| 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 | 47.2 | Very low | 68.5 | Low | 175 Ų | 175 | 93.5 Ų | 93.5 | 86% | 0.862 | 48% | 0.482 | S | S | * | . | 0 | -55.8 | 0 | -154.9 | 162.5 | 77.1 | 0 | 0 | 108.4 | L3 M4 E5 | M1-L3 PolarHBondContact O-N 3.33Å; M1-M4 PolarHBondContact O-N 2.96Å; M1-E5 PolarHBondContact O-N 3.23Å | |||
| 2 | E | 46.4 | Very low | 70.1 | Confident | 155 Ų | 155 | 91.8 Ų | 91.8 | 72% | 0.724 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -50.7 | -49.4 | 174.4 | -67.2 | 172.9 | 160.6 | 0 | 0 | 114.6 | M4 E5 D6 | E2-M4 VanDerWaalsContact C-N 3.26Å; E2-M4 PolarHBondContact O-N 3.42Å; E2-E5 PolarHBondContact O-N 3.4Å; E2-E5 VanDerWaalsContact O-N 3.15Å; E2-D6 PolarHBondContact O-N 2.96Å |
| 3 | L | 56.2 | Low | 71.7 | Confident | 118 Ų | 118 | 90.5 Ų | 90.5 | 62% | 0.618 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.5 | -25 | 178.8 | -68.5 | 170.9 | 0 | 0 | 0 | 114.6 | M1 E7 | M1-L3 PolarHBondContact O-N 3.33Å; L3-E7 PolarHBondContact O-N 2.84Å |
| 4 | M | 55 | Low | 73.2 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -79.6 | -34.7 | 176 | -68.5 | -163.2 | -68.4 | 0 | 0 | 111.5 | M1 E2 D6 E8 | M1-M4 PolarHBondContact O-N 2.96Å; E2-M4 VanDerWaalsContact C-N 3.26Å; E2-M4 PolarHBondContact O-N 3.42Å; M4-D6 VanDerWaalsContact C-N 3.34Å; M4-E8 PolarHBondContact O-N 3.21Å; M4-E8 VanDerWaalsContact O-N 3.12Å |
| 5 | E | 60.3 | Low | 74.5 | Confident | 113 Ų | 113 | 80.7 Ų | 80.7 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 174.5 | -69.9 | 172.7 | 169.3 | 0 | 0 | 110.7 | M1 E2 E8 A9 | M1-E5 PolarHBondContact O-N 3.23Å; E2-E5 PolarHBondContact O-N 3.4Å; E2-E5 VanDerWaalsContact O-N 3.15Å; E5-E8 PolarHBondContact O-N 3.5Å; E5-A9 WeakPolarHBondContact O-CB 3.46Å; E5-A9 PolarHBondContact O-N 3.32Å |
| 6 | D | 73.6 | Confident | 75.5 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.7 | -76.7 | -21.4 | 0 | 0 | 0 | 112.5 | E2 M4 A9 V10 | E2-D6 PolarHBondContact O-N 2.96Å; M4-D6 VanDerWaalsContact C-N 3.34Å; D6-A9 PolarHBondContact O-N 3.03Å; D6-V10 VanDerWaalsContact O-CG2 3.23Å; D6-V10 WeakPolarHBondContact O-CG2 3.34Å; D6-V10 PolarHBondContact O-N 2.95Å |
| 7 | E | 73.1 | Confident | 76.4 | Confident | 24 Ų | 24 | 82.5 Ų | 82.5 | 11% | 0.112 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.9 | -36.3 | 179.2 | -78 | 177 | 170.7 | 0 | 0 | 112.2 | L3 V10 M11 R58 | L3-E7 PolarHBondContact O-N 2.84Å; E7-V10 PolarHBondContact O-N 3.09Å; E7-M11 WeakPolarHBondContact O-CG 3.46Å; E7-M11 PolarHBondContact O-N 3.1Å; E7-R58 IonicContact OE2-CZ 3.52Å; E7-R58 IonicContact OE2-NH1 2.62Å; E7-R58 PolarHBondContact OE2-NH1 3.13Å; E7-R58 IonicContact OE2-NH2 3.86Å |
| 8 | E | 77.4 | Confident | 77.2 | Confident | 126 Ų | 126 | 78 Ų | 78 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -70.6 | -36.8 | 176.5 | -170.7 | 158.8 | -162.1 | 0 | 0 | 112.2 | M4 E5 M11 S12 | M4-E8 PolarHBondContact O-N 3.21Å; M4-E8 VanDerWaalsContact O-N 3.12Å; E5-E8 PolarHBondContact O-N 3.5Å; E8-M11 PolarHBondContact O-N 2.99Å; E8-S12 WeakPolarHBondContact O-CB 3.49Å; E8-S12 PolarHBondContact O-N 2.82Å; E8-S12 PolarHBondContact O-OG 2.66Å |
| 9 | A | 85.2 | Confident | 77.7 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 50% | 0.496 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E5 D6 M11 S12 E13 | E5-A9 WeakPolarHBondContact O-CB 3.46Å; E5-A9 PolarHBondContact O-N 3.32Å; D6-A9 PolarHBondContact O-N 3.03Å; A9-M11 PolarHBondContact O-N 3.36Å; A9-S12 PolarHBondContact O-N 2.71Å; A9-E13 WeakPolarHBondContact O-CB 3.47Å; A9-E13 PolarHBondContact O-N 2.78Å |
