| 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 | 63.2 | Low | 78.1 | Confident | 212 Ų | 212 | 120.5 Ų | 120.5 | 100% | 1.044 | 61% | 0.608 | S | S | * | * | 0 | -39.2 | 0 | -145.3 | -179 | -82.3 | 0 | 0 | 112.2 | V3 L4 R5 | M1-V3 PolarHBondContact O-N 3.22Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-R5 PolarHBondContact O-N 3.05Å | |||
| 2 | E | 74.6 | Confident | 78.1 | Confident | 128 Ų | 128 | 114.6 Ų | 114.6 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64 | -37.9 | -178.6 | -161 | 178.1 | 160.9 | 0 | 0 | 114.7 | L4 R5 R6 | E2-L4 PolarHBondContact O-N 3.07Å; E2-R5 PolarHBondContact O-N 2.97Å; E2-R6 PolarHBondContact O-N 3.49Å; E2-R6 IonicContact OE1-CZ 3.61Å; E2-R6 IonicContact OE1-NE 3.62Å; E2-R6 IonicContact OE1-NH2 2.8Å; E2-R6 PolarHBondContact OE1-NH2 3.16Å |
| 3 | V | 71.9 | Confident | 78.1 | Confident | 112 Ų | 112 | 115.1 Ų | 115.1 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.4 | -45.8 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | M1 R5 R6 S7 | M1-V3 PolarHBondContact O-N 3.22Å; V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.09Å; V3-R6 PolarHBondContact O-N 3.28Å; V3-S7 PolarHBondContact O-N 2.77Å; V3-S7 PolarHBondContact O-OG 3.25Å |
| 4 | L | 73 | Confident | 77.9 | Confident | 131 Ų | 131 | 111.6 Ų | 111.6 | 69% | 0.686 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -38 | 178.2 | -67.3 | 174.6 | 0 | 0 | 0 | 112 | M1 E2 S7 S8 | M1-L4 PolarHBondContact O-N 3.33Å; E2-L4 PolarHBondContact O-N 3.07Å; L4-S7 PolarHBondContact O-N 3.42Å; L4-S8 PolarHBondContact O-N 3Å; L4-S8 PolarHBondContact O-OG 3.16Å |
| 5 | R | 81.2 | Confident | 77.4 | Confident | 190 Ų | 190 | 111.9 Ų | 111.9 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.8 | -40.7 | 176 | -171.3 | 177.9 | 180 | 160 | 0.6 | 111.6 | M1 E2 V3 S8 V9 | M1-R5 PolarHBondContact O-N 3.05Å; E2-R5 PolarHBondContact O-N 2.97Å; V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.09Å; R5-S8 PolarHBondContact O-N 3.06Å; R5-S8 PolarHBondContact O-OG 2.84Å; R5-V9 VanDerWaalsContact O-CG2 3.24Å; R5-V9 WeakPolarHBondContact O-CG2 2.94Å; R5-V9 PolarHBondContact O-N 3.35Å |
| 6 | R | 79.2 | Confident | 76.9 | Confident | 172 Ų | 172 | 109.5 Ų | 109.5 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.4 | -42.3 | 174 | -70.5 | -175.5 | -171.1 | -173.8 | 4 | 111.2 | E2 V3 V9 F10 | E2-R6 PolarHBondContact O-N 3.49Å; E2-R6 IonicContact OE1-CZ 3.61Å; E2-R6 IonicContact OE1-NE 3.62Å; E2-R6 IonicContact OE1-NH2 2.8Å; E2-R6 PolarHBondContact OE1-NH2 3.16Å; V3-R6 PolarHBondContact O-N 3.28Å; R6-V9 PolarHBondContact O-N 3.22Å; R6-F10 VanDerWaalsContact O-CB 3.29Å; R6-F10 WeakPolarHBondContact O-CB 3.32Å; R6-F10 PolarHBondContact O-N 3.38Å |
| 7 | S | 81.7 | Confident | 75.9 | Confident | 68 Ų | 68 | 106.7 Ų | 106.7 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -40.4 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | V3 L4 A11 | V3-S7 PolarHBondContact O-N 2.77Å; V3-S7 PolarHBondContact O-OG 3.25Å; L4-S7 PolarHBondContact O-N 3.42Å; S7-A11 VanDerWaalsContact O-CB 3.31Å; S7-A11 WeakPolarHBondContact O-CB 3.27Å; S7-A11 PolarHBondContact O-N 3.39Å |
| 8 | S | 81.8 | Confident | 74.9 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 49% | 0.49 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.4 | -38.7 | 178.3 | 65 | 0 | 0 | 0 | 0 | 112.7 | L4 R5 A11 A12 | L4-S8 PolarHBondContact O-N 3Å; L4-S8 PolarHBondContact O-OG 3.16Å; R5-S8 PolarHBondContact O-N 3.06Å; R5-S8 PolarHBondContact O-OG 2.84Å; S8-A11 PolarHBondContact O-N 2.97Å; S8-A12 WeakPolarHBondContact O-CB 3.46Å; S8-A12 PolarHBondContact O-N 3.49Å |
| 9 | V | 84.3 | Confident | 74.2 | Confident | 70 Ų | 70 | 110.6 Ų | 110.6 | 42% | 0.424 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.9 | -46.5 | 175 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | R5 R6 A11 A12 E13 | R5-V9 VanDerWaalsContact O-CG2 3.24Å; R5-V9 WeakPolarHBondContact O-CG2 2.94Å; R5-V9 PolarHBondContact O-N 3.35Å; R6-V9 PolarHBondContact O-N 3.22Å; V9-A11 VanDerWaalsContact C-N 3.34Å; V9-A11 PolarHBondContact O-N 3.32Å; V9-A12 PolarHBondContact O-N 3.05Å; V9-A12 VanDerWaalsContact O-N 3.15Å; V9-E13 HydrophobicContact CG1-CG 4.49Å; V9-E13 WeakPolarHBondContact O-CG 3.47Å; V9-E13 PolarHBondContact O-N 3.33Å |
| 10 | F | 86.7 | Confident | 74.1 | Confident | 130 Ų | 130 | 114.3 Ų | 114.3 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -41.1 | 176.1 | -176.8 | -112.3 | 0 | 0 | 0 | 112.4 | R6 E13 I14 | R6-F10 VanDerWaalsContact O-CB 3.29Å; R6-F10 WeakPolarHBondContact O-CB 3.32Å; R6-F10 PolarHBondContact O-N 3.38Å; F10-E13 PolarHBondContact O-N 3.2Å; F10-I14 HydrophobicContact CD1-CD1 3.61Å; F10-I14 HydrophobicContact CD2-CD1 4.43Å; F10-I14 HydrophobicContact CE1-CD1 3.23Å; F10-I14 HydrophobicContact CE1-CG1 4.36Å; F10-I14 HydrophobicContact CE2-CD1 4.11Å; F10-I14 HydrophobicContact CE2-CG1 4.47Å; F10-I14 HydrophobicContact CG-CD1 4.21Å; F10-I14 HydrophobicContact CZ-CD1 3.51Å; F10-I14 HydrophobicContact CZ-CG1 4.29Å; F10-I14 WeakPolarHBondContact O-CB 3.41Å; F10-I14 VanDerWaalsContact O-CG1 3.3Å; F10-I14 WeakPolarHBondContact O-CG1 3.31Å; F10-I14 PolarHBondContact O-N 3.19Å |
| 11 | A | 81.5 | Confident | 74.1 | Confident | 43 Ų | 43 | 111.1 Ų | 111.1 | 36% | 0.355 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S7 S8 V9 I14 M15 | S7-A11 VanDerWaalsContact O-CB 3.31Å; S7-A11 WeakPolarHBondContact O-CB 3.27Å; S7-A11 PolarHBondContact O-N 3.39Å; S8-A11 PolarHBondContact O-N 2.97Å; V9-A11 VanDerWaalsContact C-N 3.34Å; V9-A11 PolarHBondContact O-N 3.32Å; A11-I14 PolarHBondContact O-N 3.1Å; A11-M15 WeakPolarHBondContact O-CB 3.01Å; A11-M15 WeakPolarHBondContact O-CG 3.37Å; A11-M15 PolarHBondContact O-N 3.12Å |
| 12 | A | 77.5 | Confident | 75.1 | Confident | 49 Ų | 49 | 102 Ų | 102 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S8 V9 I14 M15 D16 | S8-A12 WeakPolarHBondContact O-CB 3.46Å; S8-A12 PolarHBondContact O-N 3.49Å; V9-A12 PolarHBondContact O-N 3.05Å; V9-A12 VanDerWaalsContact O-N 3.15Å; A12-I14 VanDerWaalsContact C-N 3.35Å; A12-M15 PolarHBondContact O-N 2.83Å; A12-D16 WeakPolarHBondContact O-CB 3.45Å; A12-D16 PolarHBondContact O-N 3.45Å |
| 13 | E | 78.3 | Confident | 75.8 | Confident | 121 Ų | 121 | 99.2 Ų | 99.2 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 174.4 | -72.8 | 174 | 179 | 0 | 0 | 111.9 | V9 F10 A17 | V9-E13 HydrophobicContact CG1-CG 4.49Å; V9-E13 WeakPolarHBondContact O-CG 3.47Å; V9-E13 PolarHBondContact O-N 3.33Å; F10-E13 PolarHBondContact O-N 3.2Å; E13-A17 VanDerWaalsContact O-CB 3.29Å; E13-A17 WeakPolarHBondContact O-CB 3.34Å; E13-A17 PolarHBondContact O-N 3.23Å |
| 14 | I | 75.3 | Confident | 76.7 | Confident | 66 Ų | 66 | 96.6 Ų | 96.6 | 34% | 0.338 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 173.3 | -73.2 | 168.4 | 0 | 0 | 0 | 110.6 | F10 A11 A12 A17 F18 | F10-I14 HydrophobicContact CD1-CD1 3.61Å; F10-I14 HydrophobicContact CD2-CD1 4.43Å; F10-I14 HydrophobicContact CE1-CD1 3.23Å; F10-I14 HydrophobicContact CE1-CG1 4.36Å; F10-I14 HydrophobicContact CE2-CD1 4.11Å; F10-I14 HydrophobicContact CE2-CG1 4.47Å; F10-I14 HydrophobicContact CG-CD1 4.21Å; F10-I14 HydrophobicContact CZ-CD1 3.51Å; F10-I14 HydrophobicContact CZ-CG1 4.29Å; F10-I14 WeakPolarHBondContact O-CB 3.41Å; F10-I14 VanDerWaalsContact O-CG1 3.3Å; F10-I14 WeakPolarHBondContact O-CG1 3.31Å; F10-I14 PolarHBondContact O-N 3.19Å; A11-I14 PolarHBondContact O-N 3.1Å; A12-I14 VanDerWaalsContact C-N 3.35Å; I14-A17 WeakPolarHBondContact O-CB 3.16Å; I14-A17 PolarHBondContact O-N 3.16Å; I14-F18 HydrophobicContact CG2-CD2 3.59Å; I14-F18 HydrophobicContact CG2-CE2 3.47Å; I14-F18 VanDerWaalsContact CG2-CE2 3.47Å; I14-F18 WeakPolarHBondContact O-CD2 3.47Å; I14-F18 PolarHBondContact O-N 2.8Å |
| 15 | M | 71.1 | Confident | 77.6 | Confident | 117 Ų | 117 | 99 Ų | 99 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 178.5 | -75 | -171.1 | -62.6 | 0 | 0 | 112.1 | A11 A12 A17 F18 D19 | A11-M15 WeakPolarHBondContact O-CB 3.01Å; A11-M15 WeakPolarHBondContact O-CG 3.37Å; A11-M15 PolarHBondContact O-N 3.12Å; A12-M15 PolarHBondContact O-N 2.83Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 2.69Å; M15-F18 CarbonylContact O-C 3.58Å; M15-F18 WeakPolarHBondContact O-CA 3.27Å; M15-F18 WeakPolarHBondContact O-CB 3.34Å; M15-F18 PolarHBondContact O-N 2.91Å; M15-D19 PolarHBondContact O-N 2.75Å |
| 16 | D | 68.8 | Low | 78.1 | Confident | 73 Ų | 73 | 94.6 Ų | 94.6 | 39% | 0.39 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 175 | -173.9 | 28.2 | 0 | 0 | 0 | 111.2 | A12 F18 D19 R20 | A12-D16 WeakPolarHBondContact O-CB 3.45Å; A12-D16 PolarHBondContact O-N 3.45Å; D16-F18 PolarHBondContact O-N 2.96Å; D16-D19 PolarHBondContact O-N 2.95Å; D16-R20 WeakPolarHBondContact O-CB 3.34Å; D16-R20 WeakPolarHBondContact O-CG 3.42Å; D16-R20 PolarHBondContact O-N 3.45Å; D16-R20 IonicContact OD1-CZ 3.43Å; D16-R20 IonicContact OD1-NE 3.4Å; D16-R20 PolarHBondContact OD1-NE 3Å; D16-R20 IonicContact OD1-NH2 3.62Å; D16-R20 IonicContact OD2-CZ 2.65Å; D16-R20 VanDerWaalsContact OD2-CZ 3.3Å; D16-R20 IonicContact OD2-NE 2.74Å; D16-R20 PolarHBondContact OD2-NE 3.26Å; D16-R20 IonicContact OD2-NH2 3.59Å; D16-R20 PolarHBondContact OD2-NH2 3.02Å |
| 17 | A | 60.2 | Low | 78.9 | Confident | 62 Ų | 62 | 86.4 Ų | 86.4 | 51% | 0.512 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | E13 I14 M15 R20 S21 | E13-A17 VanDerWaalsContact O-CB 3.29Å; E13-A17 WeakPolarHBondContact O-CB 3.34Å; E13-A17 PolarHBondContact O-N 3.23Å; I14-A17 WeakPolarHBondContact O-CB 3.16Å; I14-A17 PolarHBondContact O-N 3.16Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 2.69Å; A17-R20 PolarHBondContact O-N 3.12Å; A17-S21 PolarHBondContact O-N 3.4Å |
| 18 | F | 57.7 | Low | 79.5 | Confident | 144 Ų | 144 | 84 Ų | 84 | 63% | 0.632 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.1 | -41.3 | 173 | -86.1 | -70.4 | 0 | 0 | 0 | 112.2 | I14 M15 D16 R20 S21 | I14-F18 HydrophobicContact CG2-CD2 3.59Å; I14-F18 HydrophobicContact CG2-CE2 3.47Å; I14-F18 VanDerWaalsContact CG2-CE2 3.47Å; I14-F18 WeakPolarHBondContact O-CD2 3.47Å; I14-F18 PolarHBondContact O-N 2.8Å; M15-F18 CarbonylContact O-C 3.58Å; M15-F18 WeakPolarHBondContact O-CA 3.27Å; M15-F18 WeakPolarHBondContact O-CB 3.34Å; M15-F18 PolarHBondContact O-N 2.91Å; D16-F18 PolarHBondContact O-N 2.96Å; F18-R20 PolarHBondContact O-N 3.4Å; F18-S21 VanDerWaalsContact O-CB 3.26Å; F18-S21 WeakPolarHBondContact O-CB 3.14Å; F18-S21 PolarHBondContact O-N 3.46Å; F18-S21 PolarHBondContact O-OG 2.79Å |
| 19 | D | 61.7 | Low | 80.1 | Confident | 143 Ų | 143 | 83.5 Ų | 83.5 | 77% | 0.765 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.8 | -27.9 | 175.7 | -81.6 | -18.1 | 0 | 0 | 0 | 112 | M15 D16 S21 | M15-D19 PolarHBondContact O-N 2.75Å; D16-D19 PolarHBondContact O-N 2.95Å; D19-S21 VanDerWaalsContact C-N 3.31Å |
| 20 | R | 71.5 | Confident | 80.6 | Confident | 185 Ų | 185 | 82.6 Ų | 82.6 | 70% | 0.698 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -3.6 | 173.2 | -68.9 | 174 | -165.5 | -165.2 | 4.4 | 114.4 | D16 A17 F18 | D16-R20 WeakPolarHBondContact O-CB 3.34Å; D16-R20 WeakPolarHBondContact O-CG 3.42Å; D16-R20 PolarHBondContact O-N 3.45Å; D16-R20 IonicContact OD1-CZ 3.43Å; D16-R20 IonicContact OD1-NE 3.4Å; D16-R20 PolarHBondContact OD1-NE 3Å; D16-R20 IonicContact OD1-NH2 3.62Å; D16-R20 IonicContact OD2-CZ 2.65Å; D16-R20 VanDerWaalsContact OD2-CZ 3.3Å; D16-R20 IonicContact OD2-NE 2.74Å; D16-R20 PolarHBondContact OD2-NE 3.26Å; D16-R20 IonicContact OD2-NH2 3.59Å; D16-R20 PolarHBondContact OD2-NH2 3.02Å; A17-R20 PolarHBondContact O-N 3.12Å; F18-R20 PolarHBondContact O-N 3.4Å |
| 21 | S | 75.6 | Confident | 81 | Confident | 47 Ų | 47 | 76.4 Ų | 76.4 | 33% | 0.329 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -68.4 | 135.4 | 176.9 | 70.6 | 0 | 0 | 0 | 0 | 110.1 | A17 F18 D19 T23 | A17-S21 PolarHBondContact O-N 3.4Å; F18-S21 VanDerWaalsContact O-CB 3.26Å; F18-S21 WeakPolarHBondContact O-CB 3.14Å; F18-S21 PolarHBondContact O-N 3.46Å; F18-S21 PolarHBondContact O-OG 2.79Å; D19-S21 VanDerWaalsContact C-N 3.31Å; S21-T23 PolarHBondContact O-N 2.79Å |
| 22 | P | 83.2 | Confident | 81.7 | Confident | 22 Ų | 22 | 77 Ų | 77 | 14% | 0.143 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 130.5 | -175.6 | 25.6 | -34.2 | 0 | 0 | 0 | 110.1 | E26 L27 | P22-E26 WeakPolarHBondContact CA-OE2 3.44Å; P22-L27 HydrophobicContact CB-CD2 3.81Å; P22-L27 HydrophobicContact CB-CG 4.01Å; P22-L27 HydrophobicContact CG-CD1 4.48Å; P22-L27 HydrophobicContact CG-CD2 3.73Å; P22-L27 HydrophobicContact CG-CG 4.18Å |
| 23 | T | 89.3 | Confident | 82.5 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -68 | 157.3 | -179.6 | 67.8 | 0 | 0 | 0 | 0 | 110.8 | S21 K25 E26 L27 | S21-T23 PolarHBondContact O-N 2.79Å; T23-K25 PolarHBondContact O-N 2.87Å; T23-E26 PolarHBondContact N-OE2 2.95Å; T23-E26 WeakPolarHBondContact O-CB 3.38Å; T23-E26 PolarHBondContact O-N 2.83Å; T23-E26 VanDerWaalsContact OG1-CG 3.27Å; T23-E26 WeakPolarHBondContact OG1-CG 3.25Å; T23-E26 PolarHBondContact OG1-N 3.43Å; T23-E26 PolarHBondContact OG1-OE2 3.29Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 2.99Å |
| 24 | D | 91 | Very high | 83.3 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.3 | -34.5 | 176 | -74.2 | -16.9 | 0 | 0 | 0 | 111.6 | V28 A162 R166 | D24-V28 WeakPolarHBondContact O-CB 3.16Å; D24-V28 WeakPolarHBondContact O-CG2 3.41Å; D24-V28 PolarHBondContact O-N 3.09Å; D24-A162 HydrophobicContact CB-CB 4.46Å; D24-R166 WeakPolarHBondContact OD1-CD 3.38Å; D24-R166 IonicContact OD1-CZ 3.42Å; D24-R166 VanDerWaalsContact OD1-CZ 3.28Å; D24-R166 IonicContact OD1-NE 3.65Å; D24-R166 PolarHBondContact OD1-NE 3.26Å; D24-R166 IonicContact OD1-NH2 2.7Å; D24-R166 PolarHBondContact OD1-NH2 3.34Å; D24-R166 IonicContact OD2-CZ 3.86Å; D24-R166 IonicContact OD2-NE 3.3Å; D24-R166 IonicContact OD2-NH2 3.22Å; D24-R166 PolarHBondContact OD2-NH2 3.28Å |
| 25 | K | 92.1 | Very high | 84.2 | Confident | 182 Ų | 182 | 66.8 Ų | 66.8 | 79% | 0.791 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 175.4 | -68.3 | -175.3 | -175.3 | 180 | 0 | 111.8 | T23 V28 A29 | T23-K25 PolarHBondContact O-N 2.87Å; K25-V28 PolarHBondContact O-N 3.23Å; K25-A29 WeakPolarHBondContact O-CB 3.28Å; K25-A29 PolarHBondContact O-N 3.07Å |
| 26 | E | 92.2 | Very high | 85.3 | Confident | 96 Ų | 96 | 64 Ų | 64 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 176.3 | -73.6 | 164.5 | 174 | 0 | 0 | 111.3 | P22 T23 V28 A29 Q30 | P22-E26 WeakPolarHBondContact CA-OE2 3.44Å; T23-E26 PolarHBondContact N-OE2 2.95Å; T23-E26 WeakPolarHBondContact O-CB 3.38Å; T23-E26 PolarHBondContact O-N 2.83Å; T23-E26 VanDerWaalsContact OG1-CG 3.27Å; T23-E26 WeakPolarHBondContact OG1-CG 3.25Å; T23-E26 PolarHBondContact OG1-N 3.43Å; T23-E26 PolarHBondContact OG1-OE2 3.29Å; E26-V28 VanDerWaalsContact C-N 3.28Å; E26-V28 PolarHBondContact O-N 3.22Å; E26-A29 PolarHBondContact O-N 2.85Å; E26-Q30 WeakPolarHBondContact O-CB 3.43Å; E26-Q30 WeakPolarHBondContact O-CG 3.27Å; E26-Q30 PolarHBondContact O-N 3.07Å |
| 27 | L | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 178.6 | -70.7 | 177 | 0 | 0 | 0 | 112.3 | P22 T23 A31 L165 R166 W171 | P22-L27 HydrophobicContact CB-CD2 3.81Å; P22-L27 HydrophobicContact CB-CG 4.01Å; P22-L27 HydrophobicContact CG-CD1 4.48Å; P22-L27 HydrophobicContact CG-CD2 3.73Å; P22-L27 HydrophobicContact CG-CG 4.18Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 2.99Å; L27-A31 VanDerWaalsContact O-CB 3.29Å; L27-A31 WeakPolarHBondContact O-CB 3.39Å; L27-A31 PolarHBondContact O-N 3.39Å; L27-L165 HydrophobicContact CD1-CB 3.87Å; L27-L165 HydrophobicContact CD2-CB 4.34Å; L27-R166 HydrophobicContact CD1-CB 4.4Å; L27-R166 HydrophobicContact CD1-CG 3.42Å; L27-R166 VanDerWaalsContact CD1-CG 3.42Å; L27-W171 PolarHBondContact O-NE1 3.39Å |
| 28 | V | 96 | Very high | 88 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.1 | -41.2 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | D24 K25 E26 Q30 A31 K32 V157 R158 | D24-V28 WeakPolarHBondContact O-CB 3.16Å; D24-V28 WeakPolarHBondContact O-CG2 3.41Å; D24-V28 PolarHBondContact O-N 3.09Å; K25-V28 PolarHBondContact O-N 3.23Å; E26-V28 VanDerWaalsContact C-N 3.28Å; E26-V28 PolarHBondContact O-N 3.22Å; V28-Q30 VanDerWaalsContact C-N 3.34Å; V28-Q30 PolarHBondContact O-N 3.35Å; V28-A31 WeakPolarHBondContact O-CB 3.31Å; V28-A31 PolarHBondContact O-N 3.31Å; V28-K32 WeakPolarHBondContact O-CG 3.18Å; V28-K32 PolarHBondContact O-N 3.11Å; V28-V157 HydrophobicContact CG2-CG1 4.39Å; V28-R158 HydrophobicContact CG2-CB 3.53Å; V28-R158 HydrophobicContact CG2-CG 3.9Å |
| 29 | A | 93.3 | Very high | 89.8 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 49% | 0.488 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K25 E26 A31 K32 A33 | K25-A29 WeakPolarHBondContact O-CB 3.28Å; K25-A29 PolarHBondContact O-N 3.07Å; E26-A29 PolarHBondContact O-N 2.85Å; A29-A31 VanDerWaalsContact C-N 3.35Å; A29-K32 PolarHBondContact O-N 3.2Å; A29-A33 WeakPolarHBondContact O-CB 3.15Å; A29-A33 PolarHBondContact O-N 3.06Å |
| 30 | Q | 94.5 | Very high | 91.3 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 173.9 | -68.7 | 176.9 | -1.7 | 0 | 0 | 111.2 | E26 V28 K32 A33 L34 L63 W171 | E26-Q30 WeakPolarHBondContact O-CB 3.43Å; E26-Q30 WeakPolarHBondContact O-CG 3.27Å; E26-Q30 PolarHBondContact O-N 3.07Å; V28-Q30 VanDerWaalsContact C-N 3.34Å; V28-Q30 PolarHBondContact O-N 3.35Å; Q30-K32 PolarHBondContact O-N 3.43Å; Q30-A33 PolarHBondContact O-N 3.44Å; Q30-L34 WeakPolarHBondContact O-CB 3.43Å; Q30-L34 VanDerWaalsContact O-CG 3.26Å; Q30-L34 WeakPolarHBondContact O-CG 3.42Å; Q30-L34 PolarHBondContact O-N 2.96Å; Q30-L63 HydrophobicContact CB-CD1 4.32Å; Q30-L63 HydrophobicContact CB-CD2 4.19Å; Q30-L63 HydrophobicContact CG-CD1 3.69Å; Q30-L63 HydrophobicContact CG-CD2 4.17Å; Q30-W171 HydrophobicContact CB-CG 4.48Å |
