Å; F154-A158 PolarHBondContact O-N 3.44Å |
| 155 | L | 61.3 | Low | 56.7 | Low | 18 Ų | 18 | 27.9 Ų | 27.9 | 9% | 0.094 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 175.9 | -119.7 | 78.3 | 0 | 0 | 0 | 111.5 | M77 T80 R151 T152 F153 A158 I159 | M77-L155 HydrophobicContact CB-CD2 4.24Å; M77-L155 HydrophobicContact CG-CD2 3.6Å; T80-L155 HydrophobicContact CG2-CD1 3.6Å; T80-L155 HydrophobicContact CG2-CD2 4.4Å; T80-L155 HydrophobicContact CG2-CG 3.83Å; R151-L155 VanDerWaalsContact O-CB 3.26Å; R151-L155 WeakPolarHBondContact O-CB 3.29Å; R151-L155 PolarHBondContact O-N 2.91Å; T152-L155 PolarHBondContact O-N 3.35Å; F153-L155 VanDerWaalsContact C-N 3.34Å; F153-L155 PolarHBondContact O-N 3.38Å; L155-A158 WeakPolarHBondContact O-CB 3.27Å; L155-A158 PolarHBondContact O-N 3.1Å; L155-I159 HydrophobicContact CB-CD1 4.07Å; L155-I159 HydrophobicContact CD2-CD1 4.04Å; L155-I159 HydrophobicContact CG-CD1 4.04Å; L155-I159 VanDerWaalsContact O-CB 3.22Å; L155-I159 WeakPolarHBondContact O-CB 3.37Å; L155-I159 WeakPolarHBondContact O-CD1 3.43Å; L155-I159 WeakPolarHBondContact O-CG1 3.43Å; L155-I159 PolarHBondContact O-N 2.69Å |
| 156 | T | 64.7 | Low | 56.7 | Low | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | -177.2 | -32.3 | 0 | 0 | 0 | 0 | 109.2 | F20 F69 M73 T152 F153 F154 A158 I159 F160 | F20-T156 HydrophobicContact CE2-CG2 3.42Å; F20-T156 VanDerWaalsContact CE2-CG2 3.42Å; F20-T156 HydrophobicContact CZ-CG2 3.49Å; F20-T156 VanDerWaalsContact CZ-CG2 3.49Å; F69-T156 HydrophobicContact CE2-CG2 3.98Å; F69-T156 HydrophobicContact CZ-CG2 3.84Å; M73-T156 HydrophobicContact CE-CG2 3.9Å; M73-T156 WeakPolarHBondContact CE-OG1 3.48Å; M73-T156 HydrophobicContact SD-CG2 4.26Å; T152-T156 WeakPolarHBondContact O-CB 3.2Å; T152-T156 PolarHBondContact O-N 2.93Å; T152-T156 PolarHBondContact O-OG1 3.13Å; F153-T156 PolarHBondContact O-N 3.33Å; F154-T156 PolarHBondContact O-N 3.44Å; T156-A158 VanDerWaalsContact C-N 3.32Å; T156-A158 PolarHBondContact O-N 2.95Å; T156-I159 PolarHBondContact O-N 2.97Å; T156-F160 HydrophobicContact CG2-CD2 3.84Å; T156-F160 HydrophobicContact CG2-CE2 3.98Å; T156-F160 VanDerWaalsContact O-CB 3.31Å; T156-F160 WeakPolarHBondContact O-CB 3.32Å; T156-F160 VanDerWaalsContact O-CD2 3.29Å; T156-F160 WeakPolarHBondContact O-CD2 3.32Å; T156-F160 PolarHBondContact O-N 2.98Å |