| 10 | V | 88.5 | Confident | 77.8 | Confident | 59 Ų | 59 | 81.5 Ų | 81.5 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | D6 E7 L14 T35 V39 | D6-V10 VanDerWaalsContact O-CG2 3.23Å; D6-V10 WeakPolarHBondContact O-CG2 3.34Å; D6-V10 PolarHBondContact O-N 2.95Å; E7-V10 PolarHBondContact O-N 3.09Å; V10-L14 VanDerWaalsContact O-CB 3.31Å; V10-L14 WeakPolarHBondContact O-CB 3.42Å; V10-L14 PolarHBondContact O-N 3.4Å; V10-T35 HydrophobicContact CG1-CG2 3.95Å; V10-V39 HydrophobicContact CG1-CG2 4.23Å |
| 11 | M | 90.2 | Very high | 77.4 | Confident | 8 Ų | 8 | 87.1 Ų | 87.1 | 4% | 0.039 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.8 | -65.3 | -56.1 | -179.2 | 0 | 0 | 112.4 | E7 E8 A9 L14 M15 V39 R58 F59 V64 | E7-M11 WeakPolarHBondContact O-CG 3.46Å; E7-M11 PolarHBondContact O-N 3.1Å; E8-M11 PolarHBondContact O-N 2.99Å; A9-M11 PolarHBondContact O-N 3.36Å; M11-L14 PolarHBondContact O-N 3.37Å; M11-M15 WeakPolarHBondContact O-CG 3.2Å; M11-M15 PolarHBondContact O-N 3.23Å; M11-V39 HydrophobicContact CE-CG1 4.1Å; M11-R58 HydrophobicContact CE-CB 4.24Å; M11-F59 HydrophobicContact CE-CD1 3.19Å; M11-F59 HydrophobicContact CE-CE1 3.18Å; M11-F59 HydrophobicContact CE-CG 4.02Å; M11-F59 HydrophobicContact CE-CZ 3.98Å; M11-F59 HydrophobicContact SD-CD1 3.56Å; M11-F59 VanDerWaalsContact SD-CD1 3.56Å; M11-F59 HydrophobicContact SD-CE1 3.72Å; M11-V64 HydrophobicContact SD-CG2 4.25Å |
| 12 | S | 88 | Confident | 78.9 | Confident | 73 Ų | 73 | 81.6 Ų | 81.6 | 51% | 0.51 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -43.1 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | E8 A9 M15 R16 | E8-S12 WeakPolarHBondContact O-CB 3.49Å; E8-S12 PolarHBondContact O-N 2.82Å; E8-S12 PolarHBondContact O-OG 2.66Å; A9-S12 PolarHBondContact O-N 2.71Å; S12-M15 PolarHBondContact O-N 3.37Å; S12-R16 WeakPolarHBondContact O-CB 3.36Å; S12-R16 PolarHBondContact O-N 2.78Å |
| 13 | E | 90.9 | Very high | 80.8 | Confident | 76 Ų | 76 | 76.5 Ų | 76.5 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 175.7 | 178.2 | 55.4 | -160.1 | 0 | 0 | 111.7 | A9 M15 R16 Q17 | A9-E13 WeakPolarHBondContact O-CB 3.47Å; A9-E13 PolarHBondContact O-N 2.78Å; E13-M15 PolarHBondContact O-N 2.81Å; E13-R16 WeakPolarHBondContact O-CB 3.25Å; E13-R16 PolarHBondContact O-N 3.24Å; E13-R16 IonicContact OE1-CZ 3.51Å; E13-R16 IonicContact OE1-NE 3.5Å; E13-R16 PolarHBondContact OE1-NE 3.4Å; E13-R16 IonicContact OE1-NH2 2.71Å; E13-R16 PolarHBondContact OE1-NH2 2.97Å; E13-R16 IonicContact OE2-CZ 3.64Å; E13-R16 IonicContact OE2-NE 2.84Å; E13-R16 PolarHBondContact OE2-NE 3.18Å; E13-R16 IonicContact OE2-NH2 3.55Å; E13-Q17 WeakPolarHBondContact O-CG 3.46Å; E13-Q17 PolarHBondContact O-N 3.41Å; E13-Q17 PolarHBondContact OE1-NE2 3.48Å |
| 14 | L | 92.8 | Very high | 82.3 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -50 | 173.6 | 173.6 | 63.5 | 0 | 0 | 0 | 110.8 | V10 M11 R16 Q17 L18 L31 L32 T35 V64 | V10-L14 VanDerWaalsContact O-CB 3.31Å; V10-L14 WeakPolarHBondContact O-CB 3.42Å; V10-L14 PolarHBondContact O-N 3.4Å; M11-L14 PolarHBondContact O-N 3.37Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.91Å; L14-Q17 PolarHBondContact O-N 3.29Å; L14-L18 HydrophobicContact CD1-CD1 3.9Å; L14-L18 HydrophobicContact CD1-CD2 4.48Å; L14-L18 HydrophobicContact CD1-CG 3.96Å; L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 HydrophobicContact CG-CD1 3.85Å; L14-L18 HydrophobicContact CG-CG 4.29Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 2.96Å; L14-L31 HydrophobicContact CD1-CD1 4.27Å; L14-L31 HydrophobicContact CD1-CD2 3.78Å; L14-L31 HydrophobicContact CD1-CG 3.62Å; L14-L32 HydrophobicContact CD2-CD2 4.39Å; L14-T35 HydrophobicContact CD2-CG2 3.75Å; L14-V64 HydrophobicContact CD2-CB 4.45Å; L14-V64 HydrophobicContact CD2-CG1 3.85Å; L14-V64 HydrophobicContact CD2-CG2 3.66Å; L14-V64 HydrophobicContact CG-CG2 4.38Å |