| 31 | A | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L27 V28 A29 G35 Y127 V157 W171 | L27-A31 VanDerWaalsContact O-CB 3.29Å; L27-A31 WeakPolarHBondContact O-CB 3.39Å; L27-A31 PolarHBondContact O-N 3.39Å; V28-A31 WeakPolarHBondContact O-CB 3.31Å; V28-A31 PolarHBondContact O-N 3.31Å; A29-A31 VanDerWaalsContact C-N 3.35Å; A31-G35 PolarHBondContact O-N 2.86Å; A31-Y127 WeakPolarHBondContact CA-OH 3.39Å; A31-Y127 PolarHBondContact O-OH 3.35Å; A31-Y127 VanDerWaalsContact O-OH 3.06Å; A31-V157 HydrophobicContact CB-CB 4.07Å; A31-V157 HydrophobicContact CB-CG1 3.84Å; A31-V157 HydrophobicContact CB-CG2 3.9Å; A31-W171 HydrophobicContact CB-CH2 4.35Å; A31-W171 HydrophobicContact CB-CZ2 3.49Å; A31-W171 VanDerWaalsContact CB-CZ2 3.49Å |
| 32 | K | 95.7 | Very high | 93.1 | Very high | 54 Ų | 54 | 42 Ų | 42 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.4 | -69 | -172.6 | 178.8 | -160.3 | 0 | 111.4 | V28 A29 Q30 G35 R36 V150 D151 | V28-K32 WeakPolarHBondContact O-CG 3.18Å; V28-K32 PolarHBondContact O-N 3.11Å; A29-K32 PolarHBondContact O-N 3.2Å; Q30-K32 PolarHBondContact O-N 3.43Å; K32-G35 PolarHBondContact O-N 3.49Å; K32-R36 WeakPolarHBondContact O-CG 3.39Å; K32-R36 PolarHBondContact O-N 3.45Å; K32-V150 HydrophobicContact CB-CG1 4.18Å; K32-V150 HydrophobicContact CG-CG1 4.45Å; K32-D151 WeakPolarHBondContact CE-OD1 3.41Å; K32-D151 IonicContact NZ-OD1 3.28Å; K32-D151 PolarHBondContact NZ-OD1 3.35Å |
| 33 | A | 93.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 41 Ų | 41 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -50.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A29 Q30 G35 R36 E37 V59 | A29-A33 WeakPolarHBondContact O-CB 3.15Å; A29-A33 PolarHBondContact O-N 3.06Å; Q30-A33 PolarHBondContact O-N 3.44Å; A33-G35 PolarHBondContact O-N 3.39Å; A33-R36 PolarHBondContact O-N 2.84Å; A33-E37 PolarHBondContact O-N 3.25Å; A33-E37 VanDerWaalsContact O-N 3.1Å; A33-V59 HydrophobicContact CB-CG2 4.33Å |
| 34 | L | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.8 | -39.3 | 173.8 | -69.2 | 171.2 | 0 | 0 | 0 | 111.5 | Q30 E37 Y38 L63 V66 C67 L70 Y127 W171 | Q30-L34 WeakPolarHBondContact O-CB 3.43Å; Q30-L34 VanDerWaalsContact O-CG 3.26Å; Q30-L34 WeakPolarHBondContact O-CG 3.42Å; Q30-L34 PolarHBondContact O-N 2.96Å; L34-E37 PolarHBondContact O-N 3.34Å; L34-Y38 WeakPolarHBondContact O-CB 3.34Å; L34-Y38 PolarHBondContact O-N 3.07Å; L34-L63 HydrophobicContact CD1-CD2 4.26Å; L34-L63 HydrophobicContact CD2-CD2 4.47Å; L34-L63 WeakPolarHBondContact CD2-O 3.29Å; L34-L63 HydrophobicContact CG-CD2 4.49Å; L34-V66 HydrophobicContact CD1-CG1 3.69Å; L34-V66 HydrophobicContact CD2-CB 4.19Å; L34-V66 HydrophobicContact CD2-CG1 3.76Å; L34-V66 HydrophobicContact CG-CG1 4.4Å; L34-C67 HydrophobicContact CD2-CB 3.86Å; L34-L70 HydrophobicContact CB-CD1 4.4Å; L34-L70 HydrophobicContact CD1-CD1 4.21Å; L34-L70 HydrophobicContact CD2-CD1 4.44Å; L34-Y127 HydrophobicContact CB-CE1 3.87Å; L34-W171 HydrophobicContact CD1-CB 4.27Å; L34-W171 HydrophobicContact CD1-CD2 3.6Å; L34-W171 HydrophobicContact CD1-CE3 3.59Å; L34-W171 HydrophobicContact CD1-CG 3.92Å; L34-W171 HydrophobicContact CD1-CZ3 4.19Å |
| 35 | G | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A31 K32 A33 Y38 V39 | A31-G35 PolarHBondContact O-N 2.86Å; K32-G35 PolarHBondContact O-N 3.49Å; A33-G35 PolarHBondContact O-N 3.39Å; G35-Y38 PolarHBondContact O-N 3.18Å; G35-V39 WeakPolarHBondContact O-CB 3.4Å; G35-V39 WeakPolarHBondContact O-CG2 3.46Å; G35-V39 PolarHBondContact O-N 3.43Å |
| 36 | R | 94.1 | Very high | 93.7 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 22% | 0.219 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 177.1 | -67.7 | 179.5 | -174.6 | 108.9 | -0 | 111.7 | K32 A33 V39 H40 W50 V150 | K32-R36 WeakPolarHBondContact O-CG 3.39Å; K32-R36 PolarHBondContact O-N 3.45Å; A33-R36 PolarHBondContact O-N 2.84Å; R36-V39 PolarHBondContact O-N 3.48Å; R36-H40 VanDerWaalsContact O-CB 3.22Å; R36-H40 WeakPolarHBondContact O-CB 3.42Å; R36-H40 PolarHBondContact O-N 3.35Å; R36-W50 HydrophobicContact CG-CH2 4.32Å; R36-V150 HydrophobicContact CG-CG1 3.76Å; R36-V150 HydrophobicContact CG-CG2 4.18Å |
| 37 | E | 92.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 38 Ų | 38 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.6 | -44.9 | -180 | -69 | -57.9 | 147.9 | 0 | 0 | 111.9 | A33 L34 V39 H40 A41 V59 C67 | A33-E37 PolarHBondContact O-N 3.25Å; A33-E37 VanDerWaalsContact O-N 3.1Å; L34-E37 PolarHBondContact O-N 3.34Å; E37-V39 PolarHBondContact O-N 2.95Å; E37-H40 PolarHBondContact O-N 3.48Å; E37-A41 WeakPolarHBondContact O-CB 3.48Å; E37-A41 PolarHBondContact O-N 2.89Å; E37-V59 HydrophobicContact CG-CG2 4.1Å; E37-C67 VanDerWaalsContact CB-SG 3.52Å |
| 38 | Y | 94.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 178.7 | -168.8 | -73.3 | 0 | 0 | 0 | 111.3 | L34 G35 A41 R42 L70 L71 G74 Y127 A131 | L34-Y38 WeakPolarHBondContact O-CB 3.34Å; L34-Y38 PolarHBondContact O-N 3.07Å; G35-Y38 PolarHBondContact O-N 3.18Å; Y38-A41 PolarHBondContact O-N 3.05Å; Y38-R42 HydrophobicContact CD1-CG 3.98Å; Y38-R42 HydrophobicContact CE1-CG 3.73Å; Y38-R42 VanDerWaalsContact O-CG 3.31Å; Y38-R42 WeakPolarHBondContact O-CG 3.11Å; Y38-R42 PolarHBondContact O-N 3.43Å; Y38-L70 HydrophobicContact CD2-CB 3.95Å; Y38-L70 HydrophobicContact CE2-CB 4.03Å; Y38-L70 WeakPolarHBondContact CE2-O 3.21Å; Y38-L71 HydrophobicContact CD1-CD2 4.28Å; Y38-L71 HydrophobicContact CD2-CD2 3.72Å; Y38-L71 HydrophobicContact CD2-CG 3.89Å; Y38-L71 HydrophobicContact CE1-CD2 4.36Å; Y38-L71 HydrophobicContact CE2-CD2 3.83Å; Y38-L71 HydrophobicContact CE2-CG 4.12Å; Y38-L71 HydrophobicContact CG-CD2 3.96Å; Y38-L71 HydrophobicContact CG-CG 4.49Å; Y38-G74 WeakPolarHBondContact OH-CA 3.25Å; Y38-Y127 HydrophobicContact CD2-CD1 4.4Å; Y38-Y127 HydrophobicContact CG-CD1 4.26Å; Y38-A131 HydrophobicContact CD1-CB 3.69Å; Y38-A131 HydrophobicContact CE1-CB 3.72Å |
| 39 | V | 94.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | G35 R36 E37 A41 R42 L43 A131 A134 V146 | G35-V39 WeakPolarHBondContact O-CB 3.4Å; G35-V39 WeakPolarHBondContact O-CG2 3.46Å; G35-V39 PolarHBondContact O-N 3.43Å; R36-V39 PolarHBondContact O-N 3.48Å; E37-V39 PolarHBondContact O-N 2.95Å; V39-A41 PolarHBondContact O-N 3.38Å; V39-R42 PolarHBondContact O-N 3.31Å; V39-L43 HydrophobicContact CG1-CD1 3.71Å; V39-L43 HydrophobicContact CG1-CG 4.23Å; V39-L43 WeakPolarHBondContact O-CG 3.4Å; V39-L43 PolarHBondContact O-N 3.49Å; V39-A131 HydrophobicContact CG2-CB 4.07Å; V39-A134 HydrophobicContact CG1-CB 3.49Å; V39-A134 VanDerWaalsContact CG1-CB 3.49Å; V39-A134 HydrophobicContact CG2-CB 4.33Å; V39-V146 HydrophobicContact CG1-CG1 3.66Å |
| 40 | H | 92.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 178.3 | -175 | 68.5 | 0 | 0 | 0 | 111.6 | R36 E37 R42 L43 L44 W50 | R36-H40 VanDerWaalsContact O-CB 3.22Å; R36-H40 WeakPolarHBondContact O-CB 3.42Å; R36-H40 PolarHBondContact O-N 3.35Å; E37-H40 PolarHBondContact O-N 3.48Å; H40-R42 VanDerWaalsContact C-N 3.3Å; H40-R42 PolarHBondContact O-N 3.24Å; H40-L43 PolarHBondContact O-N 3.23Å; H40-L44 WeakPolarHBondContact O-CG 3.45Å; H40-L44 PolarHBondContact O-N 3.06Å; H40-W50 HydrophobicContact CB-CE3 4.41Å; H40-W50 PolarHBondContact ND1-O 3.38Å |
| 41 | A | 92.7 | Very high | 91.6 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E37 Y38 V39 R45 L71 | E37-A41 WeakPolarHBondContact O-CB 3.48Å; E37-A41 PolarHBondContact O-N 2.89Å; Y38-A41 PolarHBondContact O-N 3.05Å; V39-A41 PolarHBondContact O-N 3.38Å; A41-R45 VanDerWaalsContact O-CG 3.29Å; A41-R45 WeakPolarHBondContact O-CG 3.44Å; A41-R45 PolarHBondContact O-N 2.97Å; A41-R45 VanDerWaalsContact O-N 3.1Å; A41-L71 HydrophobicContact CB-CD1 3.75Å; A41-L71 HydrophobicContact CB-CD2 3.85Å; A41-L71 HydrophobicContact CB-CG 4.47Å |
| 42 | R | 92.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.2 | -36 | 177.2 | -69.1 | -71.1 | -74.1 | 110.2 | -11.3 | 112.6 | Y38 V39 H40 A46 L71 E78 A131 V135 | Y38-R42 HydrophobicContact CD1-CG 3.98Å; Y38-R42 HydrophobicContact CE1-CG 3.73Å; Y38-R42 VanDerWaalsContact O-CG 3.31Å; Y38-R42 WeakPolarHBondContact O-CG 3.11Å; Y38-R42 PolarHBondContact O-N 3.43Å; V39-R42 PolarHBondContact O-N 3.31Å; H40-R42 VanDerWaalsContact C-N 3.3Å; H40-R42 PolarHBondContact O-N 3.24Å; R42-A46 PolarHBondContact O-N 3.04Å; R42-A46 VanDerWaalsContact O-N 3.13Å; R42-L71 HydrophobicContact CG-CD2 4.4Å; R42-E78 IonicContact CZ-OE2 3.81Å; R42-E78 IonicContact NE-OE2 3.62Å; R42-E78 IonicContact NH2-OE1 2.8Å; R42-E78 IonicContact NH2-OE2 2.73Å; R42-E78 PolarHBondContact NH2-OE2 3.17Å; R42-A131 HydrophobicContact CB-CB 4.03Å; R42-A131 HydrophobicContact CG-CB 3.84Å; R42-V135 HydrophobicContact CB-CG2 4.45Å |
| 43 | L | 93.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 173.9 | -72.9 | 167.4 | 0 | 0 | 0 | 111.4 | V39 H40 R45 A46 G47 L48 W50 V135 V138 | V39-L43 HydrophobicContact CG1-CD1 3.71Å; V39-L43 HydrophobicContact CG1-CG 4.23Å; V39-L43 WeakPolarHBondContact O-CG 3.4Å; V39-L43 PolarHBondContact O-N 3.49Å; H40-L43 PolarHBondContact O-N 3.23Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.17Å; L43-A46 CarbonylContact O-C 3.48Å; L43-A46 WeakPolarHBondContact O-CA 3.34Å; L43-A46 WeakPolarHBondContact O-CB 3.37Å; L43-A46 PolarHBondContact O-N 2.91Å; L43-G47 PolarHBondContact O-N 3.46Å; L43-L48 CarbonylContact C-O 3.47Å; L43-L48 HydrophobicContact CB-CB 4.28Å; L43-L48 HydrophobicContact CD2-CB 4Å; L43-L48 HydrophobicContact CD2-CD1 3.86Å; L43-L48 PolarHBondContact O-N 3.17Å; L43-L48 VanDerWaalsContact O-O 3.13Å; L43-W50 HydrophobicContact CD1-CB 3.46Å; L43-W50 VanDerWaalsContact CD1-CB 3.46Å; L43-W50 HydrophobicContact CD1-CD2 4.28Å; L43-W50 HydrophobicContact CD1-CE3 4.2Å; L43-W50 HydrophobicContact CD1-CG 4.03Å; L43-V135 HydrophobicContact CD2-CB 4.35Å; L43-V135 HydrophobicContact CD2-CG2 3.82Å; L43-V135 HydrophobicContact CG-CG2 4.29Å; L43-V138 HydrophobicContact CD1-CG2 4.27Å; L43-V138 HydrophobicContact CD2-CB 3.87Å; L43-V138 HydrophobicContact CD2-CG1 4.21Å; L43-V138 HydrophobicContact CD2-CG2 3.75Å |
| 44 | L | 92.7 | Very high | 85.8 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 52% | 0.518 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.1 | -43.5 | 176 | -70.4 | 178.4 | 0 | 0 | 0 | 111.7 | H40 A46 G47 L48 | H40-L44 WeakPolarHBondContact O-CG 3.45Å; H40-L44 PolarHBondContact O-N 3.06Å; L44-A46 PolarHBondContact O-N 3.41Å; L44-G47 PolarHBondContact O-N 2.86Å; L44-L48 PolarHBondContact N-O 2.75Å |
| 45 | R | 91.3 | Very high | 83.7 | Confident | 138 Ų | 138 | 64 Ų | 64 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -25 | 175.2 | -74.5 | 172.9 | 61.2 | -177 | 0.6 | 113.9 | A41 L43 G47 D75 | A41-R45 VanDerWaalsContact O-CG 3.29Å; A41-R45 WeakPolarHBondContact O-CG 3.44Å; A41-R45 PolarHBondContact O-N 2.97Å; A41-R45 VanDerWaalsContact O-N 3.1Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.17Å; R45-G47 VanDerWaalsContact C-N 3.28Å; R45-D75 IonicContact CZ-OD1 3.95Å; R45-D75 IonicContact CZ-OD2 2.65Å; R45-D75 IonicContact NH1-OD1 3.14Å; R45-D75 PolarHBondContact NH1-OD1 3.42Å; R45-D75 IonicContact NH1-OD2 3.55Å; R45-D75 PolarHBondContact NH1-OD2 2.95Å; R45-D75 IonicContact NH2-OD1 3.57Å; R45-D75 PolarHBondContact NH2-OD1 3.36Å; R45-D75 IonicContact NH2-OD2 3.5Å; R45-D75 PolarHBondContact NH2-OD2 3.21Å |
| 46 | A | 90.7 | Very high | 81.7 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 2.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | R42 L43 L44 L48 V135 | R42-A46 PolarHBondContact O-N 3.04Å; R42-A46 VanDerWaalsContact O-N 3.13Å; L43-A46 CarbonylContact O-C 3.48Å; L43-A46 WeakPolarHBondContact O-CA 3.34Å; L43-A46 WeakPolarHBondContact O-CB 3.37Å; L43-A46 PolarHBondContact O-N 2.91Å; L44-A46 PolarHBondContact O-N 3.41Å; A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 HydrophobicContact CB-CD1 3.98Å; A46-L48 HydrophobicContact CB-CG 4.12Å; A46-V135 HydrophobicContact CB-CG1 4.2Å |
| 47 | G | 92.9 | Very high | 79.9 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 73% | 0.732 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 18.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L43 L44 R45 | L43-G47 PolarHBondContact O-N 3.46Å; L44-G47 PolarHBondContact O-N 2.86Å; R45-G47 VanDerWaalsContact C-N 3.28Å |
| 48 | L | 92.2 | Very high | 78.2 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 20% | 0.199 | 41% | 0.41 | C | S | . | . | trans | -105.6 | 141 | -178.2 | -58.6 | 171.1 | 0 | 0 | 0 | 109.8 | L43 L44 A46 V135 V138 R139 | L43-L48 CarbonylContact C-O 3.47Å; L43-L48 HydrophobicContact CB-CB 4.28Å; L43-L48 HydrophobicContact CD2-CB 4Å; L43-L48 HydrophobicContact CD2-CD1 3.86Å; L43-L48 PolarHBondContact O-N 3.17Å; L43-L48 VanDerWaalsContact O-O 3.13Å; L44-L48 PolarHBondContact N-O 2.75Å; A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 HydrophobicContact CB-CD1 3.98Å; A46-L48 HydrophobicContact CB-CG 4.12Å; L48-V135 HydrophobicContact CD1-CG1 4.02Å; L48-V138 HydrophobicContact CB-CG1 4.11Å; L48-V138 HydrophobicContact CD1-CB 4.34Å; L48-V138 HydrophobicContact CD1-CG1 4.11Å; L48-V138 HydrophobicContact CD2-CG1 4.4Å; L48-V138 HydrophobicContact CG-CG1 4.44Å; L48-R139 HydrophobicContact CD1-CG 3.78Å; L48-R139 HydrophobicContact CD2-CG 4.37Å | ||
| 49 | S | 86.7 | Confident | 76.7 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 75% | 0.748 | 42% | 0.418 | S | S | * | . | trans | -100.8 | 136.2 | 170.3 | 58.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 50 | W | 82.3 | Confident | 75.6 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 5% | 0.049 | 44% | 0.442 | C | S | . | . | trans | -132.7 | 112.6 | 165 | 171.3 | 64.6 | 0 | 0 | 0 | 106.7 | R36 H40 L43 A52 V146 H147 | R36-W50 HydrophobicContact CG-CH2 4.32Å; H40-W50 HydrophobicContact CB-CE3 4.41Å; H40-W50 PolarHBondContact ND1-O 3.38Å; L43-W50 HydrophobicContact CD1-CB 3.46Å; L43-W50 VanDerWaalsContact CD1-CB 3.46Å; L43-W50 HydrophobicContact CD1-CD2 4.28Å; L43-W50 HydrophobicContact CD1-CE3 4.2Å; L43-W50 HydrophobicContact CD1-CG 4.03Å; W50-A52 HydrophobicContact CE3-CB 4.16Å; W50-A52 HydrophobicContact CH2-CB 4.01Å; W50-A52 HydrophobicContact CZ2-CB 4.44Å; W50-A52 HydrophobicContact CZ3-CB 3.85Å; W50-A52 PolarHBondContact O-N 2.95Å; W50-V146 HydrophobicContact CD2-CB 4.44Å; W50-V146 HydrophobicContact CD2-CG1 3.89Å; W50-V146 HydrophobicContact CE3-CG1 4.1Å; W50-V146 HydrophobicContact CH2-CG1 3.7Å; W50-V146 HydrophobicContact CZ2-CB 3.97Å; W50-V146 HydrophobicContact CZ2-CG1 3.43Å; W50-V146 VanDerWaalsContact CZ2-CG1 3.43Å; W50-V146 HydrophobicContact CZ3-CG1 4.03Å; W50-H147 AromaticContact CE2-NE2 3.93Å; W50-H147 AromaticContact CZ2-CE1 3.44Å; W50-H147 VanDerWaalsContact CZ2-CE1 3.44Å; W50-H147 WeakPolarHBondContact CZ2-CE1 2.95Å; W50-H147 AromaticContact CZ2-ND1 3.92Å; W50-H147 AromaticContact CZ2-NE2 3.57Å; W50-H147 AromaticContact NE1-NE2 3.7Å | ||
| 51 | S | 72.1 | Confident | 74.9 | Confident | 105 Ų | 105 | 74.8 Ų | 74.8 | 73% | 0.734 | 46% | 0.459 | S | S | * | . | trans | -67.5 | 102.6 | 167.2 | 49.8 | 0 | 0 | 0 | 0 | 106.3 | P53 | S51-P53 WeakPolarHBondContact O-CD 3.45Å; S51-P53 VanDerWaalsContact O-N 3.14Å | ||
| 52 | A | 58.9 | Low | 74.5 | Confident | 31 Ų | 31 | 82.2 Ų | 82.2 | 26% | 0.256 | 48% | 0.482 | S | S | . | . | trans | -64.2 | 108.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | W50 E54 | W50-A52 HydrophobicContact CE3-CB 4.16Å; W50-A52 HydrophobicContact CH2-CB 4.01Å; W50-A52 HydrophobicContact CZ2-CB 4.44Å; W50-A52 HydrophobicContact CZ3-CB 3.85Å; W50-A52 PolarHBondContact O-N 2.95Å; A52-E54 PolarHBondContact O-N 3.33Å | ||
| 53 | P | 53.3 | Low | 74.2 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -56.5 | -23.1 | -179.5 | 19.8 | -34.8 | 0 | 0 | 0 | 113.1 | S51 H147 | S51-P53 WeakPolarHBondContact O-CD 3.45Å; S51-P53 VanDerWaalsContact O-N 3.14Å; P53-H147 WeakPolarHBondContact CD-CE1 3.38Å; P53-H147 VanDerWaalsContact CD-NE2 3.27Å; P53-H147 WeakPolarHBondContact CD-NE2 3.44Å; P53-H147 WeakPolarHBondContact CG-CE1 3.46Å; P53-H147 WeakPolarHBondContact CG-NE2 3.49Å |
| 54 | E | 52.4 | Low | 74 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | trans | -122.9 | 94.8 | 176.5 | -153.2 | 83.2 | -153.4 | 0 | 0 | 108.2 | A52 A56 | A52-E54 PolarHBondContact O-N 3.33Å; E54-A56 PolarHBondContact O-N 3.02Å | ||
| 55 | R | 50.8 | Low | 73.9 | Confident | 223 Ų | 223 | 84.6 Ų | 84.6 | 84% | 0.842 | 50% | 0.501 | S | S | * | . | trans | -65.2 | 79.9 | 149.4 | -86.5 | -177.2 | 177.5 | 157 | 0.3 | 105.5 | A57 | R55-A57 PolarHBondContact O-N 2.9Š| ||
| 56 | A | 52.3 | Low | 74 | Confident | 45 Ų | 45 | 78 Ų | 78 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | trans | -48.1 | 138.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | E54 | E54-A56 PolarHBondContact O-N 3.02Š| ||
| 57 | A | 57.1 | Low | 74.1 | Confident | 81 Ų | 81 | 77 Ų | 77 | 67% | 0.669 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -32.1 | 140.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | R55 V59 | R55-A57 PolarHBondContact O-N 2.9Å; A57-V59 PolarHBondContact O-N 2.73Å |
| 58 | P | 56.2 | Low | 74.1 | Confident | 127 Ų | 127 | 76.4 Ų | 76.4 | 83% | 0.825 | 46% | 0.455 | S | S | * | . | trans | -43.1 | 120.3 | -175.5 | 16.7 | -30.8 | 0 | 0 | 0 | 110 | ||||
