| 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 | 54.3 | Low | 69 | Low | 222 Ų | 222 | 111.3 Ų | 111.3 | 100% | 1.094 | 56% | 0.556 | S | S | * | * | 0 | -8.3 | 0 | -67.8 | -167.2 | 178 | 0 | 0 | 114.4 | |||||
| 2 | S | 60.8 | Low | 70 | Confident | 73 Ų | 73 | 108.8 Ų | 108.8 | 51% | 0.51 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74 | -37.4 | -173.7 | 48.5 | 0 | 0 | 0 | 0 | 114.9 | W4 R5 V6 | S2-W4 VanDerWaalsContact C-N 3.29Å; S2-W4 PolarHBondContact O-N 3.44Å; S2-R5 WeakPolarHBondContact O-CA 3.35Å; S2-R5 WeakPolarHBondContact O-CB 3.14Å; S2-R5 PolarHBondContact O-N 3.13Å; S2-V6 WeakPolarHBondContact O-CG2 3.2Å; S2-V6 PolarHBondContact O-N 3.22Å |
| 3 | F | 61.8 | Low | 71 | Confident | 165 Ų | 165 | 105.3 Ų | 105.3 | 72% | 0.724 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60 | -34.7 | -175.4 | -72.5 | -79.8 | 0 | 0 | 0 | 114.4 | R5 F7 | F3-R5 VanDerWaalsContact C-N 3.34Å; F3-F7 VanDerWaalsContact O-CB 3.25Å; F3-F7 WeakPolarHBondContact O-CB 3.34Å; F3-F7 PolarHBondContact O-N 3.25Å |
| 4 | W | 62.3 | Low | 71.5 | Confident | 160 Ų | 160 | 101.8 Ų | 101.8 | 61% | 0.606 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.8 | -29.9 | 176.8 | -137.4 | 44.7 | 0 | 0 | 0 | 112 | S2 S8 K102 | S2-W4 VanDerWaalsContact C-N 3.29Å; S2-W4 PolarHBondContact O-N 3.44Å; W4-S8 WeakPolarHBondContact O-CB 3.27Å; W4-S8 PolarHBondContact O-N 3.45Å; W4-K102 HydrophobicContact CZ2-CD 4.43Å |
| 5 | R | 68.8 | Low | 71.7 | Confident | 196 Ų | 196 | 99.3 Ų | 99.3 | 74% | 0.74 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.1 | -45.1 | 172.7 | -67 | -156.8 | 163.8 | -156 | -3.2 | 111.6 | S2 F3 F7 S8 V9 | S2-R5 WeakPolarHBondContact O-CA 3.35Å; S2-R5 WeakPolarHBondContact O-CB 3.14Å; S2-R5 PolarHBondContact O-N 3.13Å; F3-R5 VanDerWaalsContact C-N 3.34Å; R5-F7 VanDerWaalsContact C-N 3.28Å; R5-F7 PolarHBondContact O-N 3.32Å; R5-S8 PolarHBondContact O-N 3.23Å; R5-V9 WeakPolarHBondContact O-CB 3.13Å; R5-V9 VanDerWaalsContact O-CG2 3.23Å; R5-V9 WeakPolarHBondContact O-CG2 3.43Å; R5-V9 PolarHBondContact O-N 2.85Å |
| 6 | V | 72.3 | Confident | 72.4 | Confident | 88 Ų | 88 | 104.6 Ų | 104.6 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | S2 V9 V10 | S2-V6 WeakPolarHBondContact O-CG2 3.2Å; S2-V6 PolarHBondContact O-N 3.22Å; V6-V9 PolarHBondContact O-N 2.78Å; V6-V10 HydrophobicContact CG1-CG2 4.41Å; V6-V10 VanDerWaalsContact O-CG2 3.27Å; V6-V10 WeakPolarHBondContact O-CG2 3.38Å; V6-V10 PolarHBondContact O-N 3.44Å |
| 7 | F | 69.3 | Low | 72.9 | Confident | 23 Ų | 23 | 104.4 Ų | 104.4 | 10% | 0.101 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 176.3 | -174.9 | -122.2 | 0 | 0 | 0 | 113.1 | F3 R5 V9 V10 I11 F94 L95 | F3-F7 VanDerWaalsContact O-CB 3.25Å; F3-F7 WeakPolarHBondContact O-CB 3.34Å; F3-F7 PolarHBondContact O-N 3.25Å; R5-F7 VanDerWaalsContact C-N 3.28Å; R5-F7 PolarHBondContact O-N 3.32Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 2.88Å; F7-V10 PolarHBondContact O-N 3.06Å; F7-I11 HydrophobicContact CD1-CD1 3.55Å; F7-I11 HydrophobicContact CD2-CD1 3.92Å; F7-I11 HydrophobicContact CD2-CG1 4.24Å; F7-I11 HydrophobicContact CE1-CD1 3.11Å; F7-I11 HydrophobicContact CE1-CG1 4.33Å; F7-I11 HydrophobicContact CE2-CD1 3.5Å; F7-I11 HydrophobicContact CE2-CG1 3.89Å; F7-I11 HydrophobicContact CG-CD1 3.97Å; F7-I11 HydrophobicContact CZ-CD1 3.12Å; F7-I11 HydrophobicContact CZ-CG1 3.99Å; F7-I11 WeakPolarHBondContact O-CB 3.46Å; F7-I11 WeakPolarHBondContact O-CG1 3.5Å; F7-I11 PolarHBondContact O-N 3.04Å; F7-F94 HydrophobicContact CB-CE1 4.42Å; F7-F94 AromaticContact CD2-CD1 3.41Å; F7-F94 HydrophobicContact CD2-CD1 3.41Å; F7-F94 VanDerWaalsContact CD2-CD1 3.41Å; F7-F94 AromaticContact CD2-CE1 3.24Å; F7-F94 HydrophobicContact CD2-CE1 3.24Å; F7-F94 HydrophobicContact CD2-CZ 4.44Å; F7-F94 AromaticContact CE2-CD1 3.24Å; F7-F94 HydrophobicContact CE2-CD1 3.24Å; F7-F94 AromaticContact CE2-CE1 3.64Å; F7-F94 HydrophobicContact CE2-CE1 3.64Å; F7-F94 HydrophobicContact CE2-CG 4.37Å; F7-F94 HydrophobicContact CG-CD1 4.47Å; F7-F94 HydrophobicContact CG-CE1 4.05Å; F7-F94 HydrophobicContact CZ-CD1 4.18Å; F7-L95 HydrophobicContact CE1-CD1 3.36Å; F7-L95 HydrophobicContact CZ-CB 4.15Å; F7-L95 HydrophobicContact CZ-CD1 3.26Å; F7-L95 HydrophobicContact CZ-CG 4.29Å |
| 8 | S | 73.9 | Confident | 72.7 | Confident | 64 Ų | 64 | 104.4 Ų | 104.4 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.7 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | W4 R5 V10 I11 V12 | W4-S8 WeakPolarHBondContact O-CB 3.27Å; W4-S8 PolarHBondContact O-N 3.45Å; R5-S8 PolarHBondContact O-N 3.23Å; S8-V10 PolarHBondContact O-N 2.89Å; S8-I11 PolarHBondContact O-N 3.39Å; S8-V12 WeakPolarHBondContact O-CB 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.48Å; S8-V12 PolarHBondContact O-N 3.16Å |
| 9 | V | 79.9 | Confident | 72.7 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 61% | 0.606 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 177.7 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | R5 V6 F7 S13 | R5-V9 WeakPolarHBondContact O-CB 3.13Å; R5-V9 VanDerWaalsContact O-CG2 3.23Å; R5-V9 WeakPolarHBondContact O-CG2 3.43Å; R5-V9 PolarHBondContact O-N 2.85Å; V6-V9 PolarHBondContact O-N 2.78Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 2.88Å; V9-S13 WeakPolarHBondContact O-CB 3.22Å; V9-S13 PolarHBondContact O-N 2.98Å |
| 10 | V | 79 | Confident | 72.7 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.485 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | V6 F7 S8 T14 | V6-V10 HydrophobicContact CG1-CG2 4.41Å; V6-V10 VanDerWaalsContact O-CG2 3.27Å; V6-V10 WeakPolarHBondContact O-CG2 3.38Å; V6-V10 PolarHBondContact O-N 3.44Å; F7-V10 PolarHBondContact O-N 3.06Å; S8-V10 PolarHBondContact O-N 2.89Å; V10-T14 HydrophobicContact CG1-CG2 4.49Å; V10-T14 WeakPolarHBondContact O-CB 3.48Å; V10-T14 VanDerWaalsContact O-CG2 3.29Å; V10-T14 WeakPolarHBondContact O-CG2 3.36Å; V10-T14 PolarHBondContact O-N 3.31Å; V10-T14 PolarHBondContact O-OG1 2.95Å |