| 15 | M | 92.7 | Very high | 83.8 | Confident | 29 Ų | 29 | 70 Ų | 70 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 179.4 | -75.9 | -59.8 | -59 | 0 | 0 | 111.9 | M11 S12 E13 Q17 L18 E19 V64 | M11-M15 WeakPolarHBondContact O-CG 3.2Å; M11-M15 PolarHBondContact O-N 3.23Å; S12-M15 PolarHBondContact O-N 3.37Å; E13-M15 PolarHBondContact O-N 2.81Å; M15-Q17 VanDerWaalsContact C-N 3.32Å; M15-Q17 PolarHBondContact O-N 2.96Å; M15-L18 PolarHBondContact O-N 3.4Å; M15-L18 HydrophobicContact SD-CD1 4.33Å; M15-E19 WeakPolarHBondContact O-CB 3.44Å; M15-E19 WeakPolarHBondContact O-CG 3.18Å; M15-E19 PolarHBondContact O-N 3.49Å; M15-V64 HydrophobicContact CG-CG2 4.03Å; M15-V64 HydrophobicContact SD-CG2 3.76Å |
| 16 | R | 91.3 | Very high | 85.1 | Confident | 133 Ų | 133 | 68 Ų | 68 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 174.9 | -168.2 | -165.5 | 69.3 | 72.1 | 1 | 112 | S12 E13 L14 D20 | S12-R16 WeakPolarHBondContact O-CB 3.36Å; S12-R16 PolarHBondContact O-N 2.78Å; E13-R16 WeakPolarHBondContact O-CB 3.25Å; E13-R16 PolarHBondContact O-N 3.24Å; E13-R16 IonicContact OE1-CZ 3.51Å; E13-R16 IonicContact OE1-NE 3.5Å; E13-R16 PolarHBondContact OE1-NE 3.4Å; E13-R16 IonicContact OE1-NH2 2.71Å; E13-R16 PolarHBondContact OE1-NH2 2.97Å; E13-R16 IonicContact OE2-CZ 3.64Å; E13-R16 IonicContact OE2-NE 2.84Å; E13-R16 PolarHBondContact OE2-NE 3.18Å; E13-R16 IonicContact OE2-NH2 3.55Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.91Å; R16-D20 PolarHBondContact O-N 2.91Å |
| 17 | Q | 90.6 | Very high | 85.9 | Confident | 59 Ų | 59 | 68 Ų | 68 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 177.1 | -70.1 | 176.7 | 9.8 | 0 | 0 | 111.9 | E13 L14 M15 E19 D20 L23 L31 | E13-Q17 WeakPolarHBondContact O-CG 3.46Å; E13-Q17 PolarHBondContact O-N 3.41Å; E13-Q17 PolarHBondContact OE1-NE2 3.48Å; L14-Q17 PolarHBondContact O-N 3.29Å; M15-Q17 VanDerWaalsContact C-N 3.32Å; M15-Q17 PolarHBondContact O-N 2.96Å; Q17-E19 VanDerWaalsContact C-N 3.27Å; Q17-E19 PolarHBondContact O-N 2.93Å; Q17-D20 WeakPolarHBondContact O-CB 3.38Å; Q17-D20 PolarHBondContact O-N 3.21Å; Q17-L23 HydrophobicContact CB-CD1 4.35Å; Q17-L23 WeakPolarHBondContact O-CD1 3.32Å; Q17-L31 HydrophobicContact CB-CD2 3.85Å; Q17-L31 VanDerWaalsContact OE1-CD2 3.26Å |
| 18 | L | 89.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.8 | -23.8 | 178.4 | -71.9 | 179.1 | 0 | 0 | 0 | 113.9 | L14 M15 Q28 L31 L32 H67 | L14-L18 HydrophobicContact CD1-CD1 3.9Å; L14-L18 HydrophobicContact CD1-CD2 4.48Å; L14-L18 HydrophobicContact CD1-CG 3.96Å; L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 HydrophobicContact CG-CD1 3.85Å; L14-L18 HydrophobicContact CG-CG 4.29Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 2.96Å; M15-L18 PolarHBondContact O-N 3.4Å; M15-L18 HydrophobicContact SD-CD1 4.33Å; L18-Q28 HydrophobicContact CD2-CB 4.07Å; L18-Q28 HydrophobicContact CD2-CG 4.1Å; L18-L31 HydrophobicContact CD2-CD2 4.21Å; L18-L32 HydrophobicContact CD1-CD2 3.62Å; L18-L32 HydrophobicContact CD1-CG 4.28Å; L18-L32 HydrophobicContact CD2-CD2 4.38Å; L18-L32 HydrophobicContact CD2-CG 4.13Å; L18-H67 HydrophobicContact CD1-CB 4.11Å |