| 157 | V | 64.7 | Low | 56.5 | Low | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | L40 V92 F93 L113 F153 T161 | L40-V157 HydrophobicContact CD1-CG1 3.91Å; L40-V157 HydrophobicContact CD1-CG2 4.39Å; L40-V157 HydrophobicContact CD2-CG1 3.75Å; L40-V157 HydrophobicContact CD2-CG2 4.34Å; L40-V157 HydrophobicContact CG-CG1 4.46Å; V92-V157 HydrophobicContact CG1-CG1 4Å; F93-V157 HydrophobicContact CE2-CB 4.07Å; F93-V157 HydrophobicContact CE2-CG1 3.66Å; F93-V157 HydrophobicContact CZ-CB 4.09Å; F93-V157 HydrophobicContact CZ-CG1 3.89Å; F93-V157 HydrophobicContact CZ-CG2 4.27Å; L113-V157 HydrophobicContact CD1-CG2 4.25Å; F153-V157 HydrophobicContact CD1-CG2 4.3Å; F153-V157 HydrophobicContact CE1-CG2 4.19Å; F153-V157 HydrophobicContact CZ-CG2 4.44Å; F153-V157 WeakPolarHBondContact O-CB 3.35Å; F153-V157 WeakPolarHBondContact O-CG2 3.33Å; F153-V157 PolarHBondContact O-N 2.83Å; V157-T161 WeakPolarHBondContact O-CB 3.37Å; V157-T161 PolarHBondContact O-N 2.85Å; V157-T161 PolarHBondContact O-OG1 3Å |
| 158 | A | 63.2 | Low | 56.9 | Low | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.7 | -61.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A89 F154 L155 T156 F160 T161 L162 | A89-A158 HydrophobicContact CB-CB 3.18Å; F154-A158 WeakPolarHBondContact O-CA 3.31Å; F154-A158 WeakPolarHBondContact O-CB 3.38Å; F154-A158 PolarHBondContact O-N 3.44Å; L155-A158 WeakPolarHBondContact O-CB 3.27Å; L155-A158 PolarHBondContact O-N 3.1Å; T156-A158 VanDerWaalsContact C-N 3.32Å; T156-A158 PolarHBondContact O-N 2.95Å; A158-F160 VanDerWaalsContact C-N 3.28Å; A158-F160 PolarHBondContact O-N 3.45Å; A158-T161 PolarHBondContact O-N 2.88Å; A158-L162 HydrophobicContact CB-CD1 4.34Å; A158-L162 VanDerWaalsContact O-CB 3.23Å; A158-L162 WeakPolarHBondContact O-CB 3.48Å; A158-L162 WeakPolarHBondContact O-CD1 3.35Å; A158-L162 WeakPolarHBondContact O-CG 3.39Å; A158-L162 PolarHBondContact O-N 3.34Å |
| 159 | I | 64 | Low | 57.3 | Low | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.1 | -49.9 | -173.9 | -71 | 158.9 | 0 | 0 | 0 | 109.4 | M73 K76 L155 T156 T161 Q163 | M73-I159 HydrophobicContact SD-CD1 4.24Å; K76-I159 HydrophobicContact CB-CD1 3.36Å; K76-I159 HydrophobicContact CB-CG1 4.02Å; K76-I159 HydrophobicContact CD-CD1 4.34Å; K76-I159 HydrophobicContact CD-CG1 4.08Å; K76-I159 HydrophobicContact CD-CG2 4.28Å; K76-I159 HydrophobicContact CG-CD1 3.76Å; K76-I159 HydrophobicContact CG-CG1 4.03Å; K76-I159 HydrophobicContact CG-CG2 4.14Å; L155-I159 HydrophobicContact CB-CD1 4.07Å; L155-I159 HydrophobicContact CD2-CD1 4.04Å; L155-I159 HydrophobicContact CG-CD1 4.04Å; L155-I159 VanDerWaalsContact O-CB 3.22Å; L155-I159 WeakPolarHBondContact O-CB 3.37Å; L155-I159 WeakPolarHBondContact O-CD1 3.43Å; L155-I159 WeakPolarHBondContact O-CG1 3.43Å; L155-I159 PolarHBondContact O-N 2.69Å; T156-I159 PolarHBondContact O-N 2.97Å; I159-T161 PolarHBondContact O-N 3.01Å; I159-Q163 PolarHBondContact O-N 2.93Å; I159-Q163 VanDerWaalsContact O-N 3.12Å; I159-Q163 PolarHBondContact O-OE1 2.86Å |