| 11 | I | 77.1 | Confident | 72.4 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 27% | 0.272 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 174.8 | -71.2 | 164.5 | 0 | 0 | 0 | 110.9 | F7 S8 S13 T14 C15 | F7-I11 HydrophobicContact CD1-CD1 3.55Å; F7-I11 HydrophobicContact CD2-CD1 3.92Å; F7-I11 HydrophobicContact CD2-CG1 4.24Å; F7-I11 HydrophobicContact CE1-CD1 3.11Å; F7-I11 HydrophobicContact CE1-CG1 4.33Å; F7-I11 HydrophobicContact CE2-CD1 3.5Å; F7-I11 HydrophobicContact CE2-CG1 3.89Å; F7-I11 HydrophobicContact CG-CD1 3.97Å; F7-I11 HydrophobicContact CZ-CD1 3.12Å; F7-I11 HydrophobicContact CZ-CG1 3.99Å; F7-I11 WeakPolarHBondContact O-CB 3.46Å; F7-I11 WeakPolarHBondContact O-CG1 3.5Å; F7-I11 PolarHBondContact O-N 3.04Å; S8-I11 PolarHBondContact O-N 3.39Å; I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.31Å; I11-T14 WeakPolarHBondContact CA-OG1 3.47Å; I11-T14 PolarHBondContact O-N 3.25Å; I11-T14 PolarHBondContact O-OG1 3.27Å; I11-C15 VanDerWaalsContact O-CB 3.24Å; I11-C15 WeakPolarHBondContact O-CB 3.24Å; I11-C15 PolarHBondContact O-N 3.22Å |
| 12 | V | 80.4 | Confident | 72.4 | Confident | 81 Ų | 81 | 99.7 Ų | 99.7 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | -178.8 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | S8 W16 | S8-V12 WeakPolarHBondContact O-CB 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.48Å; S8-V12 PolarHBondContact O-N 3.16Å; V12-W16 WeakPolarHBondContact O-CB 3.29Å; V12-W16 PolarHBondContact O-N 3Å |
| 13 | S | 83.1 | Confident | 72.1 | Confident | 64 Ų | 64 | 102.2 Ų | 102.2 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | V9 I11 W16 L17 | V9-S13 WeakPolarHBondContact O-CB 3.22Å; V9-S13 PolarHBondContact O-N 2.98Å; I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.31Å; S13-W16 PolarHBondContact O-N 3.48Å; S13-L17 WeakPolarHBondContact O-CG 3.37Å; S13-L17 PolarHBondContact O-N 3.34Å |
| 14 | T | 78.3 | Confident | 71.8 | Confident | 56 Ų | 56 | 102.8 Ų | 102.8 | 34% | 0.344 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 178 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | V10 I11 L17 L18 | V10-T14 HydrophobicContact CG1-CG2 4.49Å; V10-T14 WeakPolarHBondContact O-CB 3.48Å; V10-T14 VanDerWaalsContact O-CG2 3.29Å; V10-T14 WeakPolarHBondContact O-CG2 3.36Å; V10-T14 PolarHBondContact O-N 3.31Å; V10-T14 PolarHBondContact O-OG1 2.95Å; I11-T14 WeakPolarHBondContact CA-OG1 3.47Å; I11-T14 PolarHBondContact O-N 3.25Å; I11-T14 PolarHBondContact O-OG1 3.27Å; T14-L17 PolarHBondContact O-N 3.44Å; T14-L18 WeakPolarHBondContact O-CB 3.38Å; T14-L18 VanDerWaalsContact O-CG 3.27Å; T14-L18 WeakPolarHBondContact O-CG 3.48Å; T14-L18 PolarHBondContact O-N 3.38Å |
| 15 | C | 73.6 | Confident | 71.2 | Confident | 65 Ų | 65 | 101.1 Ų | 101.1 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 171 | -94.3 | 0 | 0 | 0 | 0 | 111.8 | I11 L17 L18 V19 | I11-C15 VanDerWaalsContact O-CB 3.24Å; I11-C15 WeakPolarHBondContact O-CB 3.24Å; I11-C15 PolarHBondContact O-N 3.22Å; C15-L17 VanDerWaalsContact C-N 3.35Å; C15-L18 PolarHBondContact O-N 2.98Å; C15-V19 WeakPolarHBondContact O-CB 3.25Å; C15-V19 VanDerWaalsContact O-CG2 3.25Å; C15-V19 WeakPolarHBondContact O-CG2 3.36Å; C15-V19 PolarHBondContact O-N 2.87Å |
| 16 | W | 83.8 | Confident | 70.1 | Confident | 183 Ų | 183 | 96.3 Ų | 96.3 | 69% | 0.693 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 177.7 | -167.8 | -86.6 | 0 | 0 | 0 | 110.9 | V12 S13 L18 V19 L20 | V12-W16 WeakPolarHBondContact O-CB 3.29Å; V12-W16 PolarHBondContact O-N 3Å; S13-W16 PolarHBondContact O-N 3.48Å; W16-L18 VanDerWaalsContact C-N 3.34Å; W16-L18 PolarHBondContact O-N 2.84Å; W16-V19 PolarHBondContact O-N 2.75Å; W16-L20 VanDerWaalsContact O-CB 3.27Å; W16-L20 WeakPolarHBondContact O-CB 3.21Å; W16-L20 PolarHBondContact O-N 3.25Å |
| 17 | L | 80.7 | Confident | 68.9 | Low | 102 Ų | 102 | 97 Ų | 97 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -39.1 | 174 | -72.6 | 169.1 | 0 | 0 | 0 | 112.3 | S13 T14 C15 S21 | S13-L17 WeakPolarHBondContact O-CG 3.37Å; S13-L17 PolarHBondContact O-N 3.34Å; T14-L17 PolarHBondContact O-N 3.44Å; C15-L17 VanDerWaalsContact C-N 3.35Å; L17-S21 WeakPolarHBondContact O-CB 3.25Å; L17-S21 PolarHBondContact O-N 2.96Å; L17-S21 PolarHBondContact O-OG 2.82Å |
| 18 | L | 69.7 | Low | 67.6 | Low | 105 Ų | 105 | 99.3 Ų | 99.3 | 55% | 0.55 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.5 | -35.6 | 177.7 | -76.5 | 167.8 | 0 | 0 | 0 | 113.4 | T14 C15 W16 S21 K22 | T14-L18 WeakPolarHBondContact O-CB 3.38Å; T14-L18 VanDerWaalsContact O-CG 3.27Å; T14-L18 WeakPolarHBondContact O-CG 3.48Å; T14-L18 PolarHBondContact O-N 3.38Å; C15-L18 PolarHBondContact O-N 2.98Å; W16-L18 VanDerWaalsContact C-N 3.34Å; W16-L18 PolarHBondContact O-N 2.84Å; L18-S21 PolarHBondContact O-N 3.25Å; L18-K22 PolarHBondContact O-N 3.33Å |
| 19 | V | 72 | Confident | 66.5 | Low | 94 Ų | 94 | 103.4 Ų | 103.4 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72 | -42.9 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | C15 W16 S21 K22 | C15-V19 WeakPolarHBondContact O-CB 3.25Å; C15-V19 VanDerWaalsContact O-CG2 3.25Å; C15-V19 WeakPolarHBondContact O-CG2 3.36Å; C15-V19 PolarHBondContact O-N 2.87Å; W16-V19 PolarHBondContact O-N 2.75Å; V19-S21 PolarHBondContact O-N 2.94Å; V19-K22 WeakPolarHBondContact O-CB 3.39Å; V19-K22 PolarHBondContact O-N 3Å |
| 20 | L | 73.7 | Confident | 64.5 | Low | 113 Ų | 113 | 103 Ų | 103 | 59% | 0.592 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.6 | -26 | 174.3 | -168.1 | 65 | 0 | 0 | 0 | 112.4 | W16 K22 | W16-L20 VanDerWaalsContact O-CB 3.27Å; W16-L20 WeakPolarHBondContact O-CB 3.21Å; W16-L20 PolarHBondContact O-N 3.25Å; L20-K22 VanDerWaalsContact C-N 3.34Å |
| 21 | S | 66.7 | Low | 63.3 | Low | 82 Ų | 82 | 104.9 Ų | 104.9 | 57% | 0.573 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -8 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | L17 L18 V19 | L17-S21 WeakPolarHBondContact O-CB 3.25Å; L17-S21 PolarHBondContact O-N 2.96Å; L17-S21 PolarHBondContact O-OG 2.82Å; L18-S21 PolarHBondContact O-N 3.25Å; V19-S21 PolarHBondContact O-N 2.94Å |