| 19 | E | 86.6 | Confident | 87.4 | Confident | 136 Ų | 136 | 61.9 Ų | 61.9 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -87.4 | -15.5 | 174.1 | -71.7 | 176.2 | 177.7 | 0 | 0 | 113 | M15 Q17 E21 | M15-E19 WeakPolarHBondContact O-CB 3.44Å; M15-E19 WeakPolarHBondContact O-CG 3.18Å; M15-E19 PolarHBondContact O-N 3.49Å; Q17-E19 VanDerWaalsContact C-N 3.27Å; Q17-E19 PolarHBondContact O-N 2.93Å; E19-E21 PolarHBondContact O-N 3.21Å |
| 20 | D | 80.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -68.9 | 118.6 | 174.2 | -166 | -0.4 | 0 | 0 | 0 | 109.9 | R16 Q17 G22 L23 | R16-D20 PolarHBondContact O-N 2.91Å; Q17-D20 WeakPolarHBondContact O-CB 3.38Å; Q17-D20 PolarHBondContact O-N 3.21Å; D20-G22 PolarHBondContact O-N 3.05Å; D20-L23 PolarHBondContact O-N 3Å |
| 21 | E | 69.8 | Low | 88 | Confident | 199 Ų | 199 | 60.2 Ų | 60.2 | 93% | 0.93 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -7.2 | -177 | -65.8 | -172 | 167.9 | 0 | 0 | 113.3 | E19 | E19-E21 PolarHBondContact O-N 3.21Š|
| 22 | G | 78.6 | Confident | 88.3 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 62% | 0.619 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -21.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D20 | D20-G22 PolarHBondContact O-N 3.05Š|
| 23 | L | 85.8 | Confident | 88.7 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | trans | -85.3 | 125.3 | -177.2 | -65.9 | -179 | 0 | 0 | 0 | 112.1 | Q17 D20 E27 Q28 L31 | Q17-L23 HydrophobicContact CB-CD1 4.35Å; Q17-L23 WeakPolarHBondContact O-CD1 3.32Å; D20-L23 PolarHBondContact O-N 3Å; L23-E27 HydrophobicContact CB-CB 4.46Å; L23-E27 HydrophobicContact CD2-CB 4.03Å; L23-Q28 HydrophobicContact CB-CG 3.72Å; L23-Q28 HydrophobicContact CD1-CG 4.27Å; L23-Q28 PolarHBondContact O-NE2 3.34Å; L23-L31 HydrophobicContact CD1-CD2 3.96Å | ||
| 24 | S | 88.3 | Confident | 88.9 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | trans | -65.3 | 156.1 | 167.3 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | E26 E27 Q28 | S24-E26 PolarHBondContact O-N 3.19Å; S24-E26 VanDerWaalsContact O-N 3.1Å; S24-E27 VanDerWaalsContact CB-OE2 3.25Å; S24-E27 WeakPolarHBondContact CB-OE2 3.4Å; S24-E27 PolarHBondContact N-OE2 2.9Å; S24-E27 PolarHBondContact O-N 3.49Å; S24-E27 VanDerWaalsContact O-N 3.09Å; S24-E27 VanDerWaalsContact OG-CD 3.27Å; S24-E27 WeakPolarHBondContact OG-CG 3.26Å; S24-E27 PolarHBondContact OG-N 2.79Å; S24-E27 PolarHBondContact OG-OE2 2.99Å; S24-Q28 WeakPolarHBondContact O-CG 3.37Å; S24-Q28 PolarHBondContact O-N 3.45Å | ||
| 25 | P | 85.9 | Confident | 89 | Confident | 39 Ų | 39 | 60 Ų | 60 | 25% | 0.253 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -52.4 | -33.5 | 175.5 | -32.4 | 38.6 | 0 | 0 | 0 | 115 | M29 L74 | P25-M29 WeakPolarHBondContact O-CG 3.45Å; P25-M29 PolarHBondContact O-N 3.48Å; P25-L74 HydrophobicContact CB-CD1 3.51Å; P25-L74 HydrophobicContact CG-CD1 3.88Å |
| 26 | E | 87.8 | Confident | 89.2 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 178.4 | -177.1 | 171.2 | -165.9 | 0 | 0 | 111.4 | S24 Q28 M29 V30 N82 | S24-E26 PolarHBondContact O-N 3.19Å; S24-E26 VanDerWaalsContact O-N 3.1Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 2.92Å; E26-M29 PolarHBondContact O-N 3.4Å; E26-V30 WeakPolarHBondContact O-CG2 3.35Å; E26-V30 PolarHBondContact O-N 2.91Å; E26-N82 PolarHBondContact OE1-ND2 3.42Å |