| 59 | V | 63.4 | Low | 74.2 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | trans | -50.9 | 125.2 | -177.8 | 172 | 0 | 0 | 0 | 0 | 107.7 | A33 E37 A57 G61 L63 | A33-V59 HydrophobicContact CB-CG2 4.33Å; E37-V59 HydrophobicContact CG-CG2 4.1Å; A57-V59 PolarHBondContact O-N 2.73Å; V59-G61 PolarHBondContact O-N 2.65Å; V59-L63 HydrophobicContact CG1-CB 3.06Å; V59-L63 HydrophobicContact CG1-CD1 4.17Å; V59-L63 HydrophobicContact CG1-CG 4.25Å | ||
| 60 | P | 72.1 | Confident | 74.7 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | trans | -45.2 | 141.4 | 178.8 | -29.6 | 29.2 | 0 | 0 | 0 | 111.4 | R62 L63 A64 | P60-R62 PolarHBondContact O-N 2.79Å; P60-L63 HydrophobicContact CB-CD1 4.43Å; P60-L63 HydrophobicContact CG-CD1 4.08Å; P60-L63 WeakPolarHBondContact O-CA 3.4Å; P60-L63 WeakPolarHBondContact O-CB 3.18Å; P60-L63 PolarHBondContact O-N 2.95Å; P60-A64 PolarHBondContact O-N 3.36Å | ||
| 61 | G | 78.1 | Confident | 75.3 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -48 | -38.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | V59 L63 A64 E65 | V59-G61 PolarHBondContact O-N 2.65Å; G61-L63 PolarHBondContact O-N 3.3Å; G61-A64 WeakPolarHBondContact O-CB 3.23Å; G61-A64 PolarHBondContact O-N 2.91Å; G61-E65 PolarHBondContact O-N 3.1Å |
| 62 | R | 82.7 | Confident | 76.3 | Confident | 181 Ų | 181 | 72.6 Ų | 72.6 | 68% | 0.683 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.6 | -35.1 | 175.4 | -72 | -171.9 | 168.7 | -174 | -2.9 | 114.4 | P60 E65 V66 T172 | P60-R62 PolarHBondContact O-N 2.79Å; R62-E65 PolarHBondContact O-N 3.33Å; R62-V66 WeakPolarHBondContact O-CG2 3.49Å; R62-V66 PolarHBondContact O-N 3.37Å; R62-V66 VanDerWaalsContact O-N 3.07Å; R62-T172 HydrophobicContact CB-CG2 4.17Å |
| 63 | L | 87 | Confident | 78 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -76.4 | -25.8 | 177 | -73.6 | 170 | 0 | 0 | 0 | 111.7 | Q30 L34 V59 P60 G61 V66 C67 W171 | Q30-L63 HydrophobicContact CB-CD1 4.32Å; Q30-L63 HydrophobicContact CB-CD2 4.19Å; Q30-L63 HydrophobicContact CG-CD1 3.69Å; Q30-L63 HydrophobicContact CG-CD2 4.17Å; L34-L63 HydrophobicContact CD1-CD2 4.26Å; L34-L63 HydrophobicContact CD2-CD2 4.47Å; L34-L63 WeakPolarHBondContact CD2-O 3.29Å; L34-L63 HydrophobicContact CG-CD2 4.49Å; V59-L63 HydrophobicContact CG1-CB 3.06Å; V59-L63 HydrophobicContact CG1-CD1 4.17Å; V59-L63 HydrophobicContact CG1-CG 4.25Å; P60-L63 HydrophobicContact CB-CD1 4.43Å; P60-L63 HydrophobicContact CG-CD1 4.08Å; P60-L63 WeakPolarHBondContact O-CA 3.4Å; P60-L63 WeakPolarHBondContact O-CB 3.18Å; P60-L63 PolarHBondContact O-N 2.95Å; G61-L63 PolarHBondContact O-N 3.3Å; L63-V66 WeakPolarHBondContact O-CB 3.05Å; L63-V66 PolarHBondContact O-N 2.89Å; L63-C67 WeakPolarHBondContact O-CB 3.34Å; L63-C67 PolarHBondContact O-N 3.47Å; L63-W171 HydrophobicContact CD2-CB 4.11Å |
| 64 | A | 88.2 | Confident | 79.9 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P60 G61 V66 C67 A68 | P60-A64 PolarHBondContact O-N 3.36Å; G61-A64 WeakPolarHBondContact O-CB 3.23Å; G61-A64 PolarHBondContact O-N 2.91Å; A64-V66 VanDerWaalsContact C-N 3.35Å; A64-C67 WeakPolarHBondContact O-CB 3.39Å; A64-C67 PolarHBondContact O-N 2.83Å; A64-A68 PolarHBondContact O-N 3.45Å |
| 65 | E | 91 | Very high | 81.7 | Confident | 114 Ų | 114 | 64.3 Ų | 64.3 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 171.6 | -67.8 | 173.4 | -165.2 | 0 | 0 | 111.8 | G61 R62 C67 A68 V69 L175 | G61-E65 PolarHBondContact O-N 3.1Å; R62-E65 PolarHBondContact O-N 3.33Å; E65-C67 VanDerWaalsContact C-N 3.34Å; E65-C67 PolarHBondContact O-N 3.31Å; E65-A68 PolarHBondContact O-N 2.81Å; E65-V69 PolarHBondContact O-N 3.23Å; E65-L175 HydrophobicContact CB-CD2 4.11Å |
| 66 | V | 94.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 174.4 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | L34 R62 L63 A64 A68 V69 L70 W171 T172 V174 L175 | L34-V66 HydrophobicContact CD1-CG1 3.69Å; L34-V66 HydrophobicContact CD2-CB 4.19Å; L34-V66 HydrophobicContact CD2-CG1 3.76Å; L34-V66 HydrophobicContact CG-CG1 4.4Å; R62-V66 WeakPolarHBondContact O-CG2 3.49Å; R62-V66 PolarHBondContact O-N 3.37Å; R62-V66 VanDerWaalsContact O-N 3.07Å; L63-V66 WeakPolarHBondContact O-CB 3.05Å; L63-V66 PolarHBondContact O-N 2.89Å; A64-V66 VanDerWaalsContact C-N 3.35Å; V66-A68 VanDerWaalsContact C-N 3.35Å; V66-A68 PolarHBondContact O-N 3.01Å; V66-V69 PolarHBondContact O-N 2.77Å; V66-L70 HydrophobicContact CG1-CD1 4.03Å; V66-L70 HydrophobicContact CG1-CG 4.26Å; V66-L70 VanDerWaalsContact O-CG 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.4Å; V66-L70 PolarHBondContact O-N 3.1Å; V66-W171 HydrophobicContact CG1-CB 4.36Å; V66-W171 WeakPolarHBondContact CG2-O 3.43Å; V66-T172 HydrophobicContact CG2-CG2 4.36Å; V66-V174 HydrophobicContact CB-CG1 4.38Å; V66-V174 HydrophobicContact CG1-CG1 3.85Å; V66-V174 HydrophobicContact CG2-CG1 4.2Å; V66-L175 HydrophobicContact CG2-CD1 4.35Å; V66-L175 HydrophobicContact CG2-CD2 3.99Å; V66-L175 HydrophobicContact CG2-CG 4.08Å |
| 67 | C | 93.2 | Very high | 85.3 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 8% | 0.081 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 178.1 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | L34 E37 L63 A64 E65 V69 L70 L71 | L34-C67 HydrophobicContact CD2-CB 3.86Å; E37-C67 VanDerWaalsContact CB-SG 3.52Å; L63-C67 WeakPolarHBondContact O-CB 3.34Å; L63-C67 PolarHBondContact O-N 3.47Å; A64-C67 WeakPolarHBondContact O-CB 3.39Å; A64-C67 PolarHBondContact O-N 2.83Å; E65-C67 VanDerWaalsContact C-N 3.34Å; E65-C67 PolarHBondContact O-N 3.31Å; C67-V69 VanDerWaalsContact C-N 3.34Å; C67-V69 PolarHBondContact O-N 3.21Å; C67-L70 PolarHBondContact O-N 3.33Å; C67-L71 WeakPolarHBondContact O-CB 3.45Å; C67-L71 WeakPolarHBondContact O-CG 3.22Å; C67-L71 PolarHBondContact O-N 2.91Å |
| 68 | A | 92.6 | Very high | 86.7 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 49% | 0.488 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A64 E65 V66 L71 R72 | A64-A68 PolarHBondContact O-N 3.45Å; E65-A68 PolarHBondContact O-N 2.81Å; V66-A68 VanDerWaalsContact C-N 3.35Å; V66-A68 PolarHBondContact O-N 3.01Å; A68-L71 PolarHBondContact O-N 2.92Å; A68-R72 WeakPolarHBondContact O-CB 3.47Å; A68-R72 PolarHBondContact O-N 3.39Å |
| 69 | V | 94.6 | Very high | 88.2 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 175.4 | 165.3 | 0 | 0 | 0 | 0 | 111.6 | E65 V66 C67 L71 R72 L73 V174 L175 V178 | E65-V69 PolarHBondContact O-N 3.23Å; V66-V69 PolarHBondContact O-N 2.77Å; C67-V69 VanDerWaalsContact C-N 3.34Å; C67-V69 PolarHBondContact O-N 3.21Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.34Å; V69-R72 PolarHBondContact O-N 3.14Å; V69-L73 HydrophobicContact CG1-CD1 3.82Å; V69-L73 HydrophobicContact CG1-CG 4.28Å; V69-L73 WeakPolarHBondContact O-CB 3.32Å; V69-L73 WeakPolarHBondContact O-CG 3.35Å; V69-L73 PolarHBondContact O-N 3.2Å; V69-V174 HydrophobicContact CG1-CG1 4.17Å; V69-V174 HydrophobicContact CG1-CG2 4.16Å; V69-L175 HydrophobicContact CB-CD2 4.14Å; V69-L175 HydrophobicContact CG2-CD2 3.66Å; V69-V178 HydrophobicContact CG1-CB 4.49Å; V69-V178 HydrophobicContact CG1-CG2 3.65Å; V69-V178 HydrophobicContact CG2-CG2 4.3Å |
| 70 | L | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58 | -47.5 | 176.2 | -71.3 | 176.7 | 0 | 0 | 0 | 110.6 | L34 Y38 V66 C67 R72 L73 G74 V124 Y127 V174 | L34-L70 HydrophobicContact CB-CD1 4.4Å; L34-L70 HydrophobicContact CD1-CD1 4.21Å; L34-L70 HydrophobicContact CD2-CD1 4.44Å; Y38-L70 HydrophobicContact CD2-CB 3.95Å; Y38-L70 HydrophobicContact CE2-CB 4.03Å; Y38-L70 WeakPolarHBondContact CE2-O 3.21Å; V66-L70 HydrophobicContact CG1-CD1 4.03Å; V66-L70 HydrophobicContact CG1-CG 4.26Å; V66-L70 VanDerWaalsContact O-CG 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.4Å; V66-L70 PolarHBondContact O-N 3.1Å; C67-L70 PolarHBondContact O-N 3.33Å; L70-R72 PolarHBondContact O-N 3.15Å; L70-L73 PolarHBondContact O-N 3.3Å; L70-G74 PolarHBondContact O-N 2.91Å; L70-V124 HydrophobicContact CD2-CG2 3.69Å; L70-Y127 HydrophobicContact CD1-CD1 4.44Å; L70-Y127 HydrophobicContact CD1-CE1 4.37Å; L70-V174 HydrophobicContact CD2-CG2 4.16Å |
| 71 | L | 94.2 | Very high | 89.8 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 178.2 | -77 | 166.5 | 0 | 0 | 0 | 111.6 | Y38 A41 R42 C67 A68 V69 G74 D75 | Y38-L71 HydrophobicContact CD1-CD2 4.28Å; Y38-L71 HydrophobicContact CD2-CD2 3.72Å; Y38-L71 HydrophobicContact CD2-CG 3.89Å; Y38-L71 HydrophobicContact CE1-CD2 4.36Å; Y38-L71 HydrophobicContact CE2-CD2 3.83Å; Y38-L71 HydrophobicContact CE2-CG 4.12Å; Y38-L71 HydrophobicContact CG-CD2 3.96Å; Y38-L71 HydrophobicContact CG-CG 4.49Å; A41-L71 HydrophobicContact CB-CD1 3.75Å; A41-L71 HydrophobicContact CB-CD2 3.85Å; A41-L71 HydrophobicContact CB-CG 4.47Å; R42-L71 HydrophobicContact CG-CD2 4.4Å; C67-L71 WeakPolarHBondContact O-CB 3.45Å; C67-L71 WeakPolarHBondContact O-CG 3.22Å; C67-L71 PolarHBondContact O-N 2.91Å; A68-L71 PolarHBondContact O-N 2.92Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.34Å; L71-G74 PolarHBondContact O-N 2.91Å; L71-D75 PolarHBondContact O-N 3.47Å |
| 72 | R | 94.1 | Very high | 89.9 | Confident | 129 Ų | 129 | 62.3 Ų | 62.3 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.9 | -175.6 | 173.6 | -176.4 | -109.6 | -6.9 | 111.9 | A68 V69 L70 G74 D75 E76 | A68-R72 WeakPolarHBondContact O-CB 3.47Å; A68-R72 PolarHBondContact O-N 3.39Å; V69-R72 PolarHBondContact O-N 3.14Å; L70-R72 PolarHBondContact O-N 3.15Å; R72-G74 VanDerWaalsContact C-N 3.26Å; R72-G74 PolarHBondContact O-N 3.33Å; R72-D75 WeakPolarHBondContact O-CB 3.38Å; R72-D75 PolarHBondContact O-N 2.91Å; R72-E76 WeakPolarHBondContact O-CG 3.48Å; R72-E76 PolarHBondContact O-N 2.99Å; R72-E76 VanDerWaalsContact O-N 3.1Å |
| 73 | L | 94 | Very high | 89.7 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 177.2 | -68.7 | 174.4 | 0 | 0 | 0 | 111.4 | V69 L70 D75 E76 L77 V124 V174 C177 V178 | V69-L73 HydrophobicContact CG1-CD1 3.82Å; V69-L73 HydrophobicContact CG1-CG 4.28Å; V69-L73 WeakPolarHBondContact O-CB 3.32Å; V69-L73 WeakPolarHBondContact O-CG 3.35Å; V69-L73 PolarHBondContact O-N 3.2Å; L70-L73 PolarHBondContact O-N 3.3Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-E76 PolarHBondContact O-N 2.95Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.4Å; L73-V124 HydrophobicContact CB-CB 4.41Å; L73-V124 HydrophobicContact CB-CG1 3.81Å; L73-V124 HydrophobicContact CB-CG2 3.86Å; L73-V124 HydrophobicContact CD1-CG2 3.88Å; L73-V174 HydrophobicContact CD1-CG2 4.11Å; L73-C177 HydrophobicContact CD1-CB 4.31Å; L73-V178 HydrophobicContact CD1-CG2 4.41Å; L73-V178 HydrophobicContact CD2-CG2 3.99Å; L73-V178 HydrophobicContact CG-CG2 4.15Å |
| 74 | G | 93.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y38 L70 L71 R72 L77 E78 V124 | Y38-G74 WeakPolarHBondContact OH-CA 3.25Å; L70-G74 PolarHBondContact O-N 2.91Å; L71-G74 PolarHBondContact O-N 2.91Å; R72-G74 VanDerWaalsContact C-N 3.26Å; R72-G74 PolarHBondContact O-N 3.33Å; G74-L77 PolarHBondContact O-N 3.21Å; G74-E78 WeakPolarHBondContact O-CB 3.35Å; G74-E78 PolarHBondContact O-N 2.88Å; G74-V124 VanDerWaalsContact N-CG1 3.34Å |
| 75 | D | 90.7 | Very high | 88.5 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.8 | -73.1 | -28.4 | 0 | 0 | 0 | 112.3 | R45 L71 R72 L73 E78 M79 | R45-D75 IonicContact CZ-OD1 3.95Å; R45-D75 IonicContact CZ-OD2 2.65Å; R45-D75 IonicContact NH1-OD1 3.14Å; R45-D75 PolarHBondContact NH1-OD1 3.42Å; R45-D75 IonicContact NH1-OD2 3.55Å; R45-D75 PolarHBondContact NH1-OD2 2.95Å; R45-D75 IonicContact NH2-OD1 3.57Å; R45-D75 PolarHBondContact NH2-OD1 3.36Å; R45-D75 IonicContact NH2-OD2 3.5Å; R45-D75 PolarHBondContact NH2-OD2 3.21Å; L71-D75 PolarHBondContact O-N 3.47Å; R72-D75 WeakPolarHBondContact O-CB 3.38Å; R72-D75 PolarHBondContact O-N 2.91Å; L73-D75 VanDerWaalsContact C-N 3.34Å; D75-E78 PolarHBondContact O-N 3.13Å; D75-M79 WeakPolarHBondContact O-CB 3.48Å; D75-M79 PolarHBondContact O-N 3.06Å |
| 76 | E | 91 | Very high | 87.8 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.6 | -63.9 | -66.9 | 162.2 | 0 | 0 | 111 | R72 L73 E78 M79 I80 | R72-E76 WeakPolarHBondContact O-CG 3.48Å; R72-E76 PolarHBondContact O-N 2.99Å; R72-E76 VanDerWaalsContact O-N 3.1Å; L73-E76 PolarHBondContact O-N 2.95Å; E76-E78 PolarHBondContact O-N 3.35Å; E76-M79 PolarHBondContact O-N 3.1Å; E76-M79 WeakPolarHBondContact OE2-CE 3.35Å; E76-I80 WeakPolarHBondContact O-CD1 3.35Å; E76-I80 WeakPolarHBondContact O-CG1 3.45Å; E76-I80 PolarHBondContact O-N 3Å |
| 77 | L | 88.3 | Confident | 86.9 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.2 | -72.5 | 178 | 0 | 0 | 0 | 112.5 | L73 G74 M79 I80 R81 Y85 V124 | L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.4Å; G74-L77 PolarHBondContact O-N 3.21Å; L77-M79 VanDerWaalsContact C-N 3.35Å; L77-I80 PolarHBondContact O-N 3.24Å; L77-R81 PolarHBondContact O-N 3.3Å; L77-Y85 HydrophobicContact CB-CD2 4.49Å; L77-Y85 HydrophobicContact CB-CE2 3.77Å; L77-Y85 WeakPolarHBondContact O-CE2 3.29Å; L77-V124 HydrophobicContact CD1-CB 3.93Å; L77-V124 HydrophobicContact CD1-CG1 3.64Å |
| 78 | E | 86.7 | Confident | 86 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 177.2 | -173.7 | 174.2 | 162 | 0 | 0 | 112 | R42 G74 D75 E76 R81 P82 Y85 R86 | R42-E78 IonicContact CZ-OE2 3.81Å; R42-E78 IonicContact NE-OE2 3.62Å; R42-E78 IonicContact NH2-OE1 2.8Å; R42-E78 IonicContact NH2-OE2 2.73Å; R42-E78 PolarHBondContact NH2-OE2 3.17Å; G74-E78 WeakPolarHBondContact O-CB 3.35Å; G74-E78 PolarHBondContact O-N 2.88Å; D75-E78 PolarHBondContact O-N 3.13Å; E76-E78 PolarHBondContact O-N 3.35Å; E78-R81 CarbonylContact O-C 3.48Å; E78-P82 WeakPolarHBondContact O-CA 3.38Å; E78-P82 WeakPolarHBondContact O-CB 3.25Å; E78-P82 WeakPolarHBondContact O-CD 3.31Å; E78-Y85 HydrophobicContact CB-CD2 4.46Å; E78-R86 HydrophobicContact CG-CG 4.25Å; E78-R86 VanDerWaalsContact OE1-CG 3.27Å; E78-R86 WeakPolarHBondContact OE1-CG 3.34Å; E78-R86 IonicContact OE1-CZ 3.94Å; E78-R86 IonicContact OE1-NE 3.58Å; E78-R86 PolarHBondContact OE1-NE 3.32Å; E78-R86 IonicContact OE1-NH2 3.63Å |
| 79 | M | 87.4 | Confident | 85.1 | Confident | 132 Ų | 132 | 59.3 Ų | 59.3 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 173.5 | -177.9 | -179.6 | 61.1 | 0 | 0 | 111.7 | D75 E76 L77 | D75-M79 WeakPolarHBondContact O-CB 3.48Å; D75-M79 PolarHBondContact O-N 3.06Å; E76-M79 PolarHBondContact O-N 3.1Å; E76-M79 WeakPolarHBondContact OE2-CE 3.35Å; L77-M79 VanDerWaalsContact C-N 3.35Å |
| 80 | I | 85.6 | Confident | 84.3 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 59% | 0.59 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.1 | -39 | -179.3 | -62 | 161.7 | 0 | 0 | 0 | 111.2 | E76 L77 | E76-I80 WeakPolarHBondContact O-CD1 3.35Å; E76-I80 WeakPolarHBondContact O-CG1 3.45Å; E76-I80 PolarHBondContact O-N 3Å; L77-I80 PolarHBondContact O-N 3.24Å |
| 81 | R | 82.9 | Confident | 83.4 | Confident | 162 Ų | 162 | 70.1 Ų | 70.1 | 61% | 0.611 | 33% | 0.332 | S | S | * | . | trans | -135.3 | 69.5 | -176.4 | -60 | -171.6 | -174.4 | 162.9 | 1.4 | 111.9 | L77 E78 S83 V84 Y85 | L77-R81 PolarHBondContact O-N 3.3Å; E78-R81 CarbonylContact O-C 3.48Å; R81-S83 PolarHBondContact O-N 2.93Å; R81-S83 VanDerWaalsContact O-N 3.16Å; R81-V84 HydrophobicContact CB-CB 4.33Å; R81-V84 HydrophobicContact CB-CG2 4.02Å; R81-V84 PolarHBondContact O-N 3.33Å; R81-Y85 HydrophobicContact CB-CE2 4.34Å; R81-Y85 WeakPolarHBondContact O-CD2 3.34Å | ||
| 82 | P | 80.6 | Confident | 82.6 | Confident | 54 Ų | 54 | 71.4 Ų | 71.4 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -31 | -177 | 23.4 | -33.6 | 0 | 0 | 0 | 112.4 | E78 V84 Y85 R86 | E78-P82 WeakPolarHBondContact O-CA 3.38Å; E78-P82 WeakPolarHBondContact O-CB 3.25Å; E78-P82 WeakPolarHBondContact O-CD 3.31Å; P82-V84 PolarHBondContact O-N 2.93Å; P82-Y85 PolarHBondContact O-N 3.16Å; P82-R86 WeakPolarHBondContact O-CB 3.42Å; P82-R86 PolarHBondContact O-N 3.01Å; P82-R86 VanDerWaalsContact O-N 3.12Å |
| 83 | S | 77.3 | Confident | 81.9 | Confident | 88 Ų | 88 | 73.7 Ų | 73.7 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69.8 | -5.5 | 177.6 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | R81 Q91 | R81-S83 PolarHBondContact O-N 2.93Å; R81-S83 VanDerWaalsContact O-N 3.16Å; S83-Q91 PolarHBondContact O-NE2 3.01Å; S83-Q91 PolarHBondContact O-OE1 2.93Å |
| 84 | V | 74.7 | Confident | 81.3 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 38% | 0.376 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -100.1 | -33.1 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | R81 P82 | R81-V84 HydrophobicContact CB-CB 4.33Å; R81-V84 HydrophobicContact CB-CG2 4.02Å; R81-V84 PolarHBondContact O-N 3.33Å; P82-V84 PolarHBondContact O-N 2.93Å |
| 85 | Y | 76.6 | Confident | 80.8 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 6% | 0.059 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -108 | -10.1 | -169.1 | -56.6 | -73.9 | 0 | 0 | 0 | 114.4 | L77 E78 R81 P82 S125 A128 V129 | L77-Y85 HydrophobicContact CB-CD2 4.49Å; L77-Y85 HydrophobicContact CB-CE2 3.77Å; L77-Y85 WeakPolarHBondContact O-CE2 3.29Å; E78-Y85 HydrophobicContact CB-CD2 4.46Å; R81-Y85 HydrophobicContact CB-CE2 4.34Å; R81-Y85 WeakPolarHBondContact O-CD2 3.34Å; P82-Y85 PolarHBondContact O-N 3.16Å; Y85-S125 WeakPolarHBondContact OH-CB 3.11Å; Y85-S125 PolarHBondContact OH-OG 3.48Å; Y85-A128 HydrophobicContact CD1-CB 3.6Å; Y85-A128 HydrophobicContact CE1-CB 3.91Å; Y85-A128 HydrophobicContact CG-CB 4.41Å; Y85-V129 HydrophobicContact CD1-CG2 4.27Å; Y85-V129 HydrophobicContact CE1-CG2 4.36Å |