| 22 | K | 54.1 | Low | 61.1 | Low | 147 Ų | 147 | 108.7 Ų | 108.7 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -87.9 | -12.3 | -177.6 | -100.7 | -170.5 | 166.9 | 79 | 0 | 114.2 | L18 V19 L20 E24 V25 | L18-K22 PolarHBondContact O-N 3.33Å; V19-K22 WeakPolarHBondContact O-CB 3.39Å; V19-K22 PolarHBondContact O-N 3Å; L20-K22 VanDerWaalsContact C-N 3.34Å; K22-E24 PolarHBondContact O-N 2.77Å; K22-E24 VanDerWaalsContact O-N 3.14Å; K22-V25 PolarHBondContact O-N 2.89Å |
| 23 | D | 54.5 | Low | 59.1 | Low | 126 Ų | 126 | 111.4 Ų | 111.4 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -8.3 | 178.5 | -71.5 | -35.5 | 0 | 0 | 0 | 113.5 | ||
| 24 | E | 54.1 | Low | 57.3 | Low | 177 Ų | 177 | 113.6 Ų | 113.6 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 9.2 | 179.6 | -64.4 | -72.4 | 144.7 | 0 | 0 | 113.8 | K22 | K22-E24 PolarHBondContact O-N 2.77Å; K22-E24 VanDerWaalsContact O-N 3.14Å |
| 25 | V | 50.2 | Low | 55.1 | Low | 125 Ų | 125 | 115.8 Ų | 115.8 | 76% | 0.758 | 71% | 0.709 | S | S | * | * | trans | -127.2 | 27.5 | 178.8 | -163.9 | 0 | 0 | 0 | 0 | 111.9 | K22 | K22-V25 PolarHBondContact O-N 2.89Š| ||
| 26 | A | 46.5 | Very low | 53.4 | Low | 95 Ų | 95 | 117.1 Ų | 117.1 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -104.2 | 52 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 27 | A | 47.2 | Very low | 51.1 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -143.2 | 103.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 28 | G | 42.1 | Very low | 49 | Very low | 73 Ų | 73 | 113.9 Ų | 113.9 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 123.5 | 42 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 29 | T | 50.3 | Low | 47.9 | Very low | 149 Ų | 149 | 114.4 Ų | 114.4 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | trans | -150.9 | 98.5 | 145.9 | -30.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | A | 38.5 | Very low | 46.1 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -137.5 | 135 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 31 | P | 52.7 | Low | 44.4 | Very low | 121 Ų | 121 | 116.8 Ų | 116.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -87.3 | 144.6 | -175.5 | 35.7 | -32.7 | 0 | 0 | 0 | 110.6 | ||||
| 32 | T | 32 | Very low | 43.3 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -150.2 | 101.4 | 164.4 | -36 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 33 | T | 37.5 | Very low | 42.7 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -97.1 | 131.6 | 143.1 | -54.6 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 34 | P | 44.6 | Very low | 42.4 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | -152.7 | 174.7 | 78.1 | 37.8 | -16.4 | 0 | 0 | 0 | 116.8 | |||||
| 35 | A | 33.2 | Very low | 41.8 | Very low | 103 Ų | 103 | 116.6 Ų | 116.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 113.6 | 126.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 36 | A | 38.3 | Very low | 41.8 | Very low | 93 Ų | 93 | 117.4 Ų | 117.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -84.9 | 160.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 37 | T | 34.8 | Very low | 41.6 | Very low | 147 Ų | 147 | 117.9 Ų | 117.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | 168.8 | 126.1 | 123.4 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 38 | G | 35.9 | Very low | 41.7 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 106.7 | 126.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 39 | P | 46.5 | Very low | 42.1 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -98 | 179.5 | -167.4 | 39.2 | -33.8 | 0 | 0 | 0 | 114 | ||||
| 40 | T | 35.6 | Very low | 42 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 95.9 | 105 | 165.1 | 66.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 41 | T | 37.8 | Very low | 42.6 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | 147.2 | 99.8 | 118.5 | -65.9 | 0 | 0 | 0 | 0 | 109.4 | K43 | T41-K43 PolarHBondContact O-N 3.44Š| |||
| 42 | V | 42.5 | Very low | 42.3 | Very low | 144 Ų | 144 | 125 Ų | 125 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 117.3 | 171 | -166 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 43 | K | 41.8 | Very low | 43.2 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -136.7 | 104.9 | 165.1 | -157.6 | 175.3 | -172.9 | 177.3 | 0 | 108.3 | T41 A45 | T41-K43 PolarHBondContact O-N 3.44Å; K43-A45 PolarHBondContact O-N 3.37Å; K43-A45 VanDerWaalsContact O-N 3.17Å | ||
| 44 | P | 49 | Very low | 43.7 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -82.4 | 94 | 170.9 | 31.9 | -26 | 0 | 0 | 0 | 106.9 | ||||
| 45 | A | 40.6 | Very low | 44 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | -97.8 | 96.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | K43 S47 | K43-A45 PolarHBondContact O-N 3.37Å; K43-A45 VanDerWaalsContact O-N 3.17Å; A45-S47 PolarHBondContact O-N 3.49Å; A45-S47 VanDerWaalsContact O-N 3.13Å | ||
| 46 | V | 50.3 | Low | 44.7 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -52.9 | 113.7 | 161.3 | 169.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 47 | S | 41.9 | Very low | 45.2 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -122 | 97.3 | 166 | -153.3 | 0 | 0 | 0 | 0 | 107.9 | A45 S49 | A45-S47 PolarHBondContact O-N 3.49Å; A45-S47 VanDerWaalsContact O-N 3.13Å; S47-S49 PolarHBondContact O-N 3.41Å | ||
| 48 | N | 50.2 | Low | 45.5 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -71.4 | 113.8 | 165.9 | -169.6 | 11.2 | 0 | 0 | 0 | 107.5 | ||||
| 49 | S | 49.7 | Very low | 46.2 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -155.5 | 102.7 | 162.8 | 62 | 0 | 0 | 0 | 0 | 111.5 | S47 | S47-S49 PolarHBondContact O-N 3.41Š| ||
| 50 | S | 48.8 | Very low | 45.9 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 40.7 | 106 | 130.7 | 59.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 51 | R | 51.5 | Low | 46.8 | Very low | 235 Ų | 235 | 123.6 Ų | 123.6 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | 49.3 | 105.3 | 124.5 | -161.9 | 177.9 | -172.5 | 172.6 | 1.4 | 117 | |||||
| 52 | A | 46.2 | Very low | 47.3 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -131 | 89.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S54 | A52-S54 PolarHBondContact O-N 2.94Š| ||