| 160 | F | 64.1 | Low | 57.7 | Low | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | -179.4 | -89.4 | -72 | 0 | 0 | 0 | 110.6 | F20 L33 M37 M52 M72 T156 A158 | F20-F160 HydrophobicContact CE1-CD2 4.2Å; F20-F160 HydrophobicContact CE1-CE2 4.35Å; F20-F160 HydrophobicContact CZ-CD2 4.15Å; F20-F160 HydrophobicContact CZ-CE2 4.41Å; L33-F160 HydrophobicContact CD1-CD1 3.36Å; L33-F160 HydrophobicContact CD1-CE1 3.06Å; L33-F160 HydrophobicContact CD1-CE2 4.26Å; L33-F160 HydrophobicContact CD1-CG 4.16Å; L33-F160 HydrophobicContact CD1-CZ 3.55Å; L33-F160 HydrophobicContact CD2-CD1 4.18Å; L33-F160 HydrophobicContact CD2-CE1 3.59Å; L33-F160 HydrophobicContact CD2-CZ 4.49Å; L33-F160 HydrophobicContact CG-CD1 4.19Å; L33-F160 HydrophobicContact CG-CE1 3.88Å; M37-F160 HydrophobicContact CE-CB 3.35Å; M37-F160 HydrophobicContact CE-CD1 3.72Å; M37-F160 HydrophobicContact CE-CG 4Å; M37-F160 WeakPolarHBondContact CE-O 3.33Å; M52-F160 HydrophobicContact CE-CB 4.39Å; M52-F160 HydrophobicContact CE-CD1 3.16Å; M52-F160 HydrophobicContact CE-CE1 3.62Å; M52-F160 HydrophobicContact CE-CG 4.11Å; M52-F160 HydrophobicContact SD-CD1 4.4Å; M72-F160 HydrophobicContact CE-CE2 3.87Å; M72-F160 HydrophobicContact CE-CZ 4.28Å; M72-F160 HydrophobicContact SD-CE2 4.04Å; M72-F160 HydrophobicContact SD-CZ 4Å; T156-F160 HydrophobicContact CG2-CD2 3.84Å; T156-F160 HydrophobicContact CG2-CE2 3.98Å; T156-F160 VanDerWaalsContact O-CB 3.31Å; T156-F160 WeakPolarHBondContact O-CB 3.32Å; T156-F160 VanDerWaalsContact O-CD2 3.29Å; T156-F160 WeakPolarHBondContact O-CD2 3.32Å; T156-F160 PolarHBondContact O-N 2.98Å; A158-F160 VanDerWaalsContact C-N 3.28Å; A158-F160 PolarHBondContact O-N 3.45Å |
| 161 | T | 62.5 | Low | 58 | Low | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.4 | -34.9 | -178 | -49.3 | 0 | 0 | 0 | 0 | 113.5 | Q42 V92 V157 A158 I159 N164 S165 | Q42-T161 HydrophobicContact CG-CG2 3.69Å; V92-T161 HydrophobicContact CB-CG2 4.41Å; V92-T161 HydrophobicContact CG1-CG2 4.26Å; V92-T161 HydrophobicContact CG2-CG2 3.26Å; V157-T161 WeakPolarHBondContact O-CB 3.37Å; V157-T161 PolarHBondContact O-N 2.85Å; V157-T161 PolarHBondContact O-OG1 3Å; A158-T161 PolarHBondContact O-N 2.88Å; I159-T161 PolarHBondContact O-N 3.01Å; T161-N164 PolarHBondContact O-N 3Å; T161-S165 PolarHBondContact O-N 2.75Å; T161-S165 PolarHBondContact O-OG 3.38Å |