| 27 | E | 89.9 | Confident | 89.4 | Confident | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 175.5 | -67.9 | 159.6 | 141.5 | 0 | 0 | 111.2 | L23 S24 M29 V30 L31 | L23-E27 HydrophobicContact CB-CB 4.46Å; L23-E27 HydrophobicContact CD2-CB 4.03Å; S24-E27 VanDerWaalsContact CB-OE2 3.25Å; S24-E27 WeakPolarHBondContact CB-OE2 3.4Å; S24-E27 PolarHBondContact N-OE2 2.9Å; S24-E27 PolarHBondContact O-N 3.49Å; S24-E27 VanDerWaalsContact O-N 3.09Å; S24-E27 VanDerWaalsContact OG-CD 3.27Å; S24-E27 WeakPolarHBondContact OG-CG 3.26Å; S24-E27 PolarHBondContact OG-N 2.79Å; S24-E27 PolarHBondContact OG-OE2 2.99Å; E27-M29 PolarHBondContact O-N 2.67Å; E27-V30 PolarHBondContact O-N 3.29Å; E27-L31 VanDerWaalsContact O-CB 3.28Å; E27-L31 WeakPolarHBondContact O-CB 3.28Å; E27-L31 PolarHBondContact O-N 3.48Å |
| 28 | Q | 91.8 | Very high | 89.6 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 173.1 | -67.3 | 178.9 | 19.5 | 0 | 0 | 111.6 | L18 L23 S24 E26 L31 L32 V71 | L18-Q28 HydrophobicContact CD2-CB 4.07Å; L18-Q28 HydrophobicContact CD2-CG 4.1Å; L23-Q28 HydrophobicContact CB-CG 3.72Å; L23-Q28 HydrophobicContact CD1-CG 4.27Å; L23-Q28 PolarHBondContact O-NE2 3.34Å; S24-Q28 WeakPolarHBondContact O-CG 3.37Å; S24-Q28 PolarHBondContact O-N 3.45Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 2.92Å; Q28-L31 PolarHBondContact O-N 3.34Å; Q28-L32 WeakPolarHBondContact O-CB 3.27Å; Q28-L32 VanDerWaalsContact O-CG 3.23Å; Q28-L32 WeakPolarHBondContact O-CG 3.42Å; Q28-L32 PolarHBondContact O-N 3.48Å; Q28-V71 HydrophobicContact CB-CG2 4.32Å |
| 29 | M | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.5 | -76.9 | -163.4 | -44.8 | 0 | 0 | 112.6 | P25 E26 E27 L32 N33 V71 L79 N82 A86 L89 | P25-M29 WeakPolarHBondContact O-CG 3.45Å; P25-M29 PolarHBondContact O-N 3.48Å; E26-M29 PolarHBondContact O-N 3.4Å; E27-M29 PolarHBondContact O-N 2.67Å; M29-L32 PolarHBondContact O-N 3.42Å; M29-N33 WeakPolarHBondContact O-CB 3.41Å; M29-N33 PolarHBondContact O-N 3.15Å; M29-N33 PolarHBondContact O-ND2 3.03Å; M29-N33 VanDerWaalsContact O-ND2 3.16Å; M29-V71 HydrophobicContact CB-CG1 4.41Å; M29-V71 HydrophobicContact CG-CG1 3.19Å; M29-V71 HydrophobicContact SD-CG1 4.14Å; M29-L79 HydrophobicContact CE-CD2 4.33Å; M29-L79 HydrophobicContact SD-CD2 3.81Å; M29-N82 HydrophobicContact CE-CB 3.85Å; M29-A86 HydrophobicContact SD-CB 4.03Å; M29-L89 HydrophobicContact CG-CD2 4.05Å |
| 30 | V | 92.1 | Very high | 90.1 | Very high | 53 Ų | 53 | 54 Ų | 54 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 109.9 | E26 E27 L32 N33 E34 | E26-V30 WeakPolarHBondContact O-CG2 3.35Å; E26-V30 PolarHBondContact O-N 2.91Å; E27-V30 PolarHBondContact O-N 3.29Å; V30-L32 VanDerWaalsContact C-N 3.35Å; V30-L32 PolarHBondContact O-N 3.41Å; V30-N33 PolarHBondContact O-N 3.11Å; V30-E34 HydrophobicContact CG1-CG 4.4Å; V30-E34 WeakPolarHBondContact O-CG 3.26Å; V30-E34 PolarHBondContact O-N 3.39Å |
| 31 | L | 94.4 | Very high | 90.7 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -44 | 178.8 | 179.4 | 63.1 | 0 | 0 | 0 | 112.4 | L14 Q17 L18 L23 E27 Q28 T35 | L14-L31 HydrophobicContact CD1-CD1 4.27Å; L14-L31 HydrophobicContact CD1-CD2 3.78Å; L14-L31 HydrophobicContact CD1-CG 3.62Å; Q17-L31 HydrophobicContact CB-CD2 3.85Å; Q17-L31 VanDerWaalsContact OE1-CD2 3.26Å; L18-L31 HydrophobicContact CD2-CD2 4.21Å; L23-L31 HydrophobicContact CD1-CD2 3.96Å; E27-L31 VanDerWaalsContact O-CB 3.28Å; E27-L31 WeakPolarHBondContact O-CB 3.28Å; E27-L31 PolarHBondContact O-N 3.48Å; Q28-L31 PolarHBondContact O-N 3.34Å; L31-T35 VanDerWaalsContact O-CB 3.32Å; L31-T35 WeakPolarHBondContact O-CB 3.42Å; L31-T35 PolarHBondContact O-N 3.04Å; L31-T35 PolarHBondContact O-OG1 3Å |