| 53 | N | 50.8 | Low | 48 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | trans | -73.9 | 101 | 158.2 | 171.1 | 75.8 | 0 | 0 | 0 | 106.8 | ||||
| 54 | S | 47.7 | Very low | 48.3 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -101.9 | 86.2 | 170.9 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | A52 L56 | A52-S54 PolarHBondContact O-N 2.94Å; S54-L56 PolarHBondContact O-N 3.32Å | ||
| 55 | T | 51 | Low | 48.6 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -70.1 | 95.7 | 155.1 | 43.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 56 | L | 47.5 | Very low | 48.9 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -100.9 | 86.1 | 169 | -152.5 | 77.5 | 0 | 0 | 0 | 108.7 | S54 G58 | S54-L56 PolarHBondContact O-N 3.32Å; L56-G58 PolarHBondContact O-N 3.14Å | ||
| 57 | S | 49.1 | Very low | 48.9 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -69.7 | 103.9 | 161.5 | 51.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 58 | G | 41.6 | Very low | 49.4 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -131.7 | 93.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L56 G60 | L56-G58 PolarHBondContact O-N 3.14Å; G58-G60 PolarHBondContact O-N 3.23Å | ||
| 59 | S | 50.4 | Low | 49.7 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 92% | 0.923 | 77% | 0.767 | S | S | * | * | trans | -52.2 | 119.7 | 169.6 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 60 | G | 40.6 | Very low | 49.9 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | -143.4 | 100.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | G58 T62 | G58-G60 PolarHBondContact O-N 3.23Å; G60-T62 PolarHBondContact O-N 3.47Å; G60-T62 VanDerWaalsContact O-N 3.15Å | ||
| 61 | S | 54.6 | Low | 50.4 | Low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -62.2 | 113.2 | -177.9 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 62 | T | 47.7 | Very low | 51.5 | Low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -136.7 | 124 | 158.1 | -45.4 | 0 | 0 | 0 | 0 | 107.8 | G60 K64 | G60-T62 PolarHBondContact O-N 3.47Å; G60-T62 VanDerWaalsContact O-N 3.15Å; T62-K64 PolarHBondContact O-N 2.78Å | ||
| 63 | K | 57.4 | Low | 52.8 | Low | 214 Ų | 214 | 120 Ų | 120 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | trans | -51.7 | 105.3 | -170.9 | -56.5 | 177 | -173.9 | -173.2 | 0 | 110.1 | ||||
| 64 | K | 47.5 | Very low | 53.9 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | trans | -115 | 108.5 | 169.4 | -151.2 | 172.8 | -164.7 | -70.4 | 0 | 107.6 | T62 G66 | T62-K64 PolarHBondContact O-N 2.78Å; K64-G66 PolarHBondContact O-N 3.41Å | ||
| 65 | V | 55.7 | Low | 55.6 | Low | 159 Ų | 159 | 118.1 Ų | 118.1 | 96% | 0.964 | 73% | 0.725 | S | S | * | * | trans | -60.8 | 89.6 | 159.4 | 179.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 66 | G | 47.1 | Very low | 57.1 | Low | 44 Ų | 44 | 116.1 Ų | 116.1 | 45% | 0.454 | 71% | 0.709 | S | S | . | * | trans | -151.6 | 105 | -166 | 0 | 0 | 0 | 0 | 0 | 108.1 | K64 N68 | K64-G66 PolarHBondContact O-N 3.41Å; G66-N68 PolarHBondContact O-N 2.76Å; G66-N68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | F | 49.7 | Very low | 58.6 | Low | 183 Ų | 183 | 113.5 Ų | 113.5 | 80% | 0.803 | 69% | 0.693 | S | S | * | * | trans | -25.4 | 112.6 | 166.2 | -105.6 | -98.7 | 0 | 0 | 0 | 110.9 | L69 | F67-L69 HydrophobicContact CB-CD1 3.82Å; F67-L69 HydrophobicContact CB-CG 4Å; F67-L69 HydrophobicContact CD1-CD1 3.6Å; F67-L69 HydrophobicContact CD1-CD2 4.11Å; F67-L69 HydrophobicContact CD1-CG 3.69Å; F67-L69 HydrophobicContact CE1-CD1 4.47Å; F67-L69 HydrophobicContact CG-CD1 4.03Å; F67-L69 HydrophobicContact CG-CG 4.31Å; F67-L69 PolarHBondContact O-N 3.21Å | ||
| 68 | N | 52.5 | Low | 60.4 | Low | 163 Ų | 163 | 116.8 Ų | 116.8 | 87% | 0.872 | 69% | 0.687 | S | S | * | * | trans | -72.7 | 68.8 | 170.6 | -153.8 | -64.1 | 0 | 0 | 0 | 107.5 | G66 | G66-N68 PolarHBondContact O-N 2.76Å; G66-N68 VanDerWaalsContact O-N 3.08Å | ||
| 69 | L | 56.4 | Low | 62.6 | Low | 100 Ų | 100 | 116.2 Ų | 116.2 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | trans | -92.9 | 94.5 | 170.8 | -70.6 | 161.3 | 0 | 0 | 0 | 105 | F67 A71 | F67-L69 HydrophobicContact CB-CD1 3.82Å; F67-L69 HydrophobicContact CB-CG 4Å; F67-L69 HydrophobicContact CD1-CD1 3.6Å; F67-L69 HydrophobicContact CD1-CD2 4.11Å; F67-L69 HydrophobicContact CD1-CG 3.69Å; F67-L69 HydrophobicContact CE1-CD1 4.47Å; F67-L69 HydrophobicContact CG-CD1 4.03Å; F67-L69 HydrophobicContact CG-CG 4.31Å; F67-L69 PolarHBondContact O-N 3.21Å; L69-A71 HydrophobicContact CB-CB 4.09Å; L69-A71 PolarHBondContact O-N 3.31Å | ||
| 70 | G | 54.6 | Low | 64.2 | Low | 82 Ų | 82 | 114 Ų | 114 | 85% | 0.845 | 65% | 0.653 | S | S | * | * | trans | -63.9 | 44.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 71 | A | 58.8 | Low | 66.5 | Low | 46 Ų | 46 | 118.7 Ų | 118.7 | 38% | 0.38 | 65% | 0.651 | S | S | . | * | trans | -91.8 | 128.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | L69 S73 | L69-A71 HydrophobicContact CB-CB 4.09Å; L69-A71 PolarHBondContact O-N 3.31Å; A71-S73 PolarHBondContact O-N 2.76Å | ||
| 72 | D | 74.8 | Confident | 68.2 | Low | 110 Ų | 110 | 117.3 Ų | 117.3 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | trans | -48 | 126.5 | 178.4 | -56.1 | -53.8 | 0 | 0 | 0 | 109.6 | S74 M75 I76 | D72-S74 PolarHBondContact O-N 3.31Å; D72-M75 PolarHBondContact O-N 2.91Å; D72-I76 PolarHBondContact O-N 3.42Å | ||
| 73 | S | 72.6 | Confident | 70.1 | Confident | 98 Ų | 98 | 116.1 Ų | 116.1 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -51.9 | -24.7 | -177.1 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | A71 I76 Q77 | A71-S73 PolarHBondContact O-N 2.76Å; S73-I76 WeakPolarHBondContact O-CG2 3.4Å; S73-Q77 WeakPolarHBondContact O-CB 3.12Å; S73-Q77 PolarHBondContact O-N 2.85Å |
| 74 | S | 75.8 | Confident | 71.5 | Confident | 65 Ų | 65 | 110.3 Ų | 110.3 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.2 | -36.4 | 174.8 | 108 | 0 | 0 | 0 | 0 | 113.6 | D72 R78 | D72-S74 PolarHBondContact O-N 3.31Å; S74-R78 WeakPolarHBondContact O-CG 3.23Å; S74-R78 PolarHBondContact O-N 3.49Å |