| 162 | L | 57.5 | Low | 58 | Low | 23 Ų | 23 | 33.6 Ų | 33.6 | 12% | 0.12 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.6 | -89.4 | 160 | 0 | 0 | 0 | 112.7 | E85 E88 A158 N164 S165 | E85-L162 HydrophobicContact CB-CD1 3.51Å; E85-L162 HydrophobicContact CG-CD1 3.69Å; E85-L162 HydrophobicContact CG-CD2 4.39Å; E85-L162 WeakPolarHBondContact O-CD1 3.26Å; E88-L162 HydrophobicContact CB-CD2 3.33Å; E88-L162 HydrophobicContact CB-CG 3.85Å; E88-L162 HydrophobicContact CG-CD2 3.55Å; E88-L162 WeakPolarHBondContact OE2-CD2 3.29Å; A158-L162 HydrophobicContact CB-CD1 4.34Å; A158-L162 VanDerWaalsContact O-CB 3.23Å; A158-L162 WeakPolarHBondContact O-CB 3.48Å; A158-L162 WeakPolarHBondContact O-CD1 3.35Å; A158-L162 WeakPolarHBondContact O-CG 3.39Å; A158-L162 PolarHBondContact O-N 3.34Å; L162-N164 PolarHBondContact O-N 3.14Å; L162-S165 PolarHBondContact O-N 3.11Å; L162-S165 VanDerWaalsContact O-N 3.11Å |
| 163 | Q | 57.1 | Low | 58 | Low | 55 Ų | 55 | 35.7 Ų | 35.7 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.5 | -27.3 | 176.2 | -92 | 169 | -60.5 | 0 | 0 | 112.1 | M52 E55 I159 | M52-Q163 HydrophobicContact CE-CB 3.62Å; M52-Q163 HydrophobicContact CE-CG 4.37Å; M52-Q163 HydrophobicContact SD-CB 4.42Å; E55-Q163 PolarHBondContact OE2-NE2 3.39Å; I159-Q163 PolarHBondContact O-N 2.93Å; I159-Q163 VanDerWaalsContact O-N 3.12Å; I159-Q163 PolarHBondContact O-OE1 2.86Å |
| 164 | N | 52.6 | Low | 57.7 | Low | 15 Ų | 15 | 37.7 Ų | 37.7 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -83.4 | -24.2 | 176.2 | -116.2 | -88.9 | 0 | 0 | 0 | 114.5 | P44 T161 L162 S166 | P44-N164 WeakPolarHBondContact CB-ND2 3.14Å; P44-N164 WeakPolarHBondContact CB-OD1 3.26Å; T161-N164 PolarHBondContact O-N 3Å; L162-N164 PolarHBondContact O-N 3.14Å; N164-S166 VanDerWaalsContact C-N 3.3Å; N164-S166 PolarHBondContact O-N 2.92Å |
| 165 | S | 47.8 | Very low | 57.2 | Low | 59 Ų | 59 | 38.7 Ų | 38.7 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -83.3 | -7.3 | -173 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | T161 L162 | T161-S165 PolarHBondContact O-N 2.75Å; T161-S165 PolarHBondContact O-OG 3.38Å; L162-S165 PolarHBondContact O-N 3.11Å; L162-S165 VanDerWaalsContact O-N 3.11Å |
| 166 | S | 46.5 | Very low | 56.9 | Low | 107 Ų | 107 | 40.4 Ų | 40.4 | 75% | 0.748 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 12.5 | -178.3 | -69.6 | 0 | 0 | 0 | 0 | 115.5 | N164 | N164-S166 VanDerWaalsContact C-N 3.3Å; N164-S166 PolarHBondContact O-N 2.92Å |
| 167 | Q | 38.1 | Very low | 56.2 | Low | 211 Ų | 211 | 44 Ų | 44 | 99% | 0.986 | 24% | 0.244 | S | C | * | . | trans | -115.6 | 0 | 171.1 | -70.9 | -150.1 | 19.1 | 0 | 0 | 113.9 |
Retrieved 167 of 167 residues in 398.4 ms
(Link to these results)