| 86 | R | 75.6 | Confident | 80.3 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 50% | 0.502 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -103.9 | 133 | 178.9 | -65.9 | -176.2 | 174.8 | 166.7 | 2.7 | 112.7 | E78 P82 Q91 | E78-R86 HydrophobicContact CG-CG 4.25Å; E78-R86 VanDerWaalsContact OE1-CG 3.27Å; E78-R86 WeakPolarHBondContact OE1-CG 3.34Å; E78-R86 IonicContact OE1-CZ 3.94Å; E78-R86 IonicContact OE1-NE 3.58Å; E78-R86 PolarHBondContact OE1-NE 3.32Å; E78-R86 IonicContact OE1-NH2 3.63Å; P82-R86 WeakPolarHBondContact O-CB 3.42Å; P82-R86 PolarHBondContact O-N 3.01Å; P82-R86 VanDerWaalsContact O-N 3.12Å; R86-Q91 PolarHBondContact O-NE2 3.31Å |
| 87 | N | 75.2 | Confident | 79.9 | Confident | 59 Ų | 59 | 76.5 Ų | 76.5 | 32% | 0.316 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 58 | 49 | -179.7 | -45.5 | -86.1 | 0 | 0 | 0 | 111.3 | A89 R90 Q91 | N87-A89 VanDerWaalsContact C-N 3.25Å; N87-A89 PolarHBondContact O-N 3.31Å; N87-R90 HydrophobicContact CB-CB 4.01Å; N87-R90 PolarHBondContact ND2-NH2 2.88Å; N87-R90 WeakPolarHBondContact O-CB 3.29Å; N87-R90 PolarHBondContact O-N 3.42Å; N87-R90 VanDerWaalsContact O-N 3.1Å; N87-Q91 WeakPolarHBondContact O-CG 3.43Å; N87-Q91 PolarHBondContact O-N 3.27Å |
| 88 | V | 75.3 | Confident | 79.9 | Confident | 5 Ų | 5 | 76.4 Ų | 76.4 | 3% | 0.03 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.5 | -42.3 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | R90 Q91 L92 V129 L133 D136 | V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.41Å; V88-Q91 PolarHBondContact O-N 3.13Å; V88-Q91 VanDerWaalsContact O-N 3.16Å; V88-L92 HydrophobicContact CG1-CD1 3.74Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.49Å; V88-V129 HydrophobicContact CG1-CG1 4.21Å; V88-L133 HydrophobicContact CB-CD2 3.98Å; V88-L133 HydrophobicContact CB-CG 4.2Å; V88-L133 HydrophobicContact CG1-CD1 4.5Å; V88-L133 HydrophobicContact CG1-CD2 3.7Å; V88-L133 HydrophobicContact CG1-CG 3.85Å; V88-D136 PolarHBondContact N-OD2 3.19Å |
| 89 | A | 73 | Confident | 80.2 | Confident | 5 Ų | 5 | 80.3 Ų | 80.3 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N87 L92 H93 I94 L96 L133 D136 | N87-A89 VanDerWaalsContact C-N 3.25Å; N87-A89 PolarHBondContact O-N 3.31Å; A89-L92 PolarHBondContact O-N 3.19Å; A89-H93 PolarHBondContact O-N 3.49Å; A89-H93 VanDerWaalsContact O-N 3.07Å; A89-I94 HydrophobicContact CB-CD1 4.37Å; A89-I94 HydrophobicContact CB-CG1 4.08Å; A89-I94 PolarHBondContact O-N 2.87Å; A89-L96 HydrophobicContact CB-CD1 3.87Å; A89-L96 HydrophobicContact CB-CD2 3.8Å; A89-L96 HydrophobicContact CB-CG 4.08Å; A89-L133 HydrophobicContact CB-CD2 4.37Å; A89-D136 HydrophobicContact CB-CB 3.95Å; A89-D136 WeakPolarHBondContact CB-OD2 3.31Å; A89-D136 PolarHBondContact N-OD2 2.94Å |
| 90 | R | 77.4 | Confident | 80.5 | Confident | 168 Ų | 168 | 77.7 Ų | 77.7 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67.5 | -38.4 | 177.5 | -177.1 | 178.7 | 59.3 | 171 | 0.4 | 111.9 | N87 V88 L92 H93 | N87-R90 HydrophobicContact CB-CB 4.01Å; N87-R90 PolarHBondContact ND2-NH2 2.88Å; N87-R90 WeakPolarHBondContact O-CB 3.29Å; N87-R90 PolarHBondContact O-N 3.42Å; N87-R90 VanDerWaalsContact O-N 3.1Å; V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3.41Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-H93 PolarHBondContact O-N 2.74Å |
| 91 | Q | 77.3 | Confident | 80.8 | Confident | 81 Ų | 81 | 75 Ų | 75 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 176.6 | -65.3 | 178.9 | 30.7 | 0 | 0 | 112.6 | S83 R86 N87 V88 H93 | S83-Q91 PolarHBondContact O-NE2 3.01Å; S83-Q91 PolarHBondContact O-OE1 2.93Å; R86-Q91 PolarHBondContact O-NE2 3.31Å; N87-Q91 WeakPolarHBondContact O-CG 3.43Å; N87-Q91 PolarHBondContact O-N 3.27Å; V88-Q91 PolarHBondContact O-N 3.13Å; V88-Q91 VanDerWaalsContact O-N 3.16Å; Q91-H93 VanDerWaalsContact C-N 3.28Å |
| 92 | L | 78.2 | Confident | 81.3 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 31% | 0.314 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.6 | 177.3 | -64.4 | 174.9 | 0 | 0 | 0 | 112.9 | V88 A89 R90 I94 A105 V109 L133 | V88-L92 HydrophobicContact CG1-CD1 3.74Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.49Å; A89-L92 PolarHBondContact O-N 3.19Å; R90-L92 VanDerWaalsContact C-N 3.32Å; L92-I94 HydrophobicContact CB-CD1 4.41Å; L92-I94 HydrophobicContact CB-CG1 4.08Å; L92-I94 HydrophobicContact CB-CG2 3.88Å; L92-I94 HydrophobicContact CD1-CD1 4.3Å; L92-I94 PolarHBondContact O-N 2.66Å; L92-A105 HydrophobicContact CD1-CB 4.23Å; L92-V109 HydrophobicContact CD1-CG2 3.93Å; L92-V109 HydrophobicContact CD2-CG2 3.67Å; L92-V109 HydrophobicContact CG-CG2 4.43Å; L92-L133 HydrophobicContact CD1-CD2 4.42Å |
| 93 | H | 79.8 | Confident | 81.9 | Confident | 177 Ų | 177 | 65.8 Ų | 65.8 | 82% | 0.819 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 34.2 | -174.6 | -60.5 | -78.4 | 0 | 0 | 0 | 113.4 | A89 R90 Q91 | A89-H93 PolarHBondContact O-N 3.49Å; A89-H93 VanDerWaalsContact O-N 3.07Å; R90-H93 PolarHBondContact O-N 2.74Å; Q91-H93 VanDerWaalsContact C-N 3.28Å |
| 94 | I | 81.8 | Confident | 82.7 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | trans | -93.5 | 145.1 | -176.6 | 57.6 | 170.8 | 0 | 0 | 0 | 112.3 | A89 L92 L96 V101 A105 L133 | A89-I94 HydrophobicContact CB-CD1 4.37Å; A89-I94 HydrophobicContact CB-CG1 4.08Å; A89-I94 PolarHBondContact O-N 2.87Å; L92-I94 HydrophobicContact CB-CD1 4.41Å; L92-I94 HydrophobicContact CB-CG1 4.08Å; L92-I94 HydrophobicContact CB-CG2 3.88Å; L92-I94 HydrophobicContact CD1-CD1 4.3Å; L92-I94 PolarHBondContact O-N 2.66Å; I94-L96 HydrophobicContact CD1-CD2 3.7Å; I94-L96 HydrophobicContact CG1-CD2 3.96Å; I94-V101 HydrophobicContact CB-CG1 4.18Å; I94-V101 HydrophobicContact CG2-CG1 4.33Å; I94-A105 HydrophobicContact CD1-CB 3.95Å; I94-A105 HydrophobicContact CG2-CB 3.9Å; I94-L133 HydrophobicContact CD1-CD2 3.98Å | ||
| 95 | S | 81.9 | Confident | 83.6 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | trans | -80.9 | 126 | 165.6 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | Q97 | S95-Q97 PolarHBondContact O-N 3.44Å; S95-Q97 WeakPolarHBondContact OG-CG 3.34Å | ||
| 96 | L | 80.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 17 | 177.5 | -54.1 | -175.2 | 0 | 0 | 0 | 113.1 | A89 I94 V102 D136 Q140 | A89-L96 HydrophobicContact CB-CD1 3.87Å; A89-L96 HydrophobicContact CB-CD2 3.8Å; A89-L96 HydrophobicContact CB-CG 4.08Å; I94-L96 HydrophobicContact CD1-CD2 3.7Å; I94-L96 HydrophobicContact CG1-CD2 3.96Å; L96-V102 HydrophobicContact CB-CG2 4.4Å; L96-V102 HydrophobicContact CD2-CG2 3.64Å; L96-D136 HydrophobicContact CD1-CB 3.77Å; L96-Q140 HydrophobicContact CD1-CG 4.33Å; L96-Q140 VanDerWaalsContact CD1-NE2 3.25Å |
| 97 | Q | 82.5 | Confident | 85.4 | Confident | 123 Ų | 123 | 60.3 Ų | 60.3 | 58% | 0.575 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -20.2 | -177.7 | -62.5 | -59.6 | -45.1 | 0 | 0 | 113.1 | S95 | S95-Q97 PolarHBondContact O-N 3.44Å; S95-Q97 WeakPolarHBondContact OG-CG 3.34Å |
| 98 | S | 89.1 | Confident | 86.3 | Confident | 42 Ų | 42 | 60 Ų | 60 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | trans | -128.7 | 129 | -177 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | V101 V102 | S98-V101 PolarHBondContact O-N 3.31Å; S98-V101 VanDerWaalsContact OG-CB 3.25Å; S98-V101 WeakPolarHBondContact OG-CB 3.41Å; S98-V101 WeakPolarHBondContact OG-CG2 3.27Å; S98-V102 PolarHBondContact O-N 3.36Å | ||
| 99 | E | 92.9 | Very high | 87.1 | Confident | 101 Ų | 101 | 61.2 Ų | 61.2 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52 | -49.6 | 176.7 | -171.8 | -175.3 | 138.3 | 0 | 0 | 114.3 | V101 V102 T103 M145 A148 | E99-V101 VanDerWaalsContact C-N 3.28Å; E99-V101 PolarHBondContact O-N 3.33Å; E99-V102 PolarHBondContact O-N 3.23Å; E99-V102 VanDerWaalsContact O-N 3.09Å; E99-T103 HydrophobicContact CG-CG2 4.23Å; E99-T103 PolarHBondContact O-N 3.23Å; E99-T103 PolarHBondContact O-OG1 3.33Å; E99-T103 VanDerWaalsContact O-OG1 3.1Å; E99-M145 WeakPolarHBondContact CA-SD 3.23Å; E99-M145 HydrophobicContact CB-CE 3.96Å; E99-M145 HydrophobicContact CB-SD 3.6Å; E99-M145 HydrophobicContact CG-SD 3.94Å; E99-A148 HydrophobicContact CG-CB 3.5Å; E99-A148 VanDerWaalsContact CG-CB 3.5Å; E99-A148 WeakPolarHBondContact OE1-CB 3.48Å |
| 100 | P | 93.1 | Very high | 88.2 | Confident | 77 Ų | 77 | 61 Ų | 61 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | -178.2 | 22.4 | -34.6 | 0 | 0 | 0 | 112.5 | V102 T103 D104 | P100-V102 VanDerWaalsContact C-N 3.32Å; P100-V102 PolarHBondContact O-N 2.93Å; P100-T103 WeakPolarHBondContact CA-OG1 3.46Å; P100-T103 PolarHBondContact O-N 2.84Å; P100-T103 PolarHBondContact O-OG1 3.05Å; P100-D104 WeakPolarHBondContact O-CB 3.3Å; P100-D104 PolarHBondContact O-N 2.81Å |
| 101 | V | 91.9 | Very high | 89 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | I94 S98 E99 A105 | I94-V101 HydrophobicContact CB-CG1 4.18Å; I94-V101 HydrophobicContact CG2-CG1 4.33Å; S98-V101 PolarHBondContact O-N 3.31Å; S98-V101 VanDerWaalsContact OG-CB 3.25Å; S98-V101 WeakPolarHBondContact OG-CB 3.41Å; S98-V101 WeakPolarHBondContact OG-CG2 3.27Å; E99-V101 VanDerWaalsContact C-N 3.28Å; E99-V101 PolarHBondContact O-N 3.33Å; V101-A105 WeakPolarHBondContact O-CB 3.34Å; V101-A105 PolarHBondContact O-N 2.84Å |
| 102 | V | 92.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.9 | -44.2 | 179.9 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | L96 S98 E99 P100 F106 L149 | L96-V102 HydrophobicContact CB-CG2 4.4Å; L96-V102 HydrophobicContact CD2-CG2 3.64Å; S98-V102 PolarHBondContact O-N 3.36Å; E99-V102 PolarHBondContact O-N 3.23Å; E99-V102 VanDerWaalsContact O-N 3.09Å; P100-V102 VanDerWaalsContact C-N 3.32Å; P100-V102 PolarHBondContact O-N 2.93Å; V102-F106 WeakPolarHBondContact O-CB 3.08Å; V102-F106 PolarHBondContact O-N 3.4Å; V102-L149 HydrophobicContact CG1-CD1 4.28Å; V102-L149 HydrophobicContact CG1-CD2 3.94Å; V102-L149 HydrophobicContact CG1-CG 4.21Å |
| 103 | T | 94.7 | Very high | 90.5 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 14% | 0.135 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.2 | -39.4 | -179.4 | 54.3 | 0 | 0 | 0 | 0 | 112 | E99 P100 F106 L107 A148 C152 | E99-T103 HydrophobicContact CG-CG2 4.23Å; E99-T103 PolarHBondContact O-N 3.23Å; E99-T103 PolarHBondContact O-OG1 3.33Å; E99-T103 VanDerWaalsContact O-OG1 3.1Å; P100-T103 WeakPolarHBondContact CA-OG1 3.46Å; P100-T103 PolarHBondContact O-N 2.84Å; P100-T103 PolarHBondContact O-OG1 3.05Å; T103-F106 WeakPolarHBondContact O-CB 3.38Å; T103-F106 PolarHBondContact O-N 3.38Å; T103-L107 WeakPolarHBondContact O-CG 3.19Å; T103-L107 PolarHBondContact O-N 2.9Å; T103-A148 HydrophobicContact CG2-CB 4.06Å; T103-C152 HydrophobicContact CG2-CB 4.2Å |
| 104 | D | 93.7 | Very high | 91.3 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 174.6 | -72.5 | -20.2 | 0 | 0 | 0 | 111.5 | P100 F106 L107 A108 | P100-D104 WeakPolarHBondContact O-CB 3.3Å; P100-D104 PolarHBondContact O-N 2.81Å; D104-F106 VanDerWaalsContact C-N 3.34Å; D104-F106 PolarHBondContact O-N 3.48Å; D104-L107 PolarHBondContact O-N 3.47Å; D104-A108 WeakPolarHBondContact O-CB 3.36Å; D104-A108 PolarHBondContact O-N 2.82Å |
| 105 | A | 92.5 | Very high | 91.9 | Very high | 16 Ų | 16 | 52 Ų | 52 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L92 I94 V101 A108 V109 | L92-A105 HydrophobicContact CD1-CB 4.23Å; I94-A105 HydrophobicContact CD1-CB 3.95Å; I94-A105 HydrophobicContact CG2-CB 3.9Å; V101-A105 WeakPolarHBondContact O-CB 3.34Å; V101-A105 PolarHBondContact O-N 2.84Å; A105-A108 PolarHBondContact O-N 3.03Å; A105-V109 WeakPolarHBondContact O-CG2 3Å; A105-V109 PolarHBondContact O-N 3.29Å; A105-V109 VanDerWaalsContact O-N 3.07Å |
| 106 | F | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 173.5 | 171 | -107.1 | 0 | 0 | 0 | 112 | V102 T103 D104 A108 V109 A110 L126 V129 A130 L133 L149 C152 L153 | V102-F106 WeakPolarHBondContact O-CB 3.08Å; V102-F106 PolarHBondContact O-N 3.4Å; T103-F106 WeakPolarHBondContact O-CB 3.38Å; T103-F106 PolarHBondContact O-N 3.38Å; D104-F106 VanDerWaalsContact C-N 3.34Å; D104-F106 PolarHBondContact O-N 3.48Å; F106-A108 PolarHBondContact O-N 2.82Å; F106-V109 PolarHBondContact O-N 2.76Å; F106-A110 WeakPolarHBondContact O-CB 2.93Å; F106-A110 PolarHBondContact O-N 3.34Å; F106-L126 HydrophobicContact CE1-CD1 4.37Å; F106-L126 HydrophobicContact CE2-CD1 3.61Å; F106-L126 HydrophobicContact CE2-CG 4.3Å; F106-L126 HydrophobicContact CZ-CD1 3.42Å; F106-L126 VanDerWaalsContact CZ-CD1 3.42Å; F106-L126 HydrophobicContact CZ-CG 3.97Å; F106-V129 HydrophobicContact CD2-CG1 4.05Å; F106-V129 HydrophobicContact CE2-CG1 4.38Å; F106-A130 HydrophobicContact CD2-CB 4.36Å; F106-A130 HydrophobicContact CE2-CB 3.67Å; F106-A130 HydrophobicContact CZ-CB 4.12Å; F106-L133 HydrophobicContact CB-CD1 3.81Å; F106-L133 HydrophobicContact CD2-CD1 4.1Å; F106-L133 HydrophobicContact CG-CD1 4.4Å; F106-L149 HydrophobicContact CB-CD2 4.03Å; F106-L149 HydrophobicContact CG-CD2 4.14Å; F106-C152 HydrophobicContact CD1-CB 4.17Å; F106-C152 HydrophobicContact CE1-CB 4.35Å; F106-L153 HydrophobicContact CE1-CB 4.31Å; F106-L153 HydrophobicContact CZ-CB 4.18Å; F106-L153 HydrophobicContact CZ-CD1 4.03Å |
| 107 | L | 95.8 | Very high | 93.2 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 178.7 | -72.2 | 174.3 | 0 | 0 | 0 | 112.8 | T103 D104 A110 G111 C152 F156 | T103-L107 WeakPolarHBondContact O-CG 3.19Å; T103-L107 PolarHBondContact O-N 2.9Å; D104-L107 PolarHBondContact O-N 3.47Å; L107-A110 PolarHBondContact O-N 3.5Å; L107-G111 PolarHBondContact O-N 3.11Å; L107-C152 VanDerWaalsContact CD2-SG 3.59Å; L107-C152 WeakPolarHBondContact CG-SG 3.16Å; L107-F156 HydrophobicContact CD2-CB 4.22Å; L107-F156 HydrophobicContact CD2-CD2 3.82Å; L107-F156 HydrophobicContact CD2-CG 4.46Å |
| 108 | A | 94 | Very high | 93.9 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D104 A105 F106 A110 G111 H112 | D104-A108 WeakPolarHBondContact O-CB 3.36Å; D104-A108 PolarHBondContact O-N 2.82Å; A105-A108 PolarHBondContact O-N 3.03Å; F106-A108 PolarHBondContact O-N 2.82Å; A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.65Å; A108-G111 PolarHBondContact O-N 3.37Å; A108-H112 PolarHBondContact O-CD2 3.34Å; A108-H112 PolarHBondContact O-N 2.91Å |
| 109 | V | 92.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L92 A105 F106 G111 H112 I113 V129 | L92-V109 HydrophobicContact CD1-CG2 3.93Å; L92-V109 HydrophobicContact CD2-CG2 3.67Å; L92-V109 HydrophobicContact CG-CG2 4.43Å; A105-V109 WeakPolarHBondContact O-CG2 3Å; A105-V109 PolarHBondContact O-N 3.29Å; A105-V109 VanDerWaalsContact O-N 3.07Å; F106-V109 PolarHBondContact O-N 2.76Å; V109-G111 PolarHBondContact O-N 3.34Å; V109-H112 PolarHBondContact O-N 3.14Å; V109-I113 HydrophobicContact CG1-CD1 3.86Å; V109-I113 HydrophobicContact CG1-CG1 4.37Å; V109-I113 WeakPolarHBondContact O-CG1 3.27Å; V109-I113 PolarHBondContact O-N 3.41Å; V109-V129 HydrophobicContact CB-CG1 4.48Å; V109-V129 HydrophobicContact CG1-CG1 3.94Å; V109-V129 HydrophobicContact CG1-CG2 4.19Å |
| 110 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.9 | -48 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F106 L107 A108 H112 I113 F114 L126 F156 | F106-A110 WeakPolarHBondContact O-CB 2.93Å; F106-A110 PolarHBondContact O-N 3.34Å; L107-A110 PolarHBondContact O-N 3.5Å; A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.65Å; A110-H112 VanDerWaalsContact C-N 3.29Å; A110-H112 PolarHBondContact O-N 2.86Å; A110-I113 PolarHBondContact O-N 3.4Å; A110-I113 VanDerWaalsContact O-N 3.17Å; A110-F114 WeakPolarHBondContact O-CD2 3.34Å; A110-F114 PolarHBondContact O-N 2.83Å; A110-L126 HydrophobicContact CB-CD1 3.44Å; A110-L126 VanDerWaalsContact CB-CD1 3.44Å; A110-F156 HydrophobicContact CB-CD1 4.49Å; A110-F156 HydrophobicContact CB-CD2 3.87Å; A110-F156 HydrophobicContact CB-CE1 4.22Å; A110-F156 HydrophobicContact CB-CE2 3.54Å; A110-F156 HydrophobicContact CB-CG 4.33Å; A110-F156 HydrophobicContact CB-CZ 3.74Å |
| 111 | G | 94.7 | Very high | 94.5 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.4 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L107 A108 V109 F114 S115 | L107-G111 PolarHBondContact O-N 3.11Å; A108-G111 PolarHBondContact O-N 3.37Å; V109-G111 PolarHBondContact O-N 3.34Å; G111-F114 PolarHBondContact O-N 3.49Å; G111-S115 PolarHBondContact O-N 3.16Å |
| 112 | H | 93.7 | Very high | 94.6 | Very high | 145 Ų | 145 | 45.9 Ų | 45.9 | 67% | 0.671 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 176.1 | -75.8 | -65.7 | 0 | 0 | 0 | 113 | A108 V109 A110 F114 S115 | A108-H112 PolarHBondContact O-CD2 3.34Å; A108-H112 PolarHBondContact O-N 2.91Å; V109-H112 PolarHBondContact O-N 3.14Å; A110-H112 VanDerWaalsContact C-N 3.29Å; A110-H112 PolarHBondContact O-N 2.86Å; H112-F114 VanDerWaalsContact C-N 3.28Å; H112-F114 PolarHBondContact O-N 3.02Å; H112-S115 WeakPolarHBondContact O-CB 3.44Å; H112-S115 PolarHBondContact O-N 3.45Å; H112-S115 PolarHBondContact O-OG 2.89Å |
| 113 | I | 93.5 | Very high | 94.8 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56 | -44.1 | 177.9 | -71.9 | 169.1 | 0 | 0 | 0 | 110.8 | V109 A110 K122 V129 | V109-I113 HydrophobicContact CG1-CD1 3.86Å; V109-I113 HydrophobicContact CG1-CG1 4.37Å; V109-I113 WeakPolarHBondContact O-CG1 3.27Å; V109-I113 PolarHBondContact O-N 3.41Å; A110-I113 PolarHBondContact O-N 3.4Å; A110-I113 VanDerWaalsContact O-N 3.17Å; I113-K122 HydrophobicContact CG2-CB 3.63Å; I113-K122 HydrophobicContact CG2-CD 4.34Å; I113-K122 HydrophobicContact CG2-CG 3.87Å; I113-K122 VanDerWaalsContact O-CD 3.25Å; I113-K122 WeakPolarHBondContact O-CD 3.49Å; I113-K122 WeakPolarHBondContact O-CE 3.44Å; I113-K122 PolarHBondContact O-NZ 3.28Å; I113-V129 HydrophobicContact CD1-CG2 4.33Å |