| 75 | M | 82 | Confident | 73.6 | Confident | 122 Ų | 122 | 102.9 Ų | 102.9 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75 | -42.7 | 179.8 | -71.8 | -176.6 | 68.2 | 0 | 0 | 111 | D72 Q77 R78 A79 | D72-M75 PolarHBondContact O-N 2.91Å; M75-Q77 VanDerWaalsContact C-N 3.31Å; M75-Q77 PolarHBondContact O-N 2.79Å; M75-R78 PolarHBondContact O-N 2.91Å; M75-A79 PolarHBondContact O-N 2.88Å |
| 76 | I | 82.1 | Confident | 75.2 | Confident | 68 Ų | 68 | 100.5 Ų | 100.5 | 35% | 0.349 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -37.6 | 178.9 | -159.9 | 75.1 | 0 | 0 | 0 | 111 | D72 S73 R78 A79 L80 | D72-I76 PolarHBondContact O-N 3.42Å; S73-I76 WeakPolarHBondContact O-CG2 3.4Å; I76-R78 PolarHBondContact O-N 3.33Å; I76-A79 PolarHBondContact O-N 3.27Å; I76-L80 HydrophobicContact CG1-CD1 4.1Å; I76-L80 HydrophobicContact CG1-CG 4.33Å; I76-L80 WeakPolarHBondContact O-CB 3.47Å; I76-L80 WeakPolarHBondContact O-CG 3.24Å; I76-L80 PolarHBondContact O-N 3.17Å |
| 77 | Q | 80.9 | Confident | 77 | Confident | 111 Ų | 111 | 102.1 Ų | 102.1 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.2 | -44.9 | 178 | -172.6 | 176.4 | -2.2 | 0 | 0 | 111.8 | S73 M75 A79 L80 Y81 | S73-Q77 WeakPolarHBondContact O-CB 3.12Å; S73-Q77 PolarHBondContact O-N 2.85Å; M75-Q77 VanDerWaalsContact C-N 3.31Å; M75-Q77 PolarHBondContact O-N 2.79Å; Q77-A79 PolarHBondContact O-N 2.9Å; Q77-L80 PolarHBondContact O-N 3.48Å; Q77-Y81 HydrophobicContact CG-CD2 3.98Å; Q77-Y81 HydrophobicContact CG-CE2 3.8Å; Q77-Y81 VanDerWaalsContact O-CD2 3.25Å; Q77-Y81 WeakPolarHBondContact O-CD2 3.42Å; Q77-Y81 PolarHBondContact O-N 2.88Å |
| 78 | R | 86.6 | Confident | 78.8 | Confident | 190 Ų | 190 | 98.2 Ų | 98.2 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 176 | -68.5 | 175.7 | -175.7 | -143.9 | 1.6 | 111.4 | S74 M75 I76 Y81 V82 | S74-R78 WeakPolarHBondContact O-CG 3.23Å; S74-R78 PolarHBondContact O-N 3.49Å; M75-R78 PolarHBondContact O-N 2.91Å; I76-R78 PolarHBondContact O-N 3.33Å; R78-Y81 PolarHBondContact O-N 2.87Å; R78-V82 WeakPolarHBondContact O-CG2 3.1Å; R78-V82 PolarHBondContact O-N 3.4Å |
| 79 | A | 86.5 | Confident | 80.6 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M75 I76 Q77 V82 L83 | M75-A79 PolarHBondContact O-N 2.88Å; I76-A79 PolarHBondContact O-N 3.27Å; Q77-A79 PolarHBondContact O-N 2.9Å; A79-V82 PolarHBondContact O-N 3.41Å; A79-L83 WeakPolarHBondContact O-CB 3.04Å; A79-L83 PolarHBondContact O-N 3.41Å |
| 80 | L | 85.3 | Confident | 82.1 | Confident | 86 Ų | 86 | 92.7 Ų | 92.7 | 45% | 0.45 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.6 | -71 | 171.9 | 0 | 0 | 0 | 112.1 | I76 Q77 V82 L83 I84 | I76-L80 HydrophobicContact CG1-CD1 4.1Å; I76-L80 HydrophobicContact CG1-CG 4.33Å; I76-L80 WeakPolarHBondContact O-CB 3.47Å; I76-L80 WeakPolarHBondContact O-CG 3.24Å; I76-L80 PolarHBondContact O-N 3.17Å; Q77-L80 PolarHBondContact O-N 3.48Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.25Å; L80-L83 PolarHBondContact O-N 2.82Å; L80-I84 WeakPolarHBondContact O-CB 3.27Å; L80-I84 WeakPolarHBondContact O-CD1 3.34Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.38Å |
| 81 | Y | 87.1 | Confident | 83.5 | Confident | 164 Ų | 164 | 92.2 Ų | 92.2 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.7 | -41.6 | 174.7 | -89.3 | -68.8 | 0 | 0 | 0 | 112.3 | Q77 R78 G85 | Q77-Y81 HydrophobicContact CG-CD2 3.98Å; Q77-Y81 HydrophobicContact CG-CE2 3.8Å; Q77-Y81 VanDerWaalsContact O-CD2 3.25Å; Q77-Y81 WeakPolarHBondContact O-CD2 3.42Å; Q77-Y81 PolarHBondContact O-N 2.88Å; R78-Y81 PolarHBondContact O-N 2.87Å; Y81-G85 PolarHBondContact O-N 3.46Å |
| 82 | V | 91.9 | Very high | 84.8 | Confident | 91 Ų | 91 | 94.6 Ų | 94.6 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 111 | R78 A79 L80 I84 G85 I86 | R78-V82 WeakPolarHBondContact O-CG2 3.1Å; R78-V82 PolarHBondContact O-N 3.4Å; A79-V82 PolarHBondContact O-N 3.41Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.25Å; V82-I84 PolarHBondContact O-N 2.79Å; V82-G85 PolarHBondContact O-N 3.11Å; V82-I86 HydrophobicContact CG1-CD1 3.7Å; V82-I86 HydrophobicContact CG1-CG1 4.36Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.27Å; V82-I86 PolarHBondContact O-N 3.04Å |
| 83 | L | 87.4 | Confident | 85.2 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.8 | -172.2 | 74.8 | 0 | 0 | 0 | 111.7 | A79 L80 G85 I86 T87 | A79-L83 WeakPolarHBondContact O-CB 3.04Å; A79-L83 PolarHBondContact O-N 3.41Å; L80-L83 PolarHBondContact O-N 2.82Å; L83-G85 VanDerWaalsContact C-N 3.32Å; L83-G85 PolarHBondContact O-N 2.71Å; L83-I86 PolarHBondContact O-N 3.46Å; L83-T87 WeakPolarHBondContact O-CG2 3.33Å; L83-T87 PolarHBondContact O-N 2.99Å; L83-T87 PolarHBondContact O-OG1 3.13Å; L83-T87 VanDerWaalsContact O-OG1 3.11Å |
| 84 | I | 86.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 97.1 Ų | 97.1 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.8 | -65.5 | 163.4 | 0 | 0 | 0 | 110 | L80 V82 T87 I88 | L80-I84 WeakPolarHBondContact O-CB 3.27Å; L80-I84 WeakPolarHBondContact O-CD1 3.34Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.38Å; V82-I84 PolarHBondContact O-N 2.79Å; I84-T87 WeakPolarHBondContact CA-OG1 3.24Å; I84-T87 PolarHBondContact O-N 2.93Å; I84-T87 PolarHBondContact O-OG1 3.23Å; I84-I88 HydrophobicContact CG2-CD1 3.74Å; I84-I88 HydrophobicContact CG2-CG1 4.4Å; I84-I88 VanDerWaalsContact O-CG1 3.24Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 2.96Å |
| 85 | G | 90.4 | Very high | 85.6 | Confident | 25 Ų | 25 | 97.5 Ų | 97.5 | 26% | 0.258 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y81 V82 L83 T87 I88 I89 | Y81-G85 PolarHBondContact O-N 3.46Å; V82-G85 PolarHBondContact O-N 3.11Å; L83-G85 VanDerWaalsContact C-N 3.32Å; L83-G85 PolarHBondContact O-N 2.71Å; G85-T87 VanDerWaalsContact C-N 3.34Å; G85-T87 PolarHBondContact O-N 3.47Å; G85-I88 PolarHBondContact O-N 2.95Å; G85-I89 WeakPolarHBondContact O-CD1 3.29Å; G85-I89 PolarHBondContact O-N 3.35Å |
| 86 | I | 89.5 | Confident | 85.4 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | -179 | -65.5 | 164.8 | 0 | 0 | 0 | 111.2 | V82 L83 I89 G90 | V82-I86 HydrophobicContact CG1-CD1 3.7Å; V82-I86 HydrophobicContact CG1-CG1 4.36Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.27Å; V82-I86 PolarHBondContact O-N 3.04Å; L83-I86 PolarHBondContact O-N 3.46Å; I86-I89 PolarHBondContact O-N 2.94Å; I86-G90 PolarHBondContact O-N 2.87Å |