| 32 | L | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -50.7 | 174.6 | -77 | 170.5 | 0 | 0 | 0 | 111.1 | L14 L18 Q28 M29 V30 E34 T35 L36 V64 V71 L89 | L14-L32 HydrophobicContact CD2-CD2 4.39Å; L18-L32 HydrophobicContact CD1-CD2 3.62Å; L18-L32 HydrophobicContact CD1-CG 4.28Å; L18-L32 HydrophobicContact CD2-CD2 4.38Å; L18-L32 HydrophobicContact CD2-CG 4.13Å; Q28-L32 WeakPolarHBondContact O-CB 3.27Å; Q28-L32 VanDerWaalsContact O-CG 3.23Å; Q28-L32 WeakPolarHBondContact O-CG 3.42Å; Q28-L32 PolarHBondContact O-N 3.48Å; M29-L32 PolarHBondContact O-N 3.42Å; V30-L32 VanDerWaalsContact C-N 3.35Å; V30-L32 PolarHBondContact O-N 3.41Å; L32-E34 PolarHBondContact O-N 3.13Å; L32-T35 PolarHBondContact O-N 3.07Å; L32-L36 HydrophobicContact CB-CD1 4.28Å; L32-L36 HydrophobicContact CD2-CD1 4.02Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CD1 3.46Å; L32-L36 PolarHBondContact O-N 3.23Å; L32-V64 HydrophobicContact CD2-CG1 3.99Å; L32-V71 HydrophobicContact CD1-CB 4.46Å; L32-V71 HydrophobicContact CD1-CG2 4.1Å; L32-L89 HydrophobicContact CB-CD1 3.76Å; L32-L89 HydrophobicContact CD1-CD1 4.34Å; L32-L89 HydrophobicContact CD1-CD2 4.05Å |
| 33 | N | 96.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | -179.6 | -82 | -36.1 | 0 | 0 | 0 | 112.6 | M29 V30 N37 S85 L89 L92 | M29-N33 WeakPolarHBondContact O-CB 3.41Å; M29-N33 PolarHBondContact O-N 3.15Å; M29-N33 PolarHBondContact O-ND2 3.03Å; M29-N33 VanDerWaalsContact O-ND2 3.16Å; V30-N33 PolarHBondContact O-N 3.11Å; N33-N37 VanDerWaalsContact O-CB 3.23Å; N33-N37 WeakPolarHBondContact O-CB 3.35Å; N33-N37 PolarHBondContact O-N 2.87Å; N33-N37 VanDerWaalsContact O-N 3.08Å; N33-N37 PolarHBondContact O-ND2 3.39Å; N33-S85 PolarHBondContact ND2-O 3.41Å; N33-L89 WeakPolarHBondContact OD1-CA 3.44Å; N33-L89 VanDerWaalsContact OD1-CB 3.32Å; N33-L89 WeakPolarHBondContact OD1-CB 3.35Å; N33-L89 PolarHBondContact OD1-N 3.04Å; N33-L92 HydrophobicContact CB-CD1 4.39Å; N33-L92 WeakPolarHBondContact OD1-CD1 3.43Å |
| 34 | E | 95.4 | Very high | 92.5 | Very high | 125 Ų | 125 | 45.1 Ų | 45.1 | 58% | 0.584 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.6 | -46.6 | 178.9 | -72 | -179.8 | 170.6 | 0 | 0 | 111.3 | V30 L32 K38 | V30-E34 HydrophobicContact CG1-CG 4.4Å; V30-E34 WeakPolarHBondContact O-CG 3.26Å; V30-E34 PolarHBondContact O-N 3.39Å; L32-E34 PolarHBondContact O-N 3.13Å; E34-K38 VanDerWaalsContact O-CB 3.23Å; E34-K38 WeakPolarHBondContact O-CB 3.26Å; E34-K38 PolarHBondContact O-N 3.39Å |
| 35 | T | 94.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.1 | -45.9 | -176.3 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | V10 L14 L31 L32 N37 K38 V39 | V10-T35 HydrophobicContact CG1-CG2 3.95Å; L14-T35 HydrophobicContact CD2-CG2 3.75Å; L31-T35 VanDerWaalsContact O-CB 3.32Å; L31-T35 WeakPolarHBondContact O-CB 3.42Å; L31-T35 PolarHBondContact O-N 3.04Å; L31-T35 PolarHBondContact O-OG1 3Å; L32-T35 PolarHBondContact O-N 3.07Å; T35-N37 PolarHBondContact O-N 2.85Å; T35-K38 PolarHBondContact O-N 2.95Å; T35-V39 HydrophobicContact CG2-CG2 4.38Å; T35-V39 WeakPolarHBondContact O-CB 3.21Å; T35-V39 WeakPolarHBondContact O-CG2 3.31Å; T35-V39 PolarHBondContact O-N 3.36Å |
| 36 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 176.7 | -87.3 | 79.9 | 0 | 0 | 0 | 110.5 | L32 K38 V39 L40 F59 V64 L65 L92 | L32-L36 HydrophobicContact CB-CD1 4.28Å; L32-L36 HydrophobicContact CD2-CD1 4.02Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CD1 3.46Å; L32-L36 PolarHBondContact O-N 3.23Å; L36-K38 PolarHBondContact O-N 3.35Å; L36-V39 PolarHBondContact O-N 2.92Å; L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.42Å; L36-F59 HydrophobicContact CB-CZ 4.31Å; L36-F59 HydrophobicContact CD1-CE1 4.42Å; L36-F59 HydrophobicContact CG-CD1 4.47Å; L36-F59 HydrophobicContact CG-CE1 4.01Å; L36-F59 HydrophobicContact CG-CE2 4.38Å; L36-F59 HydrophobicContact CG-CZ 3.98Å; L36-V64 HydrophobicContact CD1-CG1 3.75Å; L36-L65 HydrophobicContact CD2-CD2 4.38Å; L36-L92 HydrophobicContact CB-CB 4.31Å; L36-L92 HydrophobicContact CB-CD1 3.97Å; L36-L92 HydrophobicContact CD2-CB 3.87Å |