| 114 | F | 95.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -94.7 | -0.4 | -173.5 | -65.6 | -75.9 | 0 | 0 | 0 | 115 | A110 G111 H112 A116 G117 I118 K122 V123 L126 F156 L161 | A110-F114 WeakPolarHBondContact O-CD2 3.34Å; A110-F114 PolarHBondContact O-N 2.83Å; G111-F114 PolarHBondContact O-N 3.49Å; H112-F114 VanDerWaalsContact C-N 3.28Å; H112-F114 PolarHBondContact O-N 3.02Å; F114-A116 VanDerWaalsContact C-N 3.27Å; F114-A116 PolarHBondContact O-N 3.22Å; F114-A116 VanDerWaalsContact O-N 3.17Å; F114-G117 PolarHBondContact O-N 3.3Å; F114-I118 HydrophobicContact CD1-CB 4.31Å; F114-I118 HydrophobicContact CD1-CG1 3.92Å; F114-I118 HydrophobicContact CD1-CG2 4.26Å; F114-I118 HydrophobicContact CE1-CG2 4.06Å; F114-K122 HydrophobicContact CD1-CB 4.11Å; F114-K122 HydrophobicContact CD1-CD 4.35Å; F114-K122 HydrophobicContact CE1-CB 3.59Å; F114-K122 HydrophobicContact CZ-CB 4.06Å; F114-K122 WeakPolarHBondContact CZ-O 3.47Å; F114-V123 HydrophobicContact CE1-CG2 4.19Å; F114-V123 HydrophobicContact CZ-CG2 4.3Å; F114-L126 HydrophobicContact CE2-CB 4.04Å; F114-L126 HydrophobicContact CE2-CD1 4.24Å; F114-L126 HydrophobicContact CE2-CD2 3.94Å; F114-L126 HydrophobicContact CE2-CG 4.3Å; F114-L126 HydrophobicContact CZ-CB 4.21Å; F114-L126 HydrophobicContact CZ-CD2 4.29Å; F114-F156 AromaticContact CD2-CE1 3.47Å; F114-F156 HydrophobicContact CD2-CE1 3.47Å; F114-F156 VanDerWaalsContact CD2-CE1 3.47Å; F114-F156 AromaticContact CD2-CZ 3.5Å; F114-F156 HydrophobicContact CD2-CZ 3.5Å; F114-F156 AromaticContact CE2-CE1 3.58Å; F114-F156 HydrophobicContact CE2-CE1 3.58Å; F114-F156 HydrophobicContact CE2-CZ 4.08Å; F114-F156 HydrophobicContact CG-CE1 4.31Å; F114-F156 HydrophobicContact CG-CZ 4.26Å; F114-F156 HydrophobicContact CZ-CE1 4.46Å; F114-L161 HydrophobicContact CD1-CD2 4.08Å; F114-L161 HydrophobicContact CE1-CD2 3.79Å; F114-L161 HydrophobicContact CZ-CD1 4.19Å; F114-L161 HydrophobicContact CZ-CD2 4.14Å |
| 115 | S | 94.9 | Very high | 95 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -41.6 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | G111 H112 | G111-S115 PolarHBondContact O-N 3.16Å; H112-S115 WeakPolarHBondContact O-CB 3.44Å; H112-S115 PolarHBondContact O-N 3.45Å; H112-S115 PolarHBondContact O-OG 2.89Å |
| 116 | A | 94.2 | Very high | 95.2 | Very high | 90 Ų | 90 | 40 Ų | 40 | 74% | 0.744 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 23.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | F114 | F114-A116 VanDerWaalsContact C-N 3.27Å; F114-A116 PolarHBondContact O-N 3.22Å; F114-A116 VanDerWaalsContact O-N 3.17Å |
| 117 | G | 95.2 | Very high | 95.3 | Very high | 34 Ų | 34 | 40 Ų | 40 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | trans | 103.1 | 178.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F114 K122 | F114-G117 PolarHBondContact O-N 3.3Å; G117-K122 WeakPolarHBondContact O-CD 3.38Å; G117-K122 WeakPolarHBondContact O-CE 3.31Å; G117-K122 PolarHBondContact O-NZ 3.07Å | ||
| 118 | I | 97.1 | Very high | 95.3 | Very high | 42 Ų | 42 | 37 Ų | 37 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | trans | -111.3 | 128.7 | -166.6 | -54.2 | 164.2 | 0 | 0 | 0 | 111.3 | F114 V123 L161 W164 | F114-I118 HydrophobicContact CD1-CB 4.31Å; F114-I118 HydrophobicContact CD1-CG1 3.92Å; F114-I118 HydrophobicContact CD1-CG2 4.26Å; F114-I118 HydrophobicContact CE1-CG2 4.06Å; I118-V123 HydrophobicContact CG2-CG2 4.31Å; I118-L161 HydrophobicContact CD1-CD2 3.81Å; I118-L161 HydrophobicContact CG1-CD2 3.95Å; I118-L161 HydrophobicContact CG2-CD2 3.71Å; I118-W164 HydrophobicContact CB-CD2 4.15Å; I118-W164 HydrophobicContact CB-CG 4.02Å; I118-W164 HydrophobicContact CD1-CB 3.73Å; I118-W164 HydrophobicContact CD1-CG 3.93Å; I118-W164 HydrophobicContact CG2-CB 4.46Å; I118-W164 HydrophobicContact CG2-CD2 3.4Å; I118-W164 VanDerWaalsContact CG2-CD2 3.4Å; I118-W164 VanDerWaalsContact CG2-CE2 3.5Å; I118-W164 HydrophobicContact CG2-CE3 3.76Å; I118-W164 HydrophobicContact CG2-CG 3.73Å; I118-W164 HydrophobicContact CG2-CH2 4.28Å; I118-W164 HydrophobicContact CG2-CZ2 3.96Å; I118-W164 HydrophobicContact CG2-CZ3 4.19Å; I118-W164 PolarHBondContact O-NE1 2.99Å | ||
| 119 | T | 95.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 34.7 Ų | 34.7 | 44% | 0.442 | 23% | 0.227 | S | C | . | . | trans | -138.9 | 157.7 | 173 | 66.2 | 0 | 0 | 0 | 0 | 110 | G121 K122 V123 | T119-G121 VanDerWaalsContact C-N 3.26Å; T119-G121 PolarHBondContact O-N 3.45Å; T119-K122 WeakPolarHBondContact O-CB 3.33Å; T119-K122 PolarHBondContact O-N 2.87Å; T119-K122 WeakPolarHBondContact OG1-CG 3.38Å; T119-K122 PolarHBondContact OG1-N 3.43Å; T119-V123 PolarHBondContact O-N 2.91Å | ||
| 120 | W | 95.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.5 | -38.8 | 175.9 | -82.1 | 120 | 0 | 0 | 0 | 112.8 | K122 V123 V124 W164 L165 W171 D173 V174 C177 | W120-K122 VanDerWaalsContact C-N 3.29Å; W120-K122 PolarHBondContact O-N 3.45Å; W120-V123 HydrophobicContact CE3-CB 4.02Å; W120-V123 HydrophobicContact CE3-CG1 4.11Å; W120-V123 HydrophobicContact CE3-CG2 4.36Å; W120-V123 HydrophobicContact CZ3-CB 4.35Å; W120-V123 HydrophobicContact CZ3-CG1 3.96Å; W120-V123 PolarHBondContact O-N 3.45Å; W120-V123 VanDerWaalsContact O-N 3.13Å; W120-V124 WeakPolarHBondContact O-CG2 3.48Å; W120-V124 PolarHBondContact O-N 3.41Å; W120-W164 AromaticContact CD1-CH2 3.95Å; W120-W164 AromaticContact CD2-CH2 3.73Å; W120-W164 HydrophobicContact CD2-CH2 3.73Å; W120-W164 HydrophobicContact CD2-CZ3 4.19Å; W120-W164 AromaticContact CE2-CH2 3.6Å; W120-W164 AromaticContact CE2-CZ3 3.95Å; W120-W164 HydrophobicContact CE3-CH2 4.31Å; W120-W164 HydrophobicContact CE3-CZ3 4.4Å; W120-W164 AromaticContact CG-CH2 3.94Å; W120-W164 HydrophobicContact CG-CH2 3.94Å; W120-W164 HydrophobicContact CH2-CZ3 4.14Å; W120-W164 HydrophobicContact CZ2-CH2 4.05Å; W120-W164 AromaticContact CZ2-CZ3 3.92Å; W120-W164 HydrophobicContact CZ2-CZ3 3.92Å; W120-W164 HydrophobicContact CZ3-CZ3 4.38Å; W120-W164 AromaticContact NE1-CH2 3.75Å; W120-L165 HydrophobicContact CH2-CD2 3.54Å; W120-L165 HydrophobicContact CZ2-CD2 4.17Å; W120-L165 HydrophobicContact CZ3-CD2 4.24Å; W120-W171 AromaticContact CH2-CE3 3.97Å; W120-W171 HydrophobicContact CH2-CE3 3.97Å; W120-W171 HydrophobicContact CH2-CZ3 4.37Å; W120-W171 AromaticContact CZ3-CE3 3.89Å; W120-W171 HydrophobicContact CZ3-CE3 3.89Å; W120-W171 AromaticContact CZ3-CZ3 3.91Å; W120-W171 HydrophobicContact CZ3-CZ3 3.91Å; W120-D173 HydrophobicContact CZ2-CB 3.94Å; W120-D173 PolarHBondContact NE1-OD2 3.1Å; W120-V174 HydrophobicContact CB-CG2 4.38Å; W120-V174 HydrophobicContact CD2-CB 3.69Å; W120-V174 HydrophobicContact CD2-CG2 3.64Å; W120-V174 HydrophobicContact CE3-CB 3.62Å; W120-V174 HydrophobicContact CE3-CG2 3.47Å; W120-V174 VanDerWaalsContact CE3-CG2 3.47Å; W120-V174 HydrophobicContact CG-CB 4.41Å; W120-V174 HydrophobicContact CG-CG2 4.06Å; W120-V174 HydrophobicContact CH2-CB 3.89Å; W120-V174 HydrophobicContact CZ2-CB 3.94Å; W120-V174 HydrophobicContact CZ3-CB 3.72Å; W120-V174 HydrophobicContact CZ3-CG2 4.01Å; W120-C177 VanDerWaalsContact CG-SG 3.59Å |
| 121 | G | 94.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 37% | 0.371 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.7 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T119 V124 S125 | T119-G121 VanDerWaalsContact C-N 3.26Å; T119-G121 PolarHBondContact O-N 3.45Å; G121-V124 PolarHBondContact O-N 3.36Å; G121-S125 PolarHBondContact O-N 2.93Å; G121-S125 PolarHBondContact O-OG 2.89Å |
| 122 | K | 95.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70 | -36.4 | 175.8 | -70.8 | 176.9 | 175.2 | -156.7 | 0 | 113 | I113 F114 G117 T119 W120 S125 L126 | I113-K122 HydrophobicContact CG2-CB 3.63Å; I113-K122 HydrophobicContact CG2-CD 4.34Å; I113-K122 HydrophobicContact CG2-CG 3.87Å; I113-K122 VanDerWaalsContact O-CD 3.25Å; I113-K122 WeakPolarHBondContact O-CD 3.49Å; I113-K122 WeakPolarHBondContact O-CE 3.44Å; I113-K122 PolarHBondContact O-NZ 3.28Å; F114-K122 HydrophobicContact CD1-CB 4.11Å; F114-K122 HydrophobicContact CD1-CD 4.35Å; F114-K122 HydrophobicContact CE1-CB 3.59Å; F114-K122 HydrophobicContact CZ-CB 4.06Å; F114-K122 WeakPolarHBondContact CZ-O 3.47Å; G117-K122 WeakPolarHBondContact O-CD 3.38Å; G117-K122 WeakPolarHBondContact O-CE 3.31Å; G117-K122 PolarHBondContact O-NZ 3.07Å; T119-K122 WeakPolarHBondContact O-CB 3.33Å; T119-K122 PolarHBondContact O-N 2.87Å; T119-K122 WeakPolarHBondContact OG1-CG 3.38Å; T119-K122 PolarHBondContact OG1-N 3.43Å; W120-K122 VanDerWaalsContact C-N 3.29Å; W120-K122 PolarHBondContact O-N 3.45Å; K122-S125 WeakPolarHBondContact O-CB 3.18Å; K122-S125 PolarHBondContact O-N 3.46Å; K122-L126 PolarHBondContact O-N 3.49Å |
| 123 | V | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 110 | F114 I118 T119 W120 S125 L126 Y127 L161 W164 W171 | F114-V123 HydrophobicContact CE1-CG2 4.19Å; F114-V123 HydrophobicContact CZ-CG2 4.3Å; I118-V123 HydrophobicContact CG2-CG2 4.31Å; T119-V123 PolarHBondContact O-N 2.91Å; W120-V123 HydrophobicContact CE3-CB 4.02Å; W120-V123 HydrophobicContact CE3-CG1 4.11Å; W120-V123 HydrophobicContact CE3-CG2 4.36Å; W120-V123 HydrophobicContact CZ3-CB 4.35Å; W120-V123 HydrophobicContact CZ3-CG1 3.96Å; W120-V123 PolarHBondContact O-N 3.45Å; W120-V123 VanDerWaalsContact O-N 3.13Å; V123-S125 VanDerWaalsContact C-N 3.32Å; V123-S125 PolarHBondContact O-N 3.06Å; V123-L126 WeakPolarHBondContact O-CB 3.18Å; V123-L126 PolarHBondContact O-N 3.46Å; V123-L126 VanDerWaalsContact O-N 3.16Å; V123-Y127 HydrophobicContact CG1-CD2 4.26Å; V123-Y127 HydrophobicContact CG1-CE2 4.06Å; V123-Y127 VanDerWaalsContact O-CD2 3.29Å; V123-Y127 WeakPolarHBondContact O-CD2 3.38Å; V123-Y127 PolarHBondContact O-N 2.92Å; V123-L161 HydrophobicContact CG2-CD1 4.27Å; V123-W164 HydrophobicContact CG2-CZ3 4.17Å; V123-W171 HydrophobicContact CG1-CH2 4.03Å; V123-W171 HydrophobicContact CG1-CZ3 3.81Å |
| 124 | V | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | L70 L73 G74 L77 W120 G121 L126 Y127 A128 | L70-V124 HydrophobicContact CD2-CG2 3.69Å; L73-V124 HydrophobicContact CB-CB 4.41Å; L73-V124 HydrophobicContact CB-CG1 3.81Å; L73-V124 HydrophobicContact CB-CG2 3.86Å; L73-V124 HydrophobicContact CD1-CG2 3.88Å; G74-V124 VanDerWaalsContact N-CG1 3.34Å; L77-V124 HydrophobicContact CD1-CB 3.93Å; L77-V124 HydrophobicContact CD1-CG1 3.64Å; W120-V124 WeakPolarHBondContact O-CG2 3.48Å; W120-V124 PolarHBondContact O-N 3.41Å; G121-V124 PolarHBondContact O-N 3.36Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 2.95Å; V124-Y127 PolarHBondContact O-N 3.45Å; V124-A128 PolarHBondContact O-N 2.87Å |
| 125 | S | 95.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.7 | -42 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | Y85 G121 K122 V123 Y127 A128 V129 | Y85-S125 WeakPolarHBondContact OH-CB 3.11Å; Y85-S125 PolarHBondContact OH-OG 3.48Å; G121-S125 PolarHBondContact O-N 2.93Å; G121-S125 PolarHBondContact O-OG 2.89Å; K122-S125 WeakPolarHBondContact O-CB 3.18Å; K122-S125 PolarHBondContact O-N 3.46Å; V123-S125 VanDerWaalsContact C-N 3.32Å; V123-S125 PolarHBondContact O-N 3.06Å; S125-Y127 PolarHBondContact O-N 2.9Å; S125-A128 PolarHBondContact O-N 3.46Å; S125-V129 VanDerWaalsContact O-CG2 3.29Å; S125-V129 WeakPolarHBondContact O-CG2 3.4Å; S125-V129 PolarHBondContact O-N 3.27Å |
| 126 | L | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 177.8 | -176.9 | 68 | 0 | 0 | 0 | 111.9 | F106 A110 F114 K122 V123 V124 V129 A130 L153 F156 L161 | F106-L126 HydrophobicContact CE1-CD1 4.37Å; F106-L126 HydrophobicContact CE2-CD1 3.61Å; F106-L126 HydrophobicContact CE2-CG 4.3Å; F106-L126 HydrophobicContact CZ-CD1 3.42Å; F106-L126 VanDerWaalsContact CZ-CD1 3.42Å; F106-L126 HydrophobicContact CZ-CG 3.97Å; A110-L126 HydrophobicContact CB-CD1 3.44Å; A110-L126 VanDerWaalsContact CB-CD1 3.44Å; F114-L126 HydrophobicContact CE2-CB 4.04Å; F114-L126 HydrophobicContact CE2-CD1 4.24Å; F114-L126 HydrophobicContact CE2-CD2 3.94Å; F114-L126 HydrophobicContact CE2-CG 4.3Å; F114-L126 HydrophobicContact CZ-CB 4.21Å; F114-L126 HydrophobicContact CZ-CD2 4.29Å; K122-L126 PolarHBondContact O-N 3.49Å; V123-L126 WeakPolarHBondContact O-CB 3.18Å; V123-L126 PolarHBondContact O-N 3.46Å; V123-L126 VanDerWaalsContact O-N 3.16Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 2.95Å; L126-V129 PolarHBondContact O-N 3.48Å; L126-A130 PolarHBondContact O-N 3.46Å; L126-L153 HydrophobicContact CD2-CD1 3.48Å; L126-L153 VanDerWaalsContact CD2-CD1 3.48Å; L126-L153 HydrophobicContact CG-CD1 3.65Å; L126-F156 HydrophobicContact CD2-CD1 3.67Å; L126-F156 HydrophobicContact CD2-CE1 4.05Å; L126-L161 HydrophobicContact CD2-CD1 4.12Å |
| 127 | Y | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 177.1 | -81.5 | -108.8 | 0 | 0 | 0 | 111.8 | A31 L34 Y38 L70 V123 V124 S125 A130 A131 L153 W171 | A31-Y127 WeakPolarHBondContact CA-OH 3.39Å; A31-Y127 PolarHBondContact O-OH 3.35Å; A31-Y127 VanDerWaalsContact O-OH 3.06Å; L34-Y127 HydrophobicContact CB-CE1 3.87Å; Y38-Y127 HydrophobicContact CD2-CD1 4.4Å; Y38-Y127 HydrophobicContact CG-CD1 4.26Å; L70-Y127 HydrophobicContact CD1-CD1 4.44Å; L70-Y127 HydrophobicContact CD1-CE1 4.37Å; V123-Y127 HydrophobicContact CG1-CD2 4.26Å; V123-Y127 HydrophobicContact CG1-CE2 4.06Å; V123-Y127 VanDerWaalsContact O-CD2 3.29Å; V123-Y127 WeakPolarHBondContact O-CD2 3.38Å; V123-Y127 PolarHBondContact O-N 2.92Å; V124-Y127 PolarHBondContact O-N 3.45Å; S125-Y127 PolarHBondContact O-N 2.9Å; Y127-A130 PolarHBondContact O-N 3.45Å; Y127-A131 WeakPolarHBondContact O-CB 3.39Å; Y127-A131 PolarHBondContact O-N 2.9Å; Y127-L153 HydrophobicContact CD1-CD2 4.1Å; Y127-L153 HydrophobicContact CD2-CD1 4.28Å; Y127-L153 HydrophobicContact CE1-CD2 3.79Å; Y127-L153 HydrophobicContact CE2-CD1 4.08Å; Y127-L153 HydrophobicContact CE2-CD2 4.32Å; Y127-L153 HydrophobicContact CG-CD2 4.48Å; Y127-W171 AromaticContact CE2-CH2 3.72Å; Y127-W171 HydrophobicContact CE2-CH2 3.72Å; Y127-W171 HydrophobicContact CE2-CZ3 4.02Å; Y127-W171 AromaticContact CZ-CH2 3.74Å; Y127-W171 WeakPolarHBondContact OH-CH2 3.22Å |
| 128 | A | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 4% | 0.041 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y85 V124 S125 A131 G132 | Y85-A128 HydrophobicContact CD1-CB 3.6Å; Y85-A128 HydrophobicContact CE1-CB 3.91Å; Y85-A128 HydrophobicContact CG-CB 4.41Å; V124-A128 PolarHBondContact O-N 2.87Å; S125-A128 PolarHBondContact O-N 3.46Å; A128-A131 PolarHBondContact O-N 2.78Å; A128-G132 PolarHBondContact O-N 2.85Å |
| 129 | V | 93.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.8 | -47.5 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | Y85 V88 F106 V109 I113 S125 L126 A131 G132 L133 | Y85-V129 HydrophobicContact CD1-CG2 4.27Å; Y85-V129 HydrophobicContact CE1-CG2 4.36Å; V88-V129 HydrophobicContact CG1-CG1 4.21Å; F106-V129 HydrophobicContact CD2-CG1 4.05Å; F106-V129 HydrophobicContact CE2-CG1 4.38Å; V109-V129 HydrophobicContact CB-CG1 4.48Å; V109-V129 HydrophobicContact CG1-CG1 3.94Å; V109-V129 HydrophobicContact CG1-CG2 4.19Å; I113-V129 HydrophobicContact CD1-CG2 4.33Å; S125-V129 VanDerWaalsContact O-CG2 3.29Å; S125-V129 WeakPolarHBondContact O-CG2 3.4Å; S125-V129 PolarHBondContact O-N 3.27Å; L126-V129 PolarHBondContact O-N 3.48Å; V129-A131 VanDerWaalsContact C-N 3.29Å; V129-A131 PolarHBondContact O-N 3.29Å; V129-G132 PolarHBondContact O-N 2.99Å; V129-L133 HydrophobicContact CG1-CD1 4.28Å; V129-L133 PolarHBondContact O-N 2.95Å |
| 130 | A | 95.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F106 L126 Y127 L133 A134 | F106-A130 HydrophobicContact CD2-CB 4.36Å; F106-A130 HydrophobicContact CE2-CB 3.67Å; F106-A130 HydrophobicContact CZ-CB 4.12Å; L126-A130 PolarHBondContact O-N 3.46Å; Y127-A130 PolarHBondContact O-N 3.45Å; A130-L133 PolarHBondContact O-N 3.25Å; A130-A134 WeakPolarHBondContact O-CB 3.4Å; A130-A134 PolarHBondContact O-N 3.47Å |
| 131 | A | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.1 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y38 V39 R42 Y127 A128 V129 A134 V135 | Y38-A131 HydrophobicContact CD1-CB 3.69Å; Y38-A131 HydrophobicContact CE1-CB 3.72Å; V39-A131 HydrophobicContact CG2-CB 4.07Å; R42-A131 HydrophobicContact CB-CB 4.03Å; R42-A131 HydrophobicContact CG-CB 3.84Å; Y127-A131 WeakPolarHBondContact O-CB 3.39Å; Y127-A131 PolarHBondContact O-N 2.9Å; A128-A131 PolarHBondContact O-N 2.78Å; V129-A131 VanDerWaalsContact C-N 3.29Å; V129-A131 PolarHBondContact O-N 3.29Å; A131-A134 PolarHBondContact O-N 2.92Å; A131-V135 VanDerWaalsContact O-CG2 3.25Å; A131-V135 WeakPolarHBondContact O-CG2 3.5Å; A131-V135 PolarHBondContact O-N 3.15Å |
| 132 | G | 92.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 6% | 0.062 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A128 V129 V135 D136 | A128-G132 PolarHBondContact O-N 2.85Å; V129-G132 PolarHBondContact O-N 2.99Å; G132-V135 PolarHBondContact O-N 3.43Å; G132-D136 PolarHBondContact O-N 2.9Å |
| 133 | L | 93 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.3 | -71.8 | 173.2 | 0 | 0 | 0 | 111.8 | V88 A89 L92 I94 F106 V129 A130 V135 D136 C137 L149 | V88-L133 HydrophobicContact CB-CD2 3.98Å; V88-L133 HydrophobicContact CB-CG 4.2Å; V88-L133 HydrophobicContact CG1-CD1 4.5Å; V88-L133 HydrophobicContact CG1-CD2 3.7Å; V88-L133 HydrophobicContact CG1-CG 3.85Å; A89-L133 HydrophobicContact CB-CD2 4.37Å; L92-L133 HydrophobicContact CD1-CD2 4.42Å; I94-L133 HydrophobicContact CD1-CD2 3.98Å; F106-L133 HydrophobicContact CB-CD1 3.81Å; F106-L133 HydrophobicContact CD2-CD1 4.1Å; F106-L133 HydrophobicContact CG-CD1 4.4Å; V129-L133 HydrophobicContact CG1-CD1 4.28Å; V129-L133 PolarHBondContact O-N 2.95Å; A130-L133 PolarHBondContact O-N 3.25Å; L133-V135 VanDerWaalsContact C-N 3.34Å; L133-V135 PolarHBondContact O-N 3.48Å; L133-D136 PolarHBondContact O-N 2.75Å; L133-C137 PolarHBondContact O-N 3.49Å; L133-C137 PolarHBondContact O-SG 2.99Å; L133-L149 HydrophobicContact CB-CD1 3.79Å; L133-L149 HydrophobicContact CB-CD2 4.28Å; L133-L149 HydrophobicContact CD1-CD2 4.09Å |