| 87 | T | 86.4 | Confident | 85 | Confident | 78 Ų | 78 | 100.1 Ų | 100.1 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | L83 I84 G85 G90 V91 | L83-T87 WeakPolarHBondContact O-CG2 3.33Å; L83-T87 PolarHBondContact O-N 2.99Å; L83-T87 PolarHBondContact O-OG1 3.13Å; L83-T87 VanDerWaalsContact O-OG1 3.11Å; I84-T87 WeakPolarHBondContact CA-OG1 3.24Å; I84-T87 PolarHBondContact O-N 2.93Å; I84-T87 PolarHBondContact O-OG1 3.23Å; G85-T87 VanDerWaalsContact C-N 3.34Å; G85-T87 PolarHBondContact O-N 3.47Å; T87-G90 PolarHBondContact O-N 3.32Å; T87-V91 WeakPolarHBondContact O-CB 3.39Å; T87-V91 VanDerWaalsContact O-CG2 3.24Å; T87-V91 WeakPolarHBondContact O-CG2 3.33Å; T87-V91 PolarHBondContact O-N 2.94Å |
| 88 | I | 87.1 | Confident | 84.2 | Confident | 101 Ų | 101 | 95.7 Ų | 95.7 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 175.4 | -66.5 | 167 | 0 | 0 | 0 | 110.9 | I84 G85 G90 V91 L92 | I84-I88 HydrophobicContact CG2-CD1 3.74Å; I84-I88 HydrophobicContact CG2-CG1 4.4Å; I84-I88 VanDerWaalsContact O-CG1 3.24Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 2.96Å; G85-I88 PolarHBondContact O-N 2.95Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-G90 PolarHBondContact O-N 3.2Å; I88-V91 PolarHBondContact O-N 3.4Å; I88-L92 VanDerWaalsContact O-CB 3.3Å; I88-L92 WeakPolarHBondContact O-CB 3.36Å; I88-L92 PolarHBondContact O-N 3.48Å |
| 89 | I | 89.9 | Confident | 83.2 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.3 | -45 | 177.2 | -88.5 | 83.5 | 0 | 0 | 0 | 110.7 | G85 I86 L92 Y93 | G85-I89 WeakPolarHBondContact O-CD1 3.29Å; G85-I89 PolarHBondContact O-N 3.35Å; I86-I89 PolarHBondContact O-N 2.94Å; I89-L92 PolarHBondContact O-N 3.02Å; I89-Y93 WeakPolarHBondContact O-CB 3.25Å; I89-Y93 PolarHBondContact O-N 3.3Å |
| 90 | G | 87 | Confident | 82.1 | Confident | 36 Ų | 36 | 97.3 Ų | 97.3 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | I86 T87 I88 F94 | I86-G90 PolarHBondContact O-N 2.87Å; T87-G90 PolarHBondContact O-N 3.32Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-G90 PolarHBondContact O-N 3.2Å; G90-F94 WeakPolarHBondContact O-CB 3.44Å; G90-F94 PolarHBondContact O-N 3.47Å |
| 91 | V | 84.4 | Confident | 80.6 | Confident | 71 Ų | 71 | 98.6 Ų | 98.6 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | T87 I88 F94 L95 | T87-V91 WeakPolarHBondContact O-CB 3.39Å; T87-V91 VanDerWaalsContact O-CG2 3.24Å; T87-V91 WeakPolarHBondContact O-CG2 3.33Å; T87-V91 PolarHBondContact O-N 2.94Å; I88-V91 PolarHBondContact O-N 3.4Å; V91-F94 PolarHBondContact O-N 2.93Å; V91-L95 VanDerWaalsContact O-CB 3.24Å; V91-L95 WeakPolarHBondContact O-CB 3.22Å; V91-L95 PolarHBondContact O-N 3.48Å |
| 92 | L | 85.8 | Confident | 79 | Confident | 97 Ų | 97 | 96.6 Ų | 96.6 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 179.7 | -178.3 | 63.6 | 0 | 0 | 0 | 112.1 | I88 I89 F94 L95 I96 | I88-L92 VanDerWaalsContact O-CB 3.3Å; I88-L92 WeakPolarHBondContact O-CB 3.36Å; I88-L92 PolarHBondContact O-N 3.48Å; I89-L92 PolarHBondContact O-N 3.02Å; L92-F94 VanDerWaalsContact C-N 3.31Å; L92-F94 PolarHBondContact O-N 2.92Å; L92-L95 WeakPolarHBondContact O-CB 3.3Å; L92-L95 PolarHBondContact O-N 2.9Å; L92-I96 HydrophobicContact CD1-CD1 4.39Å; L92-I96 HydrophobicContact CG-CD1 4.15Å; L92-I96 WeakPolarHBondContact O-CD1 3.39Å; L92-I96 VanDerWaalsContact O-CG1 3.29Å; L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 3.38Å |
| 93 | Y | 84.9 | Confident | 77.2 | Confident | 155 Ų | 155 | 99.7 Ų | 99.7 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 176.4 | 171.9 | -105.6 | 0 | 0 | 0 | 111.2 | I89 I96 R97 | I89-Y93 WeakPolarHBondContact O-CB 3.25Å; I89-Y93 PolarHBondContact O-N 3.3Å; Y93-I96 PolarHBondContact O-N 3.35Å; Y93-R97 WeakPolarHBondContact O-CB 3.34Å; Y93-R97 PolarHBondContact O-N 3.43Å |
| 94 | F | 76.9 | Confident | 75.7 | Confident | 105 Ų | 105 | 100.1 Ų | 100.1 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 178.4 | -166.8 | -81.4 | 0 | 0 | 0 | 111.7 | F7 G90 V91 L92 I96 R97 A98 | F7-F94 HydrophobicContact CB-CE1 4.42Å; F7-F94 AromaticContact CD2-CD1 3.41Å; F7-F94 HydrophobicContact CD2-CD1 3.41Å; F7-F94 VanDerWaalsContact CD2-CD1 3.41Å; F7-F94 AromaticContact CD2-CE1 3.24Å; F7-F94 HydrophobicContact CD2-CE1 3.24Å; F7-F94 HydrophobicContact CD2-CZ 4.44Å; F7-F94 AromaticContact CE2-CD1 3.24Å; F7-F94 HydrophobicContact CE2-CD1 3.24Å; F7-F94 AromaticContact CE2-CE1 3.64Å; F7-F94 HydrophobicContact CE2-CE1 3.64Å; F7-F94 HydrophobicContact CE2-CG 4.37Å; F7-F94 HydrophobicContact CG-CD1 4.47Å; F7-F94 HydrophobicContact CG-CE1 4.05Å; F7-F94 HydrophobicContact CZ-CD1 4.18Å; G90-F94 WeakPolarHBondContact O-CB 3.44Å; G90-F94 PolarHBondContact O-N 3.47Å; V91-F94 PolarHBondContact O-N 2.93Å; L92-F94 VanDerWaalsContact C-N 3.31Å; L92-F94 PolarHBondContact O-N 2.92Å; F94-I96 VanDerWaalsContact C-N 3.35Å; F94-I96 PolarHBondContact O-N 3.49Å; F94-R97 PolarHBondContact O-N 3.35Å; F94-A98 HydrophobicContact CD1-CB 4.26Å; F94-A98 HydrophobicContact CE1-CB 4.17Å; F94-A98 WeakPolarHBondContact O-CB 3.41Å; F94-A98 PolarHBondContact O-N 2.87Å |
| 95 | L | 79.3 | Confident | 74.1 | Confident | 73 Ų | 73 | 100.3 Ų | 100.3 | 38% | 0.382 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.8 | -168.8 | 67.1 | 0 | 0 | 0 | 110.6 | F7 V91 L92 A98 V99 | F7-L95 HydrophobicContact CE1-CD1 3.36Å; F7-L95 HydrophobicContact CZ-CB 4.15Å; F7-L95 HydrophobicContact CZ-CD1 3.26Å; F7-L95 HydrophobicContact CZ-CG 4.29Å; V91-L95 VanDerWaalsContact O-CB 3.24Å; V91-L95 WeakPolarHBondContact O-CB 3.22Å; V91-L95 PolarHBondContact O-N 3.48Å; L92-L95 WeakPolarHBondContact O-CB 3.3Å; L92-L95 PolarHBondContact O-N 2.9Å; L95-A98 PolarHBondContact O-N 3.45Å; L95-V99 WeakPolarHBondContact O-CB 3.37Å; L95-V99 WeakPolarHBondContact O-CG2 3.35Å; L95-V99 PolarHBondContact O-N 3.49Å |