| 37 | N | 95.6 | Very high | 92.5 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 177.3 | -91.2 | -50.6 | 0 | 0 | 0 | 112.1 | N33 T35 V39 L40 N41 L92 | N33-N37 VanDerWaalsContact O-CB 3.23Å; N33-N37 WeakPolarHBondContact O-CB 3.35Å; N33-N37 PolarHBondContact O-N 2.87Å; N33-N37 VanDerWaalsContact O-N 3.08Å; N33-N37 PolarHBondContact O-ND2 3.39Å; T35-N37 PolarHBondContact O-N 2.85Å; N37-V39 VanDerWaalsContact C-N 3.35Å; N37-V39 PolarHBondContact O-N 3.44Å; N37-L40 PolarHBondContact O-N 2.95Å; N37-N41 WeakPolarHBondContact O-CB 3.34Å; N37-N41 VanDerWaalsContact O-CG 3.22Å; N37-N41 PolarHBondContact O-N 3.48Å; N37-N41 PolarHBondContact O-ND2 3Å; N37-L92 VanDerWaalsContact OD1-CD2 3.31Å; N37-L92 WeakPolarHBondContact OD1-CD2 3.49Å |
| 38 | K | 94.2 | Very high | 92.4 | Very high | 153 Ų | 153 | 53.2 Ų | 53.2 | 67% | 0.665 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.9 | -49.8 | -178.2 | -178.4 | -179.1 | 176.4 | -174.8 | 0 | 110.7 | E34 T35 L36 S42 | E34-K38 VanDerWaalsContact O-CB 3.23Å; E34-K38 WeakPolarHBondContact O-CB 3.26Å; E34-K38 PolarHBondContact O-N 3.39Å; T35-K38 PolarHBondContact O-N 2.95Å; L36-K38 PolarHBondContact O-N 3.35Å; K38-S42 WeakPolarHBondContact O-CB 3.38Å; K38-S42 PolarHBondContact O-N 2.95Å; K38-S42 PolarHBondContact O-OG 3.39Å; K38-S42 VanDerWaalsContact O-OG 3.08Å |
| 39 | V | 94.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.5 | -42.2 | -177.6 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | V10 M11 T35 L36 N37 S42 A43 A55 F59 | V10-V39 HydrophobicContact CG1-CG2 4.23Å; M11-V39 HydrophobicContact CE-CG1 4.1Å; T35-V39 HydrophobicContact CG2-CG2 4.38Å; T35-V39 WeakPolarHBondContact O-CB 3.21Å; T35-V39 WeakPolarHBondContact O-CG2 3.31Å; T35-V39 PolarHBondContact O-N 3.36Å; L36-V39 PolarHBondContact O-N 2.92Å; N37-V39 VanDerWaalsContact C-N 3.35Å; N37-V39 PolarHBondContact O-N 3.44Å; V39-S42 WeakPolarHBondContact CA-OG 3.41Å; V39-S42 PolarHBondContact O-OG 3.31Å; V39-A43 VanDerWaalsContact O-CB 3.24Å; V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 2.93Å; V39-A55 HydrophobicContact CG1-CB 3.97Å; V39-F59 HydrophobicContact CB-CE1 4.33Å; V39-F59 HydrophobicContact CB-CZ 3.8Å; V39-F59 HydrophobicContact CG1-CE1 4.25Å; V39-F59 HydrophobicContact CG1-CE2 4.42Å; V39-F59 HydrophobicContact CG1-CZ 3.71Å |
| 40 | L | 93.5 | Very high | 91.9 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.5 | -72.3 | 170.6 | 0 | 0 | 0 | 111.5 | L36 N37 A43 A44 L52 K56 F59 L92 | L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.42Å; N37-L40 PolarHBondContact O-N 2.95Å; L40-A43 PolarHBondContact O-N 3.31Å; L40-A44 VanDerWaalsContact O-CB 3.29Å; L40-A44 WeakPolarHBondContact O-CB 3.32Å; L40-A44 PolarHBondContact O-N 3.3Å; L40-L52 HydrophobicContact CD2-CD1 3.69Å; L40-K56 HydrophobicContact CD2-CG 3.94Å; L40-F59 HydrophobicContact CD1-CE2 4.45Å; L40-F59 HydrophobicContact CD2-CE2 3.8Å; L40-F59 HydrophobicContact CG-CE2 3.84Å; L40-F59 HydrophobicContact CG-CZ 4.34Å; L40-L92 HydrophobicContact CD1-CD2 4.11Å |