| 134 | A | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V39 A130 A131 C137 V138 V146 L149 | V39-A134 HydrophobicContact CG1-CB 3.49Å; V39-A134 VanDerWaalsContact CG1-CB 3.49Å; V39-A134 HydrophobicContact CG2-CB 4.33Å; A130-A134 WeakPolarHBondContact O-CB 3.4Å; A130-A134 PolarHBondContact O-N 3.47Å; A131-A134 PolarHBondContact O-N 2.92Å; A134-C137 PolarHBondContact O-N 3.23Å; A134-V138 WeakPolarHBondContact O-CG2 3.49Å; A134-V138 PolarHBondContact O-N 2.74Å; A134-V146 HydrophobicContact CB-CG1 4.23Å; A134-V146 HydrophobicContact CB-CG2 4.03Å; A134-L149 HydrophobicContact CB-CD1 4.07Å |
| 135 | V | 93.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 174 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | R42 L43 A46 L48 A131 G132 L133 V138 R139 | R42-V135 HydrophobicContact CB-CG2 4.45Å; L43-V135 HydrophobicContact CD2-CB 4.35Å; L43-V135 HydrophobicContact CD2-CG2 3.82Å; L43-V135 HydrophobicContact CG-CG2 4.29Å; A46-V135 HydrophobicContact CB-CG1 4.2Å; L48-V135 HydrophobicContact CD1-CG1 4.02Å; A131-V135 VanDerWaalsContact O-CG2 3.25Å; A131-V135 WeakPolarHBondContact O-CG2 3.5Å; A131-V135 PolarHBondContact O-N 3.15Å; G132-V135 PolarHBondContact O-N 3.43Å; L133-V135 VanDerWaalsContact C-N 3.34Å; L133-V135 PolarHBondContact O-N 3.48Å; V135-V138 PolarHBondContact O-N 3.06Å; V135-R139 VanDerWaalsContact O-CG 3.31Å; V135-R139 WeakPolarHBondContact O-CG 3.34Å; V135-R139 PolarHBondContact O-N 2.78Å |
| 136 | D | 91.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 27.4 Ų | 27.4 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 178.1 | -68.9 | -20.3 | 0 | 0 | 0 | 111.5 | V88 A89 L96 G132 L133 R139 Q140 | V88-D136 PolarHBondContact N-OD2 3.19Å; A89-D136 HydrophobicContact CB-CB 3.95Å; A89-D136 WeakPolarHBondContact CB-OD2 3.31Å; A89-D136 PolarHBondContact N-OD2 2.94Å; L96-D136 HydrophobicContact CD1-CB 3.77Å; G132-D136 PolarHBondContact O-N 2.9Å; L133-D136 PolarHBondContact O-N 2.75Å; D136-R139 PolarHBondContact O-N 2.94Å; D136-R139 IonicContact OD1-NH1 2.78Å; D136-Q140 WeakPolarHBondContact O-CG 3.46Å; D136-Q140 PolarHBondContact O-N 2.81Å |
| 137 | C | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 175.6 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | L133 A134 R139 Q140 A141 Q142 M145 | L133-C137 PolarHBondContact O-N 3.49Å; L133-C137 PolarHBondContact O-SG 2.99Å; A134-C137 PolarHBondContact O-N 3.23Å; C137-R139 VanDerWaalsContact C-N 3.32Å; C137-R139 PolarHBondContact O-N 3.36Å; C137-Q140 CarbonylContact O-C 3.22Å; C137-Q140 PolarHBondContact O-N 2.98Å; C137-Q140 VanDerWaalsContact O-N 3.11Å; C137-A141 PolarHBondContact O-N 3.43Å; C137-Q142 HydrophobicContact CB-CB 4.41Å; C137-Q142 WeakPolarHBondContact O-CA 3.24Å; C137-Q142 PolarHBondContact O-N 2.88Å; C137-M145 HydrophobicContact CB-CB 3.83Å; C137-M145 HydrophobicContact CB-CG 4.32Å |
| 138 | V | 92.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111 | L43 L48 A134 V135 Q140 A141 P143 V146 | L43-V138 HydrophobicContact CD1-CG2 4.27Å; L43-V138 HydrophobicContact CD2-CB 3.87Å; L43-V138 HydrophobicContact CD2-CG1 4.21Å; L43-V138 HydrophobicContact CD2-CG2 3.75Å; L48-V138 HydrophobicContact CB-CG1 4.11Å; L48-V138 HydrophobicContact CD1-CB 4.34Å; L48-V138 HydrophobicContact CD1-CG1 4.11Å; L48-V138 HydrophobicContact CD2-CG1 4.4Å; L48-V138 HydrophobicContact CG-CG1 4.44Å; A134-V138 WeakPolarHBondContact O-CG2 3.49Å; A134-V138 PolarHBondContact O-N 2.74Å; V135-V138 PolarHBondContact O-N 3.06Å; V138-Q140 PolarHBondContact O-N 3.39Å; V138-A141 PolarHBondContact O-N 3.24Å; V138-A141 VanDerWaalsContact O-N 3.07Å; V138-P143 HydrophobicContact CG2-CB 4.32Å; V138-V146 HydrophobicContact CG2-CG2 3.66Å |
| 139 | R | 91.5 | Very high | 92.8 | Very high | 141 Ų | 141 | 30.4 Ų | 30.4 | 53% | 0.532 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.7 | -30.2 | 174.3 | -75.2 | 173.1 | 173.7 | 165.8 | -3.3 | 113.3 | L48 V135 D136 C137 A141 | L48-R139 HydrophobicContact CD1-CG 3.78Å; L48-R139 HydrophobicContact CD2-CG 4.37Å; V135-R139 VanDerWaalsContact O-CG 3.31Å; V135-R139 WeakPolarHBondContact O-CG 3.34Å; V135-R139 PolarHBondContact O-N 2.78Å; D136-R139 PolarHBondContact O-N 2.94Å; D136-R139 IonicContact OD1-NH1 2.78Å; C137-R139 VanDerWaalsContact C-N 3.32Å; C137-R139 PolarHBondContact O-N 3.36Å; R139-A141 VanDerWaalsContact C-N 3.27Å |
| 140 | Q | 90.9 | Very high | 93 | Very high | 93 Ų | 93 | 30.4 Ų | 30.4 | 44% | 0.435 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 18.5 | 176.8 | -65.1 | -173.8 | 32.1 | 0 | 0 | 113 | L96 D136 C137 V138 Q142 | L96-Q140 HydrophobicContact CD1-CG 4.33Å; L96-Q140 VanDerWaalsContact CD1-NE2 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.46Å; D136-Q140 PolarHBondContact O-N 2.81Å; C137-Q140 CarbonylContact O-C 3.22Å; C137-Q140 PolarHBondContact O-N 2.98Å; C137-Q140 VanDerWaalsContact O-N 3.11Å; V138-Q140 PolarHBondContact O-N 3.39Å; Q140-Q142 PolarHBondContact O-N 3.5Å |
| 141 | A | 90.1 | Very high | 93 | Very high | 80 Ų | 80 | 33.6 Ų | 33.6 | 66% | 0.661 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 31.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | C137 V138 R139 P143 | C137-A141 PolarHBondContact O-N 3.43Å; V138-A141 PolarHBondContact O-N 3.24Å; V138-A141 VanDerWaalsContact O-N 3.07Å; R139-A141 VanDerWaalsContact C-N 3.27Å; A141-P143 WeakPolarHBondContact O-CD 3.45Å |
| 142 | Q | 91.6 | Very high | 93.1 | Very high | 54 Ų | 54 | 34.3 Ų | 34.3 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | trans | -115.1 | 56.1 | 176.4 | -65.3 | -67.7 | -10.8 | 0 | 0 | 112.1 | C137 Q140 A144 M145 | C137-Q142 HydrophobicContact CB-CB 4.41Å; C137-Q142 WeakPolarHBondContact O-CA 3.24Å; C137-Q142 PolarHBondContact O-N 2.88Å; Q140-Q142 PolarHBondContact O-N 3.5Å; Q142-A144 PolarHBondContact O-N 2.97Å; Q142-M145 HydrophobicContact CB-CG 3.91Å; Q142-M145 WeakPolarHBondContact O-CB 3.01Å; Q142-M145 PolarHBondContact O-N 3.24Å | ||
| 143 | P | 90.9 | Very high | 93.3 | Very high | 62 Ų | 62 | 34.1 Ų | 34.1 | 40% | 0.403 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.4 | -177.4 | 29.2 | -36.3 | 0 | 0 | 0 | 113.7 | V138 A141 M145 V146 | V138-P143 HydrophobicContact CG2-CB 4.32Å; A141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-M145 PolarHBondContact O-N 2.86Å; P143-V146 WeakPolarHBondContact O-CB 3.44Å; P143-V146 WeakPolarHBondContact O-CG2 3.27Å; P143-V146 PolarHBondContact O-N 2.99Å; P143-V146 VanDerWaalsContact O-N 3.15Å |
| 144 | A | 91.2 | Very high | 93.5 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 55% | 0.545 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.2 | -33.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q142 V146 H147 | Q142-A144 PolarHBondContact O-N 2.97Å; A144-V146 PolarHBondContact O-N 2.96Å; A144-V146 VanDerWaalsContact O-N 3.14Å; A144-H147 PolarHBondContact O-N 3.1Å; A144-H147 VanDerWaalsContact O-N 3.14Å |
| 145 | M | 91.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -24.3 | 178.6 | -61.3 | -59.9 | 174.8 | 0 | 0 | 113.1 | E99 C137 Q142 P143 H147 A148 L149 | E99-M145 WeakPolarHBondContact CA-SD 3.23Å; E99-M145 HydrophobicContact CB-CE 3.96Å; E99-M145 HydrophobicContact CB-SD 3.6Å; E99-M145 HydrophobicContact CG-SD 3.94Å; C137-M145 HydrophobicContact CB-CB 3.83Å; C137-M145 HydrophobicContact CB-CG 4.32Å; Q142-M145 HydrophobicContact CB-CG 3.91Å; Q142-M145 WeakPolarHBondContact O-CB 3.01Å; Q142-M145 PolarHBondContact O-N 3.24Å; P143-M145 PolarHBondContact O-N 2.86Å; M145-H147 VanDerWaalsContact C-N 3.26Å; M145-H147 PolarHBondContact O-N 3.32Å; M145-A148 PolarHBondContact O-N 2.85Å; M145-L149 WeakPolarHBondContact O-CB 3.41Å; M145-L149 WeakPolarHBondContact O-CG 3.46Å; M145-L149 PolarHBondContact O-N 3.25Å |
| 146 | V | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -38.4 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | V39 W50 A134 V138 P143 A144 L149 V150 | V39-V146 HydrophobicContact CG1-CG1 3.66Å; W50-V146 HydrophobicContact CD2-CB 4.44Å; W50-V146 HydrophobicContact CD2-CG1 3.89Å; W50-V146 HydrophobicContact CE3-CG1 4.1Å; W50-V146 HydrophobicContact CH2-CG1 3.7Å; W50-V146 HydrophobicContact CZ2-CB 3.97Å; W50-V146 HydrophobicContact CZ2-CG1 3.43Å; W50-V146 VanDerWaalsContact CZ2-CG1 3.43Å; W50-V146 HydrophobicContact CZ3-CG1 4.03Å; A134-V146 HydrophobicContact CB-CG1 4.23Å; A134-V146 HydrophobicContact CB-CG2 4.03Å; V138-V146 HydrophobicContact CG2-CG2 3.66Å; P143-V146 WeakPolarHBondContact O-CB 3.44Å; P143-V146 WeakPolarHBondContact O-CG2 3.27Å; P143-V146 PolarHBondContact O-N 2.99Å; P143-V146 VanDerWaalsContact O-N 3.15Å; A144-V146 PolarHBondContact O-N 2.96Å; A144-V146 VanDerWaalsContact O-N 3.14Å; V146-L149 PolarHBondContact O-N 3.37Å; V146-V150 WeakPolarHBondContact O-CG2 3.43Å; V146-V150 PolarHBondContact O-N 3.22Å; V146-V150 VanDerWaalsContact O-N 3.1Å |
| 147 | H | 93.6 | Very high | 94.2 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.9 | -49.7 | 176.3 | -71.2 | -70.3 | 0 | 0 | 0 | 111.7 | W50 P53 A144 M145 L149 V150 D151 | W50-H147 AromaticContact CE2-NE2 3.93Å; W50-H147 AromaticContact CZ2-CE1 3.44Å; W50-H147 VanDerWaalsContact CZ2-CE1 3.44Å; W50-H147 WeakPolarHBondContact CZ2-CE1 2.95Å; W50-H147 AromaticContact CZ2-ND1 3.92Å; W50-H147 AromaticContact CZ2-NE2 3.57Å; W50-H147 AromaticContact NE1-NE2 3.7Å; P53-H147 WeakPolarHBondContact CD-CE1 3.38Å; P53-H147 VanDerWaalsContact CD-NE2 3.27Å; P53-H147 WeakPolarHBondContact CD-NE2 3.44Å; P53-H147 WeakPolarHBondContact CG-CE1 3.46Å; P53-H147 WeakPolarHBondContact CG-NE2 3.49Å; A144-H147 PolarHBondContact O-N 3.1Å; A144-H147 VanDerWaalsContact O-N 3.14Å; M145-H147 VanDerWaalsContact C-N 3.26Å; M145-H147 PolarHBondContact O-N 3.32Å; H147-L149 VanDerWaalsContact C-N 3.29Å; H147-L149 PolarHBondContact O-N 3.04Å; H147-V150 PolarHBondContact O-N 3.24Å; H147-V150 VanDerWaalsContact O-N 3.16Å; H147-D151 PolarHBondContact O-N 2.92Å |
| 148 | A | 94.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | E99 T103 M145 D151 C152 | E99-A148 HydrophobicContact CG-CB 3.5Å; E99-A148 VanDerWaalsContact CG-CB 3.5Å; E99-A148 WeakPolarHBondContact OE1-CB 3.48Å; T103-A148 HydrophobicContact CG2-CB 4.06Å; M145-A148 PolarHBondContact O-N 2.85Å; A148-D151 PolarHBondContact O-N 3.31Å; A148-C152 WeakPolarHBondContact O-CB 3.16Å; A148-C152 PolarHBondContact O-N 2.81Å |
| 149 | L | 95.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.1 | -79 | 169.5 | 0 | 0 | 0 | 112.8 | V102 F106 L133 A134 M145 V146 H147 C152 L153 | V102-L149 HydrophobicContact CG1-CD1 4.28Å; V102-L149 HydrophobicContact CG1-CD2 3.94Å; V102-L149 HydrophobicContact CG1-CG 4.21Å; F106-L149 HydrophobicContact CB-CD2 4.03Å; F106-L149 HydrophobicContact CG-CD2 4.14Å; L133-L149 HydrophobicContact CB-CD1 3.79Å; L133-L149 HydrophobicContact CB-CD2 4.28Å; L133-L149 HydrophobicContact CD1-CD2 4.09Å; A134-L149 HydrophobicContact CB-CD1 4.07Å; M145-L149 WeakPolarHBondContact O-CB 3.41Å; M145-L149 WeakPolarHBondContact O-CG 3.46Å; M145-L149 PolarHBondContact O-N 3.25Å; V146-L149 PolarHBondContact O-N 3.37Å; H147-L149 VanDerWaalsContact C-N 3.29Å; H147-L149 PolarHBondContact O-N 3.04Å; L149-C152 PolarHBondContact O-N 2.88Å; L149-L153 WeakPolarHBondContact O-CB 3.26Å; L149-L153 PolarHBondContact O-N 3.36Å |
| 150 | V | 96 | Very high | 94.9 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 176.9 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | K32 R36 V146 H147 L153 G154 | K32-V150 HydrophobicContact CB-CG1 4.18Å; K32-V150 HydrophobicContact CG-CG1 4.45Å; R36-V150 HydrophobicContact CG-CG1 3.76Å; R36-V150 HydrophobicContact CG-CG2 4.18Å; V146-V150 WeakPolarHBondContact O-CG2 3.43Å; V146-V150 PolarHBondContact O-N 3.22Å; V146-V150 VanDerWaalsContact O-N 3.1Å; H147-V150 PolarHBondContact O-N 3.24Å; H147-V150 VanDerWaalsContact O-N 3.16Å; V150-L153 WeakPolarHBondContact O-CB 3.4Å; V150-L153 PolarHBondContact O-N 3.12Å; V150-G154 PolarHBondContact O-N 3.24Å |
| 151 | D | 95.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 40.2 Ų | 40.2 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 176.7 | -77.4 | -38.5 | 0 | 0 | 0 | 111.7 | K32 H147 A148 G154 E155 | K32-D151 WeakPolarHBondContact CE-OD1 3.41Å; K32-D151 IonicContact NZ-OD1 3.28Å; K32-D151 PolarHBondContact NZ-OD1 3.35Å; H147-D151 PolarHBondContact O-N 2.92Å; A148-D151 PolarHBondContact O-N 3.31Å; D151-G154 PolarHBondContact O-N 3.07Å; D151-E155 WeakPolarHBondContact O-CB 3.38Å; D151-E155 PolarHBondContact O-N 3.33Å |
| 152 | C | 97.1 | Very high | 95.5 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 11% | 0.108 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.3 | -164.7 | 0 | 0 | 0 | 0 | 111.8 | T103 F106 L107 A148 L149 E155 F156 | T103-C152 HydrophobicContact CG2-CB 4.2Å; F106-C152 HydrophobicContact CD1-CB 4.17Å; F106-C152 HydrophobicContact CE1-CB 4.35Å; L107-C152 VanDerWaalsContact CD2-SG 3.59Å; L107-C152 WeakPolarHBondContact CG-SG 3.16Å; A148-C152 WeakPolarHBondContact O-CB 3.16Å; A148-C152 PolarHBondContact O-N 2.81Å; L149-C152 PolarHBondContact O-N 2.88Å; C152-E155 PolarHBondContact O-N 3.31Å; C152-F156 WeakPolarHBondContact O-CB 3.29Å; C152-F156 PolarHBondContact O-N 3.07Å |
| 153 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 172.2 | 173.6 | 68.2 | 0 | 0 | 0 | 111.5 | F106 L126 Y127 L149 V150 E155 F156 V157 | F106-L153 HydrophobicContact CE1-CB 4.31Å; F106-L153 HydrophobicContact CZ-CB 4.18Å; F106-L153 HydrophobicContact CZ-CD1 4.03Å; L126-L153 HydrophobicContact CD2-CD1 3.48Å; L126-L153 VanDerWaalsContact CD2-CD1 3.48Å; L126-L153 HydrophobicContact CG-CD1 3.65Å; Y127-L153 HydrophobicContact CD1-CD2 4.1Å; Y127-L153 HydrophobicContact CD2-CD1 4.28Å; Y127-L153 HydrophobicContact CE1-CD2 3.79Å; Y127-L153 HydrophobicContact CE2-CD1 4.08Å; Y127-L153 HydrophobicContact CE2-CD2 4.32Å; Y127-L153 HydrophobicContact CG-CD2 4.48Å; L149-L153 WeakPolarHBondContact O-CB 3.26Å; L149-L153 PolarHBondContact O-N 3.36Å; V150-L153 WeakPolarHBondContact O-CB 3.4Å; V150-L153 PolarHBondContact O-N 3.12Å; L153-E155 VanDerWaalsContact C-N 3.32Å; L153-E155 PolarHBondContact O-N 2.85Å; L153-F156 PolarHBondContact O-N 3.27Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.45Å |
| 154 | G | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V150 D151 V157 R158 | V150-G154 PolarHBondContact O-N 3.24Å; D151-G154 PolarHBondContact O-N 3.07Å; G154-V157 PolarHBondContact O-N 3.25Å; G154-R158 PolarHBondContact O-N 3.41Å |
| 155 | E | 97.6 | Very high | 96.3 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69.1 | -38.9 | 177.5 | -176.8 | 63.5 | -179.2 | 0 | 0 | 112.3 | D151 C152 L153 V157 R158 K159 | D151-E155 WeakPolarHBondContact O-CB 3.38Å; D151-E155 PolarHBondContact O-N 3.33Å; C152-E155 PolarHBondContact O-N 3.31Å; L153-E155 VanDerWaalsContact C-N 3.32Å; L153-E155 PolarHBondContact O-N 2.85Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-R158 WeakPolarHBondContact O-CB 3.41Å; E155-R158 PolarHBondContact O-N 3.22Å; E155-R158 IonicContact OE1-CZ 2.99Å; E155-R158 IonicContact OE1-NE 2.68Å; E155-R158 PolarHBondContact OE1-NE 3.38Å; E155-R158 IonicContact OE1-NH2 3.28Å; E155-R158 PolarHBondContact OE1-NH2 3.45Å; E155-R158 IonicContact OE2-CZ 2.74Å; E155-R158 IonicContact OE2-NE 2.66Å; E155-R158 PolarHBondContact OE2-NE 2.73Å; E155-R158 IonicContact OE2-NH2 2.87Å; E155-K159 WeakPolarHBondContact O-CG 3.49Å; E155-K159 PolarHBondContact O-N 3.24Å; E155-K159 WeakPolarHBondContact OE1-CE 3.46Å; E155-K159 IonicContact OE1-NZ 3.49Å; E155-K159 PolarHBondContact OE1-NZ 3.18Å |
| 156 | F | 98.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 172.5 | -173.1 | -89.4 | 0 | 0 | 0 | 111.2 | L107 A110 F114 L126 C152 L153 R158 K159 T160 L161 | L107-F156 HydrophobicContact CD2-CB 4.22Å; L107-F156 HydrophobicContact CD2-CD2 3.82Å; L107-F156 HydrophobicContact CD2-CG 4.46Å; A110-F156 HydrophobicContact CB-CD1 4.49Å; A110-F156 HydrophobicContact CB-CD2 3.87Å; A110-F156 HydrophobicContact CB-CE1 4.22Å; A110-F156 HydrophobicContact CB-CE2 3.54Å; A110-F156 HydrophobicContact CB-CG 4.33Å; A110-F156 HydrophobicContact CB-CZ 3.74Å; F114-F156 AromaticContact CD2-CE1 3.47Å; F114-F156 HydrophobicContact CD2-CE1 3.47Å; F114-F156 VanDerWaalsContact CD2-CE1 3.47Å; F114-F156 AromaticContact CD2-CZ 3.5Å; F114-F156 HydrophobicContact CD2-CZ 3.5Å; F114-F156 AromaticContact CE2-CE1 3.58Å; F114-F156 HydrophobicContact CE2-CE1 3.58Å; F114-F156 HydrophobicContact CE2-CZ 4.08Å; F114-F156 HydrophobicContact CG-CE1 4.31Å; F114-F156 HydrophobicContact CG-CZ 4.26Å; F114-F156 HydrophobicContact CZ-CE1 4.46Å; L126-F156 HydrophobicContact CD2-CD1 3.67Å; L126-F156 HydrophobicContact CD2-CE1 4.05Å; C152-F156 WeakPolarHBondContact O-CB 3.29Å; C152-F156 PolarHBondContact O-N 3.07Å; L153-F156 PolarHBondContact O-N 3.27Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.97Å; F156-K159 PolarHBondContact O-N 3.1Å; F156-T160 HydrophobicContact CE1-CG2 4.1Å; F156-T160 HydrophobicContact CZ-CG2 3.93Å; F156-T160 WeakPolarHBondContact O-CB 3.49Å; F156-T160 PolarHBondContact O-N 3.15Å; F156-T160 PolarHBondContact O-OG1 2.82Å; F156-L161 HydrophobicContact CD1-CD1 4.24Å; F156-L161 HydrophobicContact CD1-CG 4.38Å; F156-L161 HydrophobicContact CE1-CD1 4.26Å; F156-L161 HydrophobicContact CE1-CG 4.21Å |