| 96 | I | 77.8 | Confident | 72.4 | Confident | 95 Ų | 95 | 105.6 Ų | 105.6 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 174.9 | -63.7 | 161.6 | 0 | 0 | 0 | 111.2 | L92 Y93 F94 R100 | L92-I96 HydrophobicContact CD1-CD1 4.39Å; L92-I96 HydrophobicContact CG-CD1 4.15Å; L92-I96 WeakPolarHBondContact O-CD1 3.39Å; L92-I96 VanDerWaalsContact O-CG1 3.29Å; L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 3.38Å; Y93-I96 PolarHBondContact O-N 3.35Å; F94-I96 VanDerWaalsContact C-N 3.35Å; F94-I96 PolarHBondContact O-N 3.49Å; I96-R100 WeakPolarHBondContact O-CG 3.37Å; I96-R100 PolarHBondContact O-N 3.23Å |
| 97 | R | 74 | Confident | 71 | Confident | 150 Ų | 150 | 108.6 Ų | 108.6 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 176.7 | -177.4 | 65 | -179.7 | -163 | 2.1 | 111.7 | Y93 F94 R100 L101 | Y93-R97 WeakPolarHBondContact O-CB 3.34Å; Y93-R97 PolarHBondContact O-N 3.43Å; F94-R97 PolarHBondContact O-N 3.35Å; R97-R100 PolarHBondContact O-N 3.3Å; R97-L101 HydrophobicContact CG-CD1 3.98Å; R97-L101 WeakPolarHBondContact O-CD1 3.33Å; R97-L101 PolarHBondContact O-N 3.06Å |
| 98 | A | 64.2 | Low | 69.9 | Low | 18 Ų | 18 | 113.4 Ų | 113.4 | 15% | 0.149 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -68 | -38.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | F94 L95 R100 L101 K102 | F94-A98 HydrophobicContact CD1-CB 4.26Å; F94-A98 HydrophobicContact CE1-CB 4.17Å; F94-A98 WeakPolarHBondContact O-CB 3.41Å; F94-A98 PolarHBondContact O-N 2.87Å; L95-A98 PolarHBondContact O-N 3.45Å; A98-R100 VanDerWaalsContact C-N 3.31Å; A98-L101 PolarHBondContact O-N 3.15Å; A98-K102 PolarHBondContact O-N 3Å; A98-K102 VanDerWaalsContact O-N 3.16Å |
| 99 | V | 65.4 | Low | 68.5 | Low | 96 Ų | 96 | 116.3 Ų | 116.3 | 58% | 0.582 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67 | -34 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 111 | L95 K102 | L95-V99 WeakPolarHBondContact O-CB 3.37Å; L95-V99 WeakPolarHBondContact O-CG2 3.35Å; L95-V99 PolarHBondContact O-N 3.49Å; V99-K102 PolarHBondContact O-N 2.9Å |
| 100 | R | 62.3 | Low | 67.2 | Low | 185 Ų | 185 | 121.5 Ų | 121.5 | 70% | 0.698 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.6 | -31.2 | 173.5 | -74.8 | -81.4 | -177.6 | 107.3 | -1.3 | 113.3 | I96 R97 A98 K102 K103 | I96-R100 WeakPolarHBondContact O-CG 3.37Å; I96-R100 PolarHBondContact O-N 3.23Å; R97-R100 PolarHBondContact O-N 3.3Å; A98-R100 VanDerWaalsContact C-N 3.31Å; R100-K102 VanDerWaalsContact C-N 3.26Å; R100-K103 PolarHBondContact O-N 3.34Å |
| 101 | L | 55 | Low | 66.2 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.7 | -16.6 | 171.6 | -94.6 | 113.4 | 0 | 0 | 0 | 113.3 | R97 A98 K103 | R97-L101 HydrophobicContact CG-CD1 3.98Å; R97-L101 WeakPolarHBondContact O-CD1 3.33Å; R97-L101 PolarHBondContact O-N 3.06Å; A98-L101 PolarHBondContact O-N 3.15Å; L101-K103 PolarHBondContact O-N 2.82Å |
| 102 | K | 53.5 | Low | 64.8 | Low | 122 Ų | 122 | 126.9 Ų | 126.9 | 53% | 0.53 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | 31.1 | 170.1 | -163.3 | 167.8 | 162.9 | -169.4 | 0 | 112 | W4 A98 V99 R100 P104 | W4-K102 HydrophobicContact CZ2-CD 4.43Å; A98-K102 PolarHBondContact O-N 3Å; A98-K102 VanDerWaalsContact O-N 3.16Å; V99-K102 PolarHBondContact O-N 2.9Å; R100-K102 VanDerWaalsContact C-N 3.26Å; K102-P104 VanDerWaalsContact O-CD 3.27Å; K102-P104 WeakPolarHBondContact O-CD 3.19Å |
| 103 | K | 54.1 | Low | 63.6 | Low | 155 Ų | 155 | 130 Ų | 130 | 67% | 0.674 | 63% | 0.626 | S | S | * | * | trans | -98.5 | 94.1 | 153 | -67.4 | -173.5 | 179.9 | -171.6 | 0 | 106.1 | R100 L101 A105 | R100-K103 PolarHBondContact O-N 3.34Å; L101-K103 PolarHBondContact O-N 2.82Å; K103-A105 PolarHBondContact O-N 3.19Å | ||
| 104 | P | 56.3 | Low | 62.2 | Low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 61% | 0.614 | S | S | * | * | trans | -58.3 | 104.3 | 157.7 | 26.1 | -30.1 | 0 | 0 | 0 | 105.1 | K102 H106 | K102-P104 VanDerWaalsContact O-CD 3.27Å; K102-P104 WeakPolarHBondContact O-CD 3.19Å; P104-H106 VanDerWaalsContact C-N 3.27Å; P104-H106 PolarHBondContact O-N 3.33Å | ||
| 105 | A | 53.1 | Low | 61 | Low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | trans | -61.8 | 97.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | K103 R107 | K103-A105 PolarHBondContact O-N 3.19Å; A105-R107 PolarHBondContact O-N 3.2Å | ||
| 106 | H | 54.2 | Low | 59.8 | Low | 136 Ų | 136 | 131.3 Ų | 131.3 | 63% | 0.63 | 64% | 0.64 | S | S | * | * | trans | 58.1 | 56.9 | 149.6 | -158.2 | -98.4 | 0 | 0 | 0 | 116.1 | P104 | P104-H106 VanDerWaalsContact C-N 3.27Å; P104-H106 PolarHBondContact O-N 3.33Å | ||
| 107 | R | 59.2 | Low | 58.8 | Low | 173 Ų | 173 | 134.5 Ų | 134.5 | 65% | 0.653 | 66% | 0.658 | S | S | * | * | trans | -68.3 | 132.4 | 145.2 | -78.5 | -171.4 | 150.1 | -158 | -5.8 | 107 | A105 S114 | A105-R107 PolarHBondContact O-N 3.2Å; R107-S114 VanDerWaalsContact NH2-CB 3.33Å; R107-S114 PolarHBondContact NH2-O 3.27Å; R107-S114 PolarHBondContact NH2-OG 3.08Å | ||
| 108 | K | 62.9 | Low | 57.8 | Low | 179 Ų | 179 | 135.5 Ų | 135.5 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | trans | 93.4 | 76.1 | 173.8 | -48.2 | 166.8 | -173.7 | -168.5 | 0 | 115 | ||||
| 109 | K | 58.9 | Low | 57.1 | Low | 161 Ų | 161 | 138 Ų | 138 | 70% | 0.7 | 69% | 0.691 | S | S | * | * | S | Bend | -141.2 | -7 | 123.6 | -68.9 | -158 | 179.9 | -177.8 | 0 | 114.6 | |||
| 110 | Y | 62.9 | Low | 56.4 | Low | 222 Ų | 222 | 137.7 Ų | 137.7 | 87% | 0.871 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -142.8 | 25.9 | 171.8 | -57.4 | -77.4 | 0 | 0 | 0 | 113.3 | L112 | Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 2.79Å; Y110-L112 VanDerWaalsContact O-N 3.13Å |
| 111 | G | 64.6 | Low | 55.9 | Low | 49 Ų | 49 | 138.5 Ų | 138.5 | 51% | 0.505 | 70% | 0.701 | S | S | . | * | trans | -88.6 | 58.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | L113 | G111-L113 VanDerWaalsContact C-N 3.33Š| ||
| 112 | L | 56.4 | Low | 55.7 | Low | 171 Ų | 171 | 139.8 Ų | 139.8 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -85.1 | -6.8 | 165.8 | -90.2 | 159.6 | 0 | 0 | 0 | 112.7 | Y110 | Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 2.79Å; Y110-L112 VanDerWaalsContact O-N 3.13Å |