| 157 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -59.1 | -46.8 | 174.5 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | V28 A31 L153 G154 E155 K159 L161 A162 L165 W171 | V28-V157 HydrophobicContact CG2-CG1 4.39Å; A31-V157 HydrophobicContact CB-CB 4.07Å; A31-V157 HydrophobicContact CB-CG1 3.84Å; A31-V157 HydrophobicContact CB-CG2 3.9Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.45Å; G154-V157 PolarHBondContact O-N 3.25Å; E155-V157 VanDerWaalsContact C-N 3.33Å; V157-K159 PolarHBondContact O-N 3.31Å; V157-L161 HydrophobicContact CB-CB 4.49Å; V157-L161 HydrophobicContact CG1-CB 4.3Å; V157-L161 HydrophobicContact CG2-CD1 3.91Å; V157-L161 CarbonylContact O-C 3.49Å; V157-L161 WeakPolarHBondContact O-CA 3.37Å; V157-L161 PolarHBondContact O-N 2.81Å; V157-A162 PolarHBondContact O-N 3.25Å; V157-L165 HydrophobicContact CG1-CD1 3.83Å; V157-W171 HydrophobicContact CG1-CZ2 4.17Å; V157-W171 HydrophobicContact CG2-CZ2 4.32Å |
| 158 | R | 97.2 | Very high | 96.4 | Very high | 119 Ų | 119 | 50.6 Ų | 50.6 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -56.7 | -47.6 | 178.6 | -168.9 | -171.6 | 65.6 | 73.9 | -5 | 112.2 | V28 G154 E155 F156 A162 | V28-R158 HydrophobicContact CG2-CB 3.53Å; V28-R158 HydrophobicContact CG2-CG 3.9Å; G154-R158 PolarHBondContact O-N 3.41Å; E155-R158 WeakPolarHBondContact O-CB 3.41Å; E155-R158 PolarHBondContact O-N 3.22Å; E155-R158 IonicContact OE1-CZ 2.99Å; E155-R158 IonicContact OE1-NE 2.68Å; E155-R158 PolarHBondContact OE1-NE 3.38Å; E155-R158 IonicContact OE1-NH2 3.28Å; E155-R158 PolarHBondContact OE1-NH2 3.45Å; E155-R158 IonicContact OE2-CZ 2.74Å; E155-R158 IonicContact OE2-NE 2.66Å; E155-R158 PolarHBondContact OE2-NE 2.73Å; E155-R158 IonicContact OE2-NH2 2.87Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.97Å; R158-A162 WeakPolarHBondContact O-CB 3.46Å |
| 159 | K | 97 | Very high | 96.2 | Very high | 142 Ų | 142 | 52.2 Ų | 52.2 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -75.6 | -38.8 | -175.1 | -70 | -177.5 | -174.5 | 168.9 | 0 | 113.2 | E155 F156 V157 | E155-K159 WeakPolarHBondContact O-CG 3.49Å; E155-K159 PolarHBondContact O-N 3.24Å; E155-K159 WeakPolarHBondContact OE1-CE 3.46Å; E155-K159 IonicContact OE1-NZ 3.49Å; E155-K159 PolarHBondContact OE1-NZ 3.18Å; F156-K159 PolarHBondContact O-N 3.1Å; V157-K159 PolarHBondContact O-N 3.31Å |
| 160 | T | 96.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -114.6 | -37.5 | -164.7 | -50.3 | 0 | 0 | 0 | 0 | 112.9 | F156 | F156-T160 HydrophobicContact CE1-CG2 4.1Å; F156-T160 HydrophobicContact CZ-CG2 3.93Å; F156-T160 WeakPolarHBondContact O-CB 3.49Å; F156-T160 PolarHBondContact O-N 3.15Å; F156-T160 PolarHBondContact O-OG1 2.82Å |
| 161 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -104.9 | -20.9 | -168.1 | -56.2 | 179.8 | 0 | 0 | 0 | 113.7 | F114 I118 V123 L126 F156 V157 T163 W164 L165 | F114-L161 HydrophobicContact CD1-CD2 4.08Å; F114-L161 HydrophobicContact CE1-CD2 3.79Å; F114-L161 HydrophobicContact CZ-CD1 4.19Å; F114-L161 HydrophobicContact CZ-CD2 4.14Å; I118-L161 HydrophobicContact CD1-CD2 3.81Å; I118-L161 HydrophobicContact CG1-CD2 3.95Å; I118-L161 HydrophobicContact CG2-CD2 3.71Å; V123-L161 HydrophobicContact CG2-CD1 4.27Å; L126-L161 HydrophobicContact CD2-CD1 4.12Å; F156-L161 HydrophobicContact CD1-CD1 4.24Å; F156-L161 HydrophobicContact CD1-CG 4.38Å; F156-L161 HydrophobicContact CE1-CD1 4.26Å; F156-L161 HydrophobicContact CE1-CG 4.21Å; V157-L161 HydrophobicContact CB-CB 4.49Å; V157-L161 HydrophobicContact CG1-CB 4.3Å; V157-L161 HydrophobicContact CG2-CD1 3.91Å; V157-L161 CarbonylContact O-C 3.49Å; V157-L161 WeakPolarHBondContact O-CA 3.37Å; V157-L161 PolarHBondContact O-N 2.81Å; L161-T163 PolarHBondContact O-N 3.5Å; L161-W164 PolarHBondContact O-N 2.92Å; L161-L165 HydrophobicContact CB-CD1 4.13Å; L161-L165 HydrophobicContact CB-CG 4.46Å; L161-L165 WeakPolarHBondContact O-CB 3.42Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3Å |
| 162 | A | 96.2 | Very high | 96 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.7 | -49.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D24 V157 R158 W164 L165 R166 | D24-A162 HydrophobicContact CB-CB 4.46Å; V157-A162 PolarHBondContact O-N 3.25Å; R158-A162 WeakPolarHBondContact O-CB 3.46Å; A162-W164 VanDerWaalsContact C-N 3.32Å; A162-W164 PolarHBondContact O-N 3.21Å; A162-L165 PolarHBondContact O-N 3.1Å; A162-R166 PolarHBondContact O-N 3.37Å |
| 163 | T | 95.5 | Very high | 95.8 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | L161 R167 | L161-T163 PolarHBondContact O-N 3.5Å; T163-R167 WeakPolarHBondContact O-CG 3.31Å; T163-R167 PolarHBondContact O-N 2.97Å |
| 164 | W | 97.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 51 Ų | 51 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.4 | -43.4 | 178.7 | 179.2 | 93.5 | 0 | 0 | 0 | 111.6 | I118 W120 V123 L161 A162 R167 R168 | I118-W164 HydrophobicContact CB-CD2 4.15Å; I118-W164 HydrophobicContact CB-CG 4.02Å; I118-W164 HydrophobicContact CD1-CB 3.73Å; I118-W164 HydrophobicContact CD1-CG 3.93Å; I118-W164 HydrophobicContact CG2-CB 4.46Å; I118-W164 HydrophobicContact CG2-CD2 3.4Å; I118-W164 VanDerWaalsContact CG2-CD2 3.4Å; I118-W164 VanDerWaalsContact CG2-CE2 3.5Å; I118-W164 HydrophobicContact CG2-CE3 3.76Å; I118-W164 HydrophobicContact CG2-CG 3.73Å; I118-W164 HydrophobicContact CG2-CH2 4.28Å; I118-W164 HydrophobicContact CG2-CZ2 3.96Å; I118-W164 HydrophobicContact CG2-CZ3 4.19Å; I118-W164 PolarHBondContact O-NE1 2.99Å; W120-W164 AromaticContact CD1-CH2 3.95Å; W120-W164 AromaticContact CD2-CH2 3.73Å; W120-W164 HydrophobicContact CD2-CH2 3.73Å; W120-W164 HydrophobicContact CD2-CZ3 4.19Å; W120-W164 AromaticContact CE2-CH2 3.6Å; W120-W164 AromaticContact CE2-CZ3 3.95Å; W120-W164 HydrophobicContact CE3-CH2 4.31Å; W120-W164 HydrophobicContact CE3-CZ3 4.4Å; W120-W164 AromaticContact CG-CH2 3.94Å; W120-W164 HydrophobicContact CG-CH2 3.94Å; W120-W164 HydrophobicContact CH2-CZ3 4.14Å; W120-W164 HydrophobicContact CZ2-CH2 4.05Å; W120-W164 AromaticContact CZ2-CZ3 3.92Å; W120-W164 HydrophobicContact CZ2-CZ3 3.92Å; W120-W164 HydrophobicContact CZ3-CZ3 4.38Å; W120-W164 AromaticContact NE1-CH2 3.75Å; V123-W164 HydrophobicContact CG2-CZ3 4.17Å; L161-W164 PolarHBondContact O-N 2.92Å; A162-W164 VanDerWaalsContact C-N 3.32Å; A162-W164 PolarHBondContact O-N 3.21Å; W164-R167 PolarHBondContact O-N 2.68Å; W164-R168 HydrophobicContact CD2-CG 4.15Å; W164-R168 HydrophobicContact CE3-CG 4.24Å; W164-R168 HydrophobicContact CH2-CG 4.07Å; W164-R168 HydrophobicContact CZ2-CG 3.99Å; W164-R168 HydrophobicContact CZ3-CG 4.2Å; W164-R168 WeakPolarHBondContact O-CG 3.5Å; W164-R168 PolarHBondContact O-N 3.46Å; W164-R168 VanDerWaalsContact O-N 3.12Å |
| 165 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.4 | -75.4 | 167.9 | 0 | 0 | 0 | 111.3 | L27 W120 V157 L161 A162 R167 R168 G169 G170 W171 | L27-L165 HydrophobicContact CD1-CB 3.87Å; L27-L165 HydrophobicContact CD2-CB 4.34Å; W120-L165 HydrophobicContact CH2-CD2 3.54Å; W120-L165 HydrophobicContact CZ2-CD2 4.17Å; W120-L165 HydrophobicContact CZ3-CD2 4.24Å; V157-L165 HydrophobicContact CG1-CD1 3.83Å; L161-L165 HydrophobicContact CB-CD1 4.13Å; L161-L165 HydrophobicContact CB-CG 4.46Å; L161-L165 WeakPolarHBondContact O-CB 3.42Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3Å; A162-L165 PolarHBondContact O-N 3.1Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.28Å; L165-R168 PolarHBondContact O-N 3.03Å; L165-R168 VanDerWaalsContact O-N 3.07Å; L165-G169 PolarHBondContact O-N 3.39Å; L165-G170 WeakPolarHBondContact O-CA 3.32Å; L165-G170 PolarHBondContact O-N 2.79Å; L165-W171 HydrophobicContact CD1-CD2 4.5Å; L165-W171 HydrophobicContact CD1-CH2 4.18Å; L165-W171 HydrophobicContact CD1-CZ2 3.49Å; L165-W171 VanDerWaalsContact CD1-CZ2 3.49Å; L165-W171 HydrophobicContact CD2-CD2 4.18Å; L165-W171 HydrophobicContact CD2-CE3 4.34Å; L165-W171 HydrophobicContact CD2-CH2 4.48Å; L165-W171 HydrophobicContact CD2-CZ2 4.33Å |
| 166 | R | 94.1 | Very high | 95.1 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 174.3 | -79.1 | -165.6 | -77.7 | 155 | -10.5 | 112 | D24 L27 A162 R168 G169 | D24-R166 WeakPolarHBondContact OD1-CD 3.38Å; D24-R166 IonicContact OD1-CZ 3.42Å; D24-R166 VanDerWaalsContact OD1-CZ 3.28Å; D24-R166 IonicContact OD1-NE 3.65Å; D24-R166 PolarHBondContact OD1-NE 3.26Å; D24-R166 IonicContact OD1-NH2 2.7Å; D24-R166 PolarHBondContact OD1-NH2 3.34Å; D24-R166 IonicContact OD2-CZ 3.86Å; D24-R166 IonicContact OD2-NE 3.3Å; D24-R166 IonicContact OD2-NH2 3.22Å; D24-R166 PolarHBondContact OD2-NH2 3.28Å; L27-R166 HydrophobicContact CD1-CB 4.4Å; L27-R166 HydrophobicContact CD1-CG 3.42Å; L27-R166 VanDerWaalsContact CD1-CG 3.42Å; A162-R166 PolarHBondContact O-N 3.37Å; R166-R168 PolarHBondContact O-N 3.33Å; R166-G169 PolarHBondContact O-N 2.99Å |
| 167 | R | 93.8 | Very high | 94.6 | Very high | 212 Ų | 212 | 59.2 Ų | 59.2 | 80% | 0.8 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.8 | -25.5 | 177.6 | -71.6 | 178.7 | -176.2 | -160.2 | 1.6 | 113.5 | T163 W164 L165 G169 | T163-R167 WeakPolarHBondContact O-CG 3.31Å; T163-R167 PolarHBondContact O-N 2.97Å; W164-R167 PolarHBondContact O-N 2.68Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.28Å; R167-G169 VanDerWaalsContact C-N 3.35Å |
| 168 | R | 92.9 | Very high | 93.8 | Very high | 123 Ų | 123 | 60.2 Ų | 60.2 | 46% | 0.464 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -83.5 | -8.8 | 174.8 | -68.2 | -63.9 | -175.3 | 175.3 | -4.1 | 113.5 | W164 L165 R166 D173 | W164-R168 HydrophobicContact CD2-CG 4.15Å; W164-R168 HydrophobicContact CE3-CG 4.24Å; W164-R168 HydrophobicContact CH2-CG 4.07Å; W164-R168 HydrophobicContact CZ2-CG 3.99Å; W164-R168 HydrophobicContact CZ3-CG 4.2Å; W164-R168 WeakPolarHBondContact O-CG 3.5Å; W164-R168 PolarHBondContact O-N 3.46Å; W164-R168 VanDerWaalsContact O-N 3.12Å; L165-R168 PolarHBondContact O-N 3.03Å; L165-R168 VanDerWaalsContact O-N 3.07Å; R166-R168 PolarHBondContact O-N 3.33Å; R168-D173 HydrophobicContact CB-CB 3.93Å; R168-D173 WeakPolarHBondContact CD-OD2 3.38Å; R168-D173 VanDerWaalsContact O-CB 3.31Å; R168-D173 WeakPolarHBondContact O-CB 3.3Å |
| 169 | G | 91.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 46% | 0.464 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 18.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L165 R166 R167 | L165-G169 PolarHBondContact O-N 3.39Å; R166-G169 PolarHBondContact O-N 2.99Å; R167-G169 VanDerWaalsContact C-N 3.35Å |
| 170 | G | 93.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 94.2 | -165.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L165 T172 D173 | L165-G170 WeakPolarHBondContact O-CA 3.32Å; L165-G170 PolarHBondContact O-N 2.79Å; G170-T172 VanDerWaalsContact C-N 3.29Å; G170-T172 PolarHBondContact O-N 2.88Å; G170-D173 WeakPolarHBondContact O-CB 3.39Å; G170-D173 PolarHBondContact O-N 3.05Å |
| 171 | W | 95.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -67.6 | -24.8 | -171.9 | -76 | 98.3 | 0 | 0 | 0 | 114.4 | L27 Q30 A31 L34 L63 V66 W120 V123 Y127 V157 L165 D173 V174 | L27-W171 PolarHBondContact O-NE1 3.39Å; Q30-W171 HydrophobicContact CB-CG 4.48Å; A31-W171 HydrophobicContact CB-CH2 4.35Å; A31-W171 HydrophobicContact CB-CZ2 3.49Å; A31-W171 VanDerWaalsContact CB-CZ2 3.49Å; L34-W171 HydrophobicContact CD1-CB 4.27Å; L34-W171 HydrophobicContact CD1-CD2 3.6Å; L34-W171 HydrophobicContact CD1-CE3 3.59Å; L34-W171 HydrophobicContact CD1-CG 3.92Å; L34-W171 HydrophobicContact CD1-CZ3 4.19Å; L63-W171 HydrophobicContact CD2-CB 4.11Å; V66-W171 HydrophobicContact CG1-CB 4.36Å; V66-W171 WeakPolarHBondContact CG2-O 3.43Å; W120-W171 AromaticContact CH2-CE3 3.97Å; W120-W171 HydrophobicContact CH2-CE3 3.97Å; W120-W171 HydrophobicContact CH2-CZ3 4.37Å; W120-W171 AromaticContact CZ3-CE3 3.89Å; W120-W171 HydrophobicContact CZ3-CE3 3.89Å; W120-W171 AromaticContact CZ3-CZ3 3.91Å; W120-W171 HydrophobicContact CZ3-CZ3 3.91Å; V123-W171 HydrophobicContact CG1-CH2 4.03Å; V123-W171 HydrophobicContact CG1-CZ3 3.81Å; Y127-W171 AromaticContact CE2-CH2 3.72Å; Y127-W171 HydrophobicContact CE2-CH2 3.72Å; Y127-W171 HydrophobicContact CE2-CZ3 4.02Å; Y127-W171 AromaticContact CZ-CH2 3.74Å; Y127-W171 WeakPolarHBondContact OH-CH2 3.22Å; V157-W171 HydrophobicContact CG1-CZ2 4.17Å; V157-W171 HydrophobicContact CG2-CZ2 4.32Å; L165-W171 HydrophobicContact CD1-CD2 4.5Å; L165-W171 HydrophobicContact CD1-CH2 4.18Å; L165-W171 HydrophobicContact CD1-CZ2 3.49Å; L165-W171 VanDerWaalsContact CD1-CZ2 3.49Å; L165-W171 HydrophobicContact CD2-CD2 4.18Å; L165-W171 HydrophobicContact CD2-CE3 4.34Å; L165-W171 HydrophobicContact CD2-CH2 4.48Å; L165-W171 HydrophobicContact CD2-CZ2 4.33Å; W171-D173 PolarHBondContact O-N 3.18Å; W171-V174 VanDerWaalsContact O-CG1 3.31Å; W171-V174 WeakPolarHBondContact O-CG1 3.42Å; W171-V174 PolarHBondContact O-N 3.18Å |
| 172 | T | 93.4 | Very high | 86 | Confident | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.301 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -68.4 | -14.5 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | R62 V66 G170 V174 L175 | R62-T172 HydrophobicContact CB-CG2 4.17Å; V66-T172 HydrophobicContact CG2-CG2 4.36Å; G170-T172 VanDerWaalsContact C-N 3.29Å; G170-T172 PolarHBondContact O-N 2.88Å; T172-V174 PolarHBondContact O-N 3.18Å; T172-L175 VanDerWaalsContact O-CB 3.28Å; T172-L175 WeakPolarHBondContact O-CB 3.31Å; T172-L175 VanDerWaalsContact O-CG 3.3Å; T172-L175 WeakPolarHBondContact O-CG 3.38Å; T172-L175 PolarHBondContact O-N 2.93Å; T172-L175 VanDerWaalsContact O-N 3.15Å |
| 173 | D | 94.2 | Very high | 83.7 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 8% | 0.075 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -64.9 | -26.4 | 176.9 | -176.8 | 73 | 0 | 0 | 0 | 112.7 | W120 R168 G170 W171 L175 K176 | W120-D173 HydrophobicContact CZ2-CB 3.94Å; W120-D173 PolarHBondContact NE1-OD2 3.1Å; R168-D173 HydrophobicContact CB-CB 3.93Å; R168-D173 WeakPolarHBondContact CD-OD2 3.38Å; R168-D173 VanDerWaalsContact O-CB 3.31Å; R168-D173 WeakPolarHBondContact O-CB 3.3Å; G170-D173 WeakPolarHBondContact O-CB 3.39Å; G170-D173 PolarHBondContact O-N 3.05Å; W171-D173 PolarHBondContact O-N 3.18Å; D173-L175 PolarHBondContact O-N 2.81Å; D173-K176 WeakPolarHBondContact O-CB 3.28Å; D173-K176 PolarHBondContact O-N 3.24Å; D173-K176 VanDerWaalsContact O-N 3.1Å; D173-K176 WeakPolarHBondContact OD1-CD 3.18Å; D173-K176 WeakPolarHBondContact OD1-CE 3.37Å; D173-K176 IonicContact OD1-NZ 3.41Å; D173-K176 PolarHBondContact OD1-NZ 3.24Å |
| 174 | V | 94.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -61.8 | -24.6 | 174.9 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | V66 V69 L70 L73 W120 W171 T172 K176 C177 | V66-V174 HydrophobicContact CB-CG1 4.38Å; V66-V174 HydrophobicContact CG1-CG1 3.85Å; V66-V174 HydrophobicContact CG2-CG1 4.2Å; V69-V174 HydrophobicContact CG1-CG1 4.17Å; V69-V174 HydrophobicContact CG1-CG2 4.16Å; L70-V174 HydrophobicContact CD2-CG2 4.16Å; L73-V174 HydrophobicContact CD1-CG2 4.11Å; W120-V174 HydrophobicContact CB-CG2 4.38Å; W120-V174 HydrophobicContact CD2-CB 3.69Å; W120-V174 HydrophobicContact CD2-CG2 3.64Å; W120-V174 HydrophobicContact CE3-CB 3.62Å; W120-V174 HydrophobicContact CE3-CG2 3.47Å; W120-V174 VanDerWaalsContact CE3-CG2 3.47Å; W120-V174 HydrophobicContact CG-CB 4.41Å; W120-V174 HydrophobicContact CG-CG2 4.06Å; W120-V174 HydrophobicContact CH2-CB 3.89Å; W120-V174 HydrophobicContact CZ2-CB 3.94Å; W120-V174 HydrophobicContact CZ3-CB 3.72Å; W120-V174 HydrophobicContact CZ3-CG2 4.01Å; W171-V174 VanDerWaalsContact O-CG1 3.31Å; W171-V174 WeakPolarHBondContact O-CG1 3.42Å; W171-V174 PolarHBondContact O-N 3.18Å; T172-V174 PolarHBondContact O-N 3.18Å; V174-K176 PolarHBondContact O-N 3.02Å; V174-K176 VanDerWaalsContact O-N 3.15Å; V174-C177 VanDerWaalsContact O-CB 3.24Å; V174-C177 WeakPolarHBondContact O-CB 3.5Å; V174-C177 PolarHBondContact O-N 2.94Å |
| 175 | L | 92.5 | Very high | 79.4 | Confident | 39 Ų | 39 | 72 Ų | 72 | 20% | 0.204 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -61.7 | -24.2 | 178.4 | -58.5 | 178.9 | 0 | 0 | 0 | 111.5 | E65 V66 V69 T172 D173 C177 V178 | E65-L175 HydrophobicContact CB-CD2 4.11Å; V66-L175 HydrophobicContact CG2-CD1 4.35Å; V66-L175 HydrophobicContact CG2-CD2 3.99Å; V66-L175 HydrophobicContact CG2-CG 4.08Å; V69-L175 HydrophobicContact CB-CD2 4.14Å; V69-L175 HydrophobicContact CG2-CD2 3.66Å; T172-L175 VanDerWaalsContact O-CB 3.28Å; T172-L175 WeakPolarHBondContact O-CB 3.31Å; T172-L175 VanDerWaalsContact O-CG 3.3Å; T172-L175 WeakPolarHBondContact O-CG 3.38Å; T172-L175 PolarHBondContact O-N 2.93Å; T172-L175 VanDerWaalsContact O-N 3.15Å; D173-L175 PolarHBondContact O-N 2.81Å; L175-C177 VanDerWaalsContact C-N 3.29Å; L175-C177 PolarHBondContact O-N 2.75Å; L175-V178 VanDerWaalsContact O-O 3.04Å |
| 176 | K | 90.7 | Very high | 77.2 | Confident | 160 Ų | 160 | 81.8 Ų | 81.8 | 70% | 0.696 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -75 | -16.3 | 175 | -55.8 | 174.3 | -169.4 | 158.8 | 0 | 113.2 | D173 V174 V178 | D173-K176 WeakPolarHBondContact O-CB 3.28Å; D173-K176 PolarHBondContact O-N 3.24Å; D173-K176 VanDerWaalsContact O-N 3.1Å; D173-K176 WeakPolarHBondContact OD1-CD 3.18Å; D173-K176 WeakPolarHBondContact OD1-CE 3.37Å; D173-K176 IonicContact OD1-NZ 3.41Å; D173-K176 PolarHBondContact OD1-NZ 3.24Å; V174-K176 PolarHBondContact O-N 3.02Å; V174-K176 VanDerWaalsContact O-N 3.15Å; K176-V178 VanDerWaalsContact C-N 3.27Å |
| 177 | C | 86.4 | Confident | 75.3 | Confident | 64 Ų | 64 | 79.4 Ų | 79.4 | 43% | 0.432 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -75.9 | -20 | 178 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | L73 W120 V174 L175 | L73-C177 HydrophobicContact CD1-CB 4.31Å; W120-C177 VanDerWaalsContact CG-SG 3.59Å; V174-C177 VanDerWaalsContact O-CB 3.24Å; V174-C177 WeakPolarHBondContact O-CB 3.5Å; V174-C177 PolarHBondContact O-N 2.94Å; L175-C177 VanDerWaalsContact C-N 3.29Å; L175-C177 PolarHBondContact O-N 2.75Å |
| 178 | V | 81.4 | Confident | 73.8 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 12% | 0.121 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -103.2 | 125.1 | 172 | 176.2 | 0 | 0 | 0 | 0 | 106.2 | V69 L73 L175 K176 S180 | V69-V178 HydrophobicContact CG1-CB 4.49Å; V69-V178 HydrophobicContact CG1-CG2 3.65Å; V69-V178 HydrophobicContact CG2-CG2 4.3Å; L73-V178 HydrophobicContact CD1-CG2 4.41Å; L73-V178 HydrophobicContact CD2-CG2 3.99Å; L73-V178 HydrophobicContact CG-CG2 4.15Å; L175-V178 VanDerWaalsContact O-O 3.04Å; K176-V178 VanDerWaalsContact C-N 3.27Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.45Å |
| 179 | V | 73.3 | Confident | 72.8 | Confident | 123 Ų | 123 | 78.2 Ų | 78.2 | 75% | 0.745 | 43% | 0.434 | S | S | * | . | trans | -61.9 | 105.7 | 158.7 | 179.3 | 0 | 0 | 0 | 0 | 104.1 | T181 | V179-T181 PolarHBondContact O-N 2.98Š| ||
| 180 | S | 57.9 | Low | 71.9 | Confident | 82 Ų | 82 | 80 Ų | 80 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | trans | -53.8 | 97.7 | 159.4 | -63.1 | 0 | 0 | 0 | 0 | 104.2 | V178 D182 | V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact O-N 3.45Å | ||
| 181 | T | 49.3 | Very low | 70.8 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 60% | 0.595 | 45% | 0.452 | S | S | * | . | trans | -55.2 | 105.2 | 160 | -53.6 | 0 | 0 | 0 | 0 | 102.6 | V179 L185 | V179-T181 PolarHBondContact O-N 2.98Å; T181-L185 HydrophobicContact CG2-CB 3.92Å; T181-L185 HydrophobicContact CG2-CD2 3.45Å; T181-L185 VanDerWaalsContact CG2-CD2 3.45Å; T181-L185 HydrophobicContact CG2-CG 4.32Å | ||
| 182 | D | 45.4 | Very low | 69.6 | Low | 118 Ų | 118 | 85.3 Ų | 85.3 | 63% | 0.631 | 47% | 0.468 | S | S | * | . | trans | -43.9 | 139.7 | -171.5 | -84.7 | -47.9 | 0 | 0 | 0 | 109.2 | S180 G184 L185 | S180-D182 PolarHBondContact O-N 3.45Å; D182-G184 PolarHBondContact O-N 3.47Å; D182-L185 PolarHBondContact O-N 3.42Å | ||
| 183 | P | 48.4 | Very low | 68.9 | Low | 100 Ų | 100 | 85 Ų | 85 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -58.7 | -7.7 | 167.3 | 24 | -31.2 | 0 | 0 | 0 | 112.2 | L185 R186 | P183-L185 VanDerWaalsContact C-N 3.27Å; P183-L185 PolarHBondContact O-N 2.68Å; P183-R186 WeakPolarHBondContact O-CD 3.46Å; P183-R186 WeakPolarHBondContact O-CG 3.49Å; P183-R186 PolarHBondContact O-N 3.29Å |
| 184 | G | 50.8 | Low | 68.1 | Low | 66 Ų | 66 | 90 Ų | 90 | 68% | 0.68 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -64.9 | -21.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D182 R186 | D182-G184 PolarHBondContact O-N 3.47Å; G184-R186 PolarHBondContact O-N 3.22Å |
| 185 | L | 50.2 | Low | 67.3 | Low | 93 Ų | 93 | 93.8 Ų | 93.8 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -77.8 | 29 | 170.2 | -149.7 | 75.8 | 0 | 0 | 0 | 112.3 | T181 D182 P183 S187 H188 | T181-L185 HydrophobicContact CG2-CB 3.92Å; T181-L185 HydrophobicContact CG2-CD2 3.45Å; T181-L185 VanDerWaalsContact CG2-CD2 3.45Å; T181-L185 HydrophobicContact CG2-CG 4.32Å; D182-L185 PolarHBondContact O-N 3.42Å; P183-L185 VanDerWaalsContact C-N 3.27Å; P183-L185 PolarHBondContact O-N 2.68Å; L185-S187 PolarHBondContact O-N 2.86Å; L185-S187 VanDerWaalsContact O-N 3.1Å; L185-H188 WeakPolarHBondContact O-CB 3.38Å; L185-H188 PolarHBondContact O-N 3.32Å |
| 186 | R | 51.6 | Low | 66.6 | Low | 207 Ų | 207 | 95.2 Ų | 95.2 | 78% | 0.781 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 3.8 | 161.8 | -87.3 | 173.5 | -179.7 | -106.4 | 2.8 | 113.5 | P183 G184 H188 | P183-R186 WeakPolarHBondContact O-CD 3.46Å; P183-R186 WeakPolarHBondContact O-CG 3.49Å; P183-R186 PolarHBondContact O-N 3.29Å; G184-R186 PolarHBondContact O-N 3.22Å; R186-H188 PolarHBondContact O-N 3.5Å |
| 187 | S | 53.5 | Low | 66.3 | Low | 51 Ų | 51 | 93.1 Ų | 93.1 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 8.6 | 154.8 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | L185 W189 L190 V191 | L185-S187 PolarHBondContact O-N 2.86Å; L185-S187 VanDerWaalsContact O-N 3.1Å; S187-W189 VanDerWaalsContact C-N 3.25Å; S187-W189 PolarHBondContact O-N 2.91Å; S187-L190 WeakPolarHBondContact O-CB 3.18Å; S187-L190 PolarHBondContact O-N 3Å; S187-V191 PolarHBondContact O-N 3.43Å |
| 188 | H | 62.4 | Low | 65.9 | Low | 130 Ų | 130 | 91.8 Ų | 91.8 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -53.9 | -29.3 | 175.8 | -168.4 | -90.5 | 0 | 0 | 0 | 115 | L185 R186 L190 V191 A192 | L185-H188 WeakPolarHBondContact O-CB 3.38Å; L185-H188 PolarHBondContact O-N 3.32Å; R186-H188 PolarHBondContact O-N 3.5Å; H188-L190 VanDerWaalsContact C-N 3.32Å; H188-V191 PolarHBondContact O-N 3.07Å; H188-A192 WeakPolarHBondContact O-CB 3.45Å; H188-A192 PolarHBondContact O-N 3.49Å |
| 189 | W | 72.3 | Confident | 65.9 | Low | 181 Ų | 181 | 100.3 Ų | 100.3 | 69% | 0.686 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.4 | -35 | 174.6 | 68.3 | -91 | 0 | 0 | 0 | 111.7 | S187 A193 | S187-W189 VanDerWaalsContact C-N 3.25Å; S187-W189 PolarHBondContact O-N 2.91Å; W189-A193 WeakPolarHBondContact O-CB 3.46Å; W189-A193 PolarHBondContact O-N 3.02Å |
| 190 | L | 71.8 | Confident | 66.4 | Low | 81 Ų | 81 | 101.2 Ų | 101.2 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.3 | -44.6 | 174.7 | -74 | 169.3 | 0 | 0 | 0 | 111.3 | S187 H188 A193 L194 | S187-L190 WeakPolarHBondContact O-CB 3.18Å; S187-L190 PolarHBondContact O-N 3Å; H188-L190 VanDerWaalsContact C-N 3.32Å; L190-A193 PolarHBondContact O-N 3.39Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.4Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 3.29Å |
| 191 | V | 71.9 | Confident | 67.6 | Low | 73 Ų | 73 | 101.5 Ų | 101.5 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 178.5 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | S187 H188 A193 L194 C195 | S187-V191 PolarHBondContact O-N 3.43Å; H188-V191 PolarHBondContact O-N 3.07Å; V191-A193 VanDerWaalsContact C-N 3.33Å; V191-A193 PolarHBondContact O-N 2.92Å; V191-L194 PolarHBondContact O-N 2.84Å; V191-C195 WeakPolarHBondContact O-CB 3.34Å; V191-C195 PolarHBondContact O-N 3.22Å; V191-C195 PolarHBondContact O-SG 3.45Å; V191-C195 VanDerWaalsContact O-SG 3.33Å |
| 192 | A | 69.3 | Low | 69.1 | Low | 43 Ų | 43 | 103.8 Ų | 103.8 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | H188 C195 S196 | H188-A192 WeakPolarHBondContact O-CB 3.45Å; H188-A192 PolarHBondContact O-N 3.49Å; A192-C195 PolarHBondContact O-N 2.83Å; A192-S196 VanDerWaalsContact O-CB 3.27Å; A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 2.91Å; A192-S196 PolarHBondContact O-OG 3.4Å; A192-S196 VanDerWaalsContact O-OG 3.11Å |
| 193 | A | 78.8 | Confident | 70.9 | Confident | 44 Ų | 44 | 100.7 Ų | 100.7 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W189 L190 V191 S196 F197 | W189-A193 WeakPolarHBondContact O-CB 3.46Å; W189-A193 PolarHBondContact O-N 3.02Å; L190-A193 PolarHBondContact O-N 3.39Å; V191-A193 VanDerWaalsContact C-N 3.33Å; V191-A193 PolarHBondContact O-N 2.92Å; A193-S196 WeakPolarHBondContact CA-OG 3.43Å; A193-S196 PolarHBondContact O-N 3.41Å; A193-S196 PolarHBondContact O-OG 3.43Å; A193-F197 WeakPolarHBondContact O-CA 3.26Å; A193-F197 WeakPolarHBondContact O-CB 3.48Å; A193-F197 PolarHBondContact O-N 2.95Å |
| 194 | L | 77.6 | Confident | 72.5 | Confident | 119 Ų | 119 | 97.2 Ų | 97.2 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.8 | -39.6 | 175.9 | -73.9 | 169.3 | 0 | 0 | 0 | 111.2 | L190 V191 G198 | L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.4Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 3.29Å; V191-L194 PolarHBondContact O-N 2.84Å; L194-G198 PolarHBondContact O-N 3.42Å |
| 195 | C | 78.8 | Confident | 74 | Confident | 78 Ų | 78 | 100.2 Ų | 100.2 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 173.8 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | V191 A192 R199 | V191-C195 WeakPolarHBondContact O-CB 3.34Å; V191-C195 PolarHBondContact O-N 3.22Å; V191-C195 PolarHBondContact O-SG 3.45Å; V191-C195 VanDerWaalsContact O-SG 3.33Å; A192-C195 PolarHBondContact O-N 2.83Å; C195-R199 WeakPolarHBondContact O-CB 3.49Å; C195-R199 VanDerWaalsContact O-CG 3.23Å; C195-R199 WeakPolarHBondContact O-CG 3.22Å; C195-R199 PolarHBondContact O-N 3.42Å |
| 196 | S | 77.8 | Confident | 75.4 | Confident | 69 Ų | 69 | 103.1 Ų | 103.1 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 177.1 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | A192 A193 R199 F200 | A192-S196 VanDerWaalsContact O-CB 3.27Å; A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 2.91Å; A192-S196 PolarHBondContact O-OG 3.4Å; A192-S196 VanDerWaalsContact O-OG 3.11Å; A193-S196 WeakPolarHBondContact CA-OG 3.43Å; A193-S196 PolarHBondContact O-N 3.41Å; A193-S196 PolarHBondContact O-OG 3.43Å; S196-R199 PolarHBondContact O-N 2.9Å; S196-F200 WeakPolarHBondContact O-CB 3.17Å; S196-F200 PolarHBondContact O-N 3.28Å |
| 197 | F | 83 | Confident | 76.8 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.9 | -174.6 | -107.4 | 0 | 0 | 0 | 111.5 | A193 R199 F200 L201 | A193-F197 WeakPolarHBondContact O-CA 3.26Å; A193-F197 WeakPolarHBondContact O-CB 3.48Å; A193-F197 PolarHBondContact O-N 2.95Å; F197-R199 PolarHBondContact O-N 2.88Å; F197-F200 PolarHBondContact O-N 3.17Å; F197-L201 HydrophobicContact CD1-CD1 3.72Å; F197-L201 HydrophobicContact CD1-CG 4.19Å; F197-L201 HydrophobicContact CE1-CD1 3.3Å; F197-L201 HydrophobicContact CE1-CD2 4.45Å; F197-L201 HydrophobicContact CE1-CG 3.91Å; F197-L201 HydrophobicContact CE2-CG 4.4Å; F197-L201 HydrophobicContact CZ-CD1 3.82Å; F197-L201 HydrophobicContact CZ-CD2 4.12Å; F197-L201 HydrophobicContact CZ-CG 4.01Å; F197-L201 WeakPolarHBondContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CG 3.34Å; F197-L201 PolarHBondContact O-N 3Å |
| 198 | G | 79.4 | Confident | 78 | Confident | 36 Ų | 36 | 102.8 Ų | 102.8 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L194 K202 | L194-G198 PolarHBondContact O-N 3.42Å; G198-K202 WeakPolarHBondContact O-CB 3.48Å; G198-K202 PolarHBondContact O-N 2.93Å |
| 199 | R | 79.7 | Confident | 78.2 | Confident | 198 Ų | 198 | 101.4 Ų | 101.4 | 75% | 0.747 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 174.3 | -71.2 | 172.6 | 74.9 | 126 | 4.1 | 112 | C195 S196 F197 K202 A203 | C195-R199 WeakPolarHBondContact O-CB 3.49Å; C195-R199 VanDerWaalsContact O-CG 3.23Å; C195-R199 WeakPolarHBondContact O-CG 3.22Å; C195-R199 PolarHBondContact O-N 3.42Å; S196-R199 PolarHBondContact O-N 2.9Å; F197-R199 PolarHBondContact O-N 2.88Å; R199-K202 PolarHBondContact O-N 3.15Å; R199-A203 WeakPolarHBondContact O-CB 3.47Å; R199-A203 PolarHBondContact O-N 2.7Å |
| 200 | F | 83.9 | Confident | 77.9 | Confident | 142 Ų | 142 | 97.7 Ų | 97.7 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -47 | 176.6 | -175.4 | -92.8 | 0 | 0 | 0 | 111.5 | S196 F197 K202 A203 A204 | S196-F200 WeakPolarHBondContact O-CB 3.17Å; S196-F200 PolarHBondContact O-N 3.28Å; F197-F200 PolarHBondContact O-N 3.17Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.41Å; F200-A203 PolarHBondContact O-N 2.98Å; F200-A204 VanDerWaalsContact O-CB 3.27Å; F200-A204 WeakPolarHBondContact O-CB 3.48Å; F200-A204 PolarHBondContact O-N 3.45Å |
| 201 | L | 84 | Confident | 77.8 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 47% | 0.466 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.5 | -41.7 | 174.9 | -76.3 | -179.9 | 0 | 0 | 0 | 111.8 | F197 A204 F205 | F197-L201 HydrophobicContact CD1-CD1 3.72Å; F197-L201 HydrophobicContact CD1-CG 4.19Å; F197-L201 HydrophobicContact CE1-CD1 3.3Å; F197-L201 HydrophobicContact CE1-CD2 4.45Å; F197-L201 HydrophobicContact CE1-CG 3.91Å; F197-L201 HydrophobicContact CE2-CG 4.4Å; F197-L201 HydrophobicContact CZ-CD1 3.82Å; F197-L201 HydrophobicContact CZ-CD2 4.12Å; F197-L201 HydrophobicContact CZ-CG 4.01Å; F197-L201 WeakPolarHBondContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CG 3.34Å; F197-L201 PolarHBondContact O-N 3Å; L201-A204 PolarHBondContact O-N 2.92Å; L201-F205 VanDerWaalsContact O-CB 3.28Å; L201-F205 WeakPolarHBondContact O-CB 3.3Å; L201-F205 PolarHBondContact O-N 2.93Å |
| 202 | K | 79.9 | Confident | 76.8 | Confident | 144 Ų | 144 | 114.9 Ų | 114.9 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.4 | -46.1 | 177.1 | -151.8 | -177 | -169.6 | -176.9 | 0 | 111.2 | G198 R199 F200 F205 F206 | G198-K202 WeakPolarHBondContact O-CB 3.48Å; G198-K202 PolarHBondContact O-N 2.93Å; R199-K202 PolarHBondContact O-N 3.15Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.41Å; K202-F205 PolarHBondContact O-N 3.34Å; K202-F206 HydrophobicContact CG-CD2 4.37Å; K202-F206 HydrophobicContact CG-CE2 4.24Å; K202-F206 VanDerWaalsContact O-CD2 3.27Å; K202-F206 WeakPolarHBondContact O-CD2 3.39Å; K202-F206 PolarHBondContact O-N 3.45Å; K202-F206 VanDerWaalsContact O-N 3.09Å |
| 203 | A | 83.3 | Confident | 77.1 | Confident | 54 Ų | 54 | 118.5 Ų | 118.5 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.2 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R199 F200 F205 F206 V207 | R199-A203 WeakPolarHBondContact O-CB 3.47Å; R199-A203 PolarHBondContact O-N 2.7Å; F200-A203 PolarHBondContact O-N 2.98Å; A203-F205 PolarHBondContact O-N 3.41Å; A203-F206 PolarHBondContact O-N 3.25Å; A203-V207 WeakPolarHBondContact O-CG2 3.42Å; A203-V207 PolarHBondContact O-N 2.93Å |
| 204 | A | 83.1 | Confident | 77 | Confident | 26 Ų | 26 | 122.4 Ų | 122.4 | 22% | 0.215 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -62.7 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F200 L201 F206 V207 L208 | F200-A204 VanDerWaalsContact O-CB 3.27Å; F200-A204 WeakPolarHBondContact O-CB 3.48Å; F200-A204 PolarHBondContact O-N 3.45Å; L201-A204 PolarHBondContact O-N 2.92Å; A204-F206 PolarHBondContact O-N 2.98Å; A204-V207 PolarHBondContact O-N 3.23Å; A204-L208 HydrophobicContact CB-CD1 4.26Å; A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.29Å; A204-L208 PolarHBondContact O-N 3.36Å |
| 205 | F | 81.4 | Confident | 77 | Confident | 129 Ų | 129 | 122.6 Ų | 122.6 | 57% | 0.566 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.6 | -46.4 | 173.9 | -178.5 | -88 | 0 | 0 | 0 | 111.7 | L201 K202 A203 V207 L209 | L201-F205 VanDerWaalsContact O-CB 3.28Å; L201-F205 WeakPolarHBondContact O-CB 3.3Å; L201-F205 PolarHBondContact O-N 2.93Å; K202-F205 PolarHBondContact O-N 3.34Å; A203-F205 PolarHBondContact O-N 3.41Å; F205-V207 VanDerWaalsContact C-N 3.32Å; F205-V207 PolarHBondContact O-N 3.42Å; F205-L209 HydrophobicContact CD1-CD1 4Å; F205-L209 HydrophobicContact CD2-CD1 3.45Å; F205-L209 VanDerWaalsContact CD2-CD1 3.45Å; F205-L209 HydrophobicContact CE1-CD1 3.66Å; F205-L209 HydrophobicContact CE2-CD1 3.09Å; F205-L209 HydrophobicContact CG-CD1 3.9Å; F205-L209 HydrophobicContact CZ-CD1 3.2Å; F205-L209 WeakPolarHBondContact O-CB 3.43Å; F205-L209 PolarHBondContact O-N 3.44Å |
| 206 | F | 80.7 | Confident | 76.9 | Confident | 155 Ų | 155 | 125.2 Ų | 125.2 | 68% | 0.68 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.5 | -29 | 177.2 | -87.2 | -74.6 | 0 | 0 | 0 | 114 | K202 A203 A204 | K202-F206 HydrophobicContact CG-CD2 4.37Å; K202-F206 HydrophobicContact CG-CE2 4.24Å; K202-F206 VanDerWaalsContact O-CD2 3.27Å; K202-F206 WeakPolarHBondContact O-CD2 3.39Å; K202-F206 PolarHBondContact O-N 3.45Å; K202-F206 VanDerWaalsContact O-N 3.09Å; A203-F206 PolarHBondContact O-N 3.25Å; A204-F206 PolarHBondContact O-N 2.98Å |
| 207 | V | 81.1 | Confident | 76.9 | Confident | 115 Ų | 115 | 128.8 Ų | 128.8 | 70% | 0.697 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -88.6 | -35.7 | -179.8 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | A203 A204 F205 | A203-V207 WeakPolarHBondContact O-CG2 3.42Å; A203-V207 PolarHBondContact O-N 2.93Å; A204-V207 PolarHBondContact O-N 3.23Å; F205-V207 VanDerWaalsContact C-N 3.32Å; F205-V207 PolarHBondContact O-N 3.42Å |
| 208 | L | 77.9 | Confident | 76.5 | Confident | 136 Ų | 136 | 129.5 Ų | 129.5 | 71% | 0.712 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -93 | -11.6 | -174.5 | -66 | 173.3 | 0 | 0 | 0 | 114.2 | A204 P210 | A204-L208 HydrophobicContact CB-CD1 4.26Å; A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.29Å; A204-L208 PolarHBondContact O-N 3.36Å; L208-P210 WeakPolarHBondContact O-CD 3.24Å |
| 209 | L | 66.7 | Low | 76.2 | Confident | 100 Ų | 100 | 136.2 Ų | 136.2 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | trans | -100.4 | 77.9 | 161 | -70.4 | 162.1 | 0 | 0 | 0 | 108.8 | F205 E211 | F205-L209 HydrophobicContact CD1-CD1 4Å; F205-L209 HydrophobicContact CD2-CD1 3.45Å; F205-L209 VanDerWaalsContact CD2-CD1 3.45Å; F205-L209 HydrophobicContact CE1-CD1 3.66Å; F205-L209 HydrophobicContact CE2-CD1 3.09Å; F205-L209 HydrophobicContact CG-CD1 3.9Å; F205-L209 HydrophobicContact CZ-CD1 3.2Å; F205-L209 WeakPolarHBondContact O-CB 3.43Å; F205-L209 PolarHBondContact O-N 3.44Å; L209-E211 PolarHBondContact O-N 3.47Å | ||
| 210 | P | 66.6 | Low | 76 | Confident | 103 Ų | 103 | 131.5 Ų | 131.5 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | trans | -56 | 124.1 | 156.8 | 6 | -1.3 | 0 | 0 | 0 | 107 | L208 R212 | L208-P210 WeakPolarHBondContact O-CD 3.24Å; P210-R212 PolarHBondContact O-N 2.8Å; P210-R212 VanDerWaalsContact O-N 3.16Å | ||
| 211 | E | 69.9 | Low | 75.3 | Confident | 195 Ų | 195 | 130.6 Ų | 130.6 | 91% | 0.911 | 64% | 0.644 | S | S | * | * | trans | -49.1 | 124.3 | 170.7 | -65.7 | -155.8 | 160.5 | 0 | 0 | 108.8 | L209 | L209-E211 PolarHBondContact O-N 3.47Š| ||
| 212 | R | 49.3 | Very low | 74.5 | Confident | 321 Ų | 321 | 134.4 Ų | 134.4 | 100% | 1.211 | 66% | 0.66 | S | S | * | * | trans | -78.3 | 0 | 163.5 | -77.8 | -164.6 | 176.6 | -179.8 | -0.5 | 109.4 | P210 | P210-R212 PolarHBondContact O-N 2.8Å; P210-R212 VanDerWaalsContact O-N 3.16Å |
Retrieved 212 of 212 residues in 533.4 ms
(Link to these results)