| 113 | L | 59.1 | Low | 55.7 | Low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -107.5 | 6.8 | -175.6 | -74.1 | 167.5 | 0 | 0 | 0 | 115 | G111 | G111-L113 VanDerWaalsContact C-N 3.33Š|
| 114 | S | 56.8 | Low | 55.3 | Low | 51 Ų | 51 | 138.6 Ų | 138.6 | 36% | 0.357 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.8 | 21.9 | -173.9 | 78.3 | 0 | 0 | 0 | 0 | 115.1 | R107 | R107-S114 VanDerWaalsContact NH2-CB 3.33Å; R107-S114 PolarHBondContact NH2-O 3.27Å; R107-S114 PolarHBondContact NH2-OG 3.08Å |
| 115 | N | 50.9 | Low | 54.9 | Low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 24.8 | 178.4 | -73.3 | -37.2 | 0 | 0 | 0 | 112.7 | ||
| 116 | Y | 54.7 | Low | 54.9 | Low | 180 Ų | 180 | 140.9 Ų | 140.9 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -95.9 | -16.6 | 178.6 | -153.5 | -94.8 | 0 | 0 | 0 | 114.1 | V120 | Y116-V120 HydrophobicContact CE1-CG2 4.34Š|
| 117 | D | 55.8 | Low | 55 | Low | 162 Ų | 162 | 139.3 Ų | 139.3 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -103.9 | -1.2 | -166.5 | -149.6 | 49.8 | 0 | 0 | 0 | 115 | ||
| 118 | D | 54.5 | Low | 54.6 | Low | 170 Ų | 170 | 139.3 Ų | 139.3 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -122.5 | 8.9 | -175.1 | -130.5 | 2.6 | 0 | 0 | 0 | 112.8 | ||
| 119 | S | 49 | Very low | 54.2 | Low | 71 Ų | 71 | 138.9 Ų | 138.9 | 50% | 0.497 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -133.2 | 7.3 | 176.2 | 73 | 0 | 0 | 0 | 0 | 114.7 | ||
| 120 | V | 50.1 | Low | 53.9 | Low | 90 Ų | 90 | 137.7 Ų | 137.7 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | trans | -109.8 | 47.8 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | Y116 | Y116-V120 HydrophobicContact CE1-CG2 4.34Š| ||
| 121 | E | 51.8 | Low | 53.5 | Low | 201 Ų | 201 | 134.3 Ų | 134.3 | 94% | 0.939 | 73% | 0.725 | S | S | * | * | trans | -97.3 | 25.7 | 142.8 | -65.6 | -167.6 | 165 | 0 | 0 | 109.2 | E123 | E121-E123 PolarHBondContact O-N 2.81Š| ||
| 122 | M | 51.6 | Low | 53.3 | Low | 140 Ų | 140 | 137.7 Ų | 137.7 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | trans | -77.2 | 110.9 | 166.7 | -80.6 | -146.5 | -80.7 | 0 | 0 | 108.4 | ||||
| 123 | E | 52.1 | Low | 53.5 | Low | 137 Ų | 137 | 137.4 Ų | 137.4 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | 69.4 | 72 | 120 | -161.7 | 172.2 | -160.9 | 0 | 0 | 113.4 | E121 V125 | E121-E123 PolarHBondContact O-N 2.81Å; E123-V125 HydrophobicContact CG-CB 3.53Å; E123-V125 HydrophobicContact CG-CG2 3.52Å; E123-V125 PolarHBondContact O-N 3.33Å | |||
| 124 | A | 45.4 | Very low | 52.9 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 96% | 0.959 | 73% | 0.731 | S | S | * | * | trans | -69.9 | 54.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 125 | V | 48 | Very low | 52.9 | Low | 79 Ų | 79 | 143.1 Ų | 143.1 | 48% | 0.479 | 74% | 0.744 | S | S | . | * | trans | -104.3 | 108.5 | 167.1 | -177.9 | 0 | 0 | 0 | 0 | 105.4 | E123 | E123-V125 HydrophobicContact CG-CB 3.53Å; E123-V125 HydrophobicContact CG-CG2 3.52Å; E123-V125 PolarHBondContact O-N 3.33Å | ||
| 126 | E | 54 | Low | 53.2 | Low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 54.5 | 97.7 | 141.8 | -56.2 | 169.1 | 173.1 | 0 | 0 | 116.8 | ||
| 127 | S | 56.4 | Low | 53.3 | Low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 164.5 | 80.7 | 134 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 128 | E | 49.7 | Very low | 53.3 | Low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -148 | 49.9 | 149.4 | 133.6 | -179.4 | 139.2 | 0 | 0 | 108 | D130 | E128-D130 PolarHBondContact O-N 2.75Š| ||
| 129 | E | 55 | Low | 53.2 | Low | 169 Ų | 169 | 140.2 Ų | 140.2 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 58.8 | 163.6 | 49.9 | -179.6 | 172.6 | 0 | 0 | 110.5 | ||
| 130 | D | 53 | Low | 53.2 | Low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | 24.7 | 172.5 | -133 | -1.5 | 0 | 0 | 0 | 117 | E128 | E128-D130 PolarHBondContact O-N 2.75Š|
| 131 | D | 55.4 | Low | 53.2 | Low | 151 Ų | 151 | 159 Ų | 159 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -108.2 | 30.8 | 173.3 | -97.6 | -10.3 | 0 | 0 | 0 | 113.4 | ||
| 132 | T | 60 | Low | 53.3 | Low | 120 Ų | 120 | 156.9 Ų | 156.9 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -124 | 27.8 | -176 | 63 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 133 | L | 60.4 | Low | 53.3 | Low | 165 Ų | 165 | 157.8 Ų | 157.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -107 | 75.3 | 167.7 | -73.6 | 175.3 | 0 | 0 | 0 | 113.3 | ||||
| 134 | Y | 45.6 | Very low | 53.4 | Low | 201 Ų | 201 | 158.9 Ų | 158.9 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -4.4 | 129.9 | 142.4 | -118.7 | -104.1 | 0 | 0 | 0 | 119 | ||||
| 135 | E | 57.4 | Low | 53.9 | Low | 133 Ų | 133 | 161.5 Ų | 161.5 | 62% | 0.621 | 80% | 0.796 | S | S | * | * | trans | 36.3 | 99.2 | 130.9 | -144.6 | -165.3 | 176.5 | 0 | 0 | 119.1 | R137 | E135-R137 IonicContact OE1-NE 3.83Š| ||
| 136 | A | 57 | Low | 54.3 | Low | 110 Ų | 110 | 166.6 Ų | 166.6 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -103.3 | 87.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 137 | R | 56.9 | Low | 54.3 | Low | 202 Ų | 202 | 165.9 Ų | 165.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -65.9 | 134.9 | 163.8 | -171.7 | -163.7 | -92.4 | -145.2 | -3.5 | 109.8 | E135 | E135-R137 IonicContact OE1-NE 3.83Š| ||
| 138 | S | 55.4 | Low | 54.1 | Low | 101 Ų | 101 | 170.4 Ų | 170.4 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | 73.6 | 119.5 | 155.9 | 75.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 139 | L | 53.5 | Low | 54.5 | Low | 168 Ų | 168 | 170.1 Ų | 170.1 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | -168.4 | 127.6 | 115.6 | -149.3 | 82.5 | 0 | 0 | 0 | 112 | |||||
| 140 | R | 49.2 | Very low | 54.4 | Low | 235 Ų | 235 | 170.2 Ų | 170.2 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -26 | 137.5 | 168.1 | -64.5 | 169.2 | 166 | -150.9 | -4.3 | 117.6 | ||||
| 141 | R | 49.2 | Very low | 54.5 | Low | 320 Ų | 320 | 173.3 Ų | 173.3 | 100% | 1.208 | 83% | 0.834 | S | S | * | * | -167 | 0 | 108.4 | -121.7 | -179.4 | -176.2 | 167.9 | 1.8 | 112 |
Retrieved 141 of 141 residues in 34.3 ms
(Link to these results)