| 41 | N | 93.4 | Very high | 91.9 | Very high | 97 Ų | 97 | 56.4 Ų | 56.4 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 179.1 | -71.4 | -34.9 | 0 | 0 | 0 | 111.8 | N37 A43 A44 V45 | N37-N41 WeakPolarHBondContact O-CB 3.34Å; N37-N41 VanDerWaalsContact O-CG 3.22Å; N37-N41 PolarHBondContact O-N 3.48Å; N37-N41 PolarHBondContact O-ND2 3Å; N41-A43 VanDerWaalsContact C-N 3.3Å; N41-A43 PolarHBondContact O-N 3.04Å; N41-A44 PolarHBondContact O-N 3.44Å; N41-V45 WeakPolarHBondContact O-CG2 3.43Å; N41-V45 PolarHBondContact O-N 2.95Å |
| 42 | S | 91.7 | Very high | 91.8 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 174.8 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | K38 V39 V45 Q46 | K38-S42 WeakPolarHBondContact O-CB 3.38Å; K38-S42 PolarHBondContact O-N 2.95Å; K38-S42 PolarHBondContact O-OG 3.39Å; K38-S42 VanDerWaalsContact O-OG 3.08Å; V39-S42 WeakPolarHBondContact CA-OG 3.41Å; V39-S42 PolarHBondContact O-OG 3.31Å; S42-V45 WeakPolarHBondContact O-CG2 3.34Å; S42-Q46 WeakPolarHBondContact O-CG 3.23Å; S42-Q46 PolarHBondContact O-NE2 3.38Å |
| 43 | A | 91.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.5 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V39 L40 N41 V45 Q46 A51 L52 A55 | V39-A43 VanDerWaalsContact O-CB 3.24Å; V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 2.93Å; L40-A43 PolarHBondContact O-N 3.31Å; N41-A43 VanDerWaalsContact C-N 3.3Å; N41-A43 PolarHBondContact O-N 3.04Å; A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 3.4Å; A43-Q46 PolarHBondContact O-N 2.96Å; A43-A51 HydrophobicContact CB-CB 4.36Å; A43-L52 HydrophobicContact CB-CD1 4.26Å; A43-A55 HydrophobicContact CB-CB 3.94Å |
| 44 | A | 89 | Confident | 91.7 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 50% | 0.504 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.4 | -27.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L40 N41 | L40-A44 VanDerWaalsContact O-CB 3.29Å; L40-A44 WeakPolarHBondContact O-CB 3.32Å; L40-A44 PolarHBondContact O-N 3.3Å; N41-A44 PolarHBondContact O-N 3.44Å |
| 45 | V | 90.9 | Very high | 91.6 | Very high | 125 Ų | 125 | 57 Ų | 57 | 76% | 0.758 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -5.2 | 177.6 | -61 | 0 | 0 | 0 | 0 | 113.6 | N41 S42 A43 | N41-V45 WeakPolarHBondContact O-CG2 3.43Å; N41-V45 PolarHBondContact O-N 2.95Å; S42-V45 WeakPolarHBondContact O-CG2 3.34Å; A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 3.4Å |
| 46 | Q | 86.8 | Confident | 91.7 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -70.6 | 145.3 | 176.4 | -75.3 | 173.8 | 49.6 | 0 | 0 | 110.7 | S42 A43 D48 A51 | S42-Q46 WeakPolarHBondContact O-CG 3.23Å; S42-Q46 PolarHBondContact O-NE2 3.38Å; A43-Q46 PolarHBondContact O-N 2.96Å; Q46-D48 PolarHBondContact O-N 2.8Å; Q46-A51 HydrophobicContact CB-CB 3.86Å; Q46-A51 HydrophobicContact CG-CB 4.4Å |
| 47 | T | 83.8 | Confident | 91.7 | Very high | 154 Ų | 154 | 58.2 Ų | 58.2 | 95% | 0.945 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -70.8 | -19.3 | 175.1 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | S49 | T47-S49 PolarHBondContact O-N 3.16Š|
| 48 | D | 87.1 | Confident | 91.6 | Very high | 69 Ų | 69 | 57.7 Ų | 57.7 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | trans | -76.2 | 110.5 | 174.1 | -179 | -3.1 | 0 | 0 | 0 | 110.6 | Q46 G50 A51 R54 | Q46-D48 PolarHBondContact O-N 2.8Å; D48-G50 PolarHBondContact O-N 2.91Å; D48-G50 VanDerWaalsContact O-N 3.1Å; D48-G50 PolarHBondContact OD1-N 3.49Å; D48-A51 HydrophobicContact CB-CB 4.33Å; D48-A51 VanDerWaalsContact O-CB 3.27Å; D48-A51 WeakPolarHBondContact O-CB 3.13Å; D48-A51 PolarHBondContact O-N 3.39Å; D48-R54 IonicContact OD1-NH1 3.55Å; D48-R54 IonicContact OD2-CZ 3.14Å; D48-R54 IonicContact OD2-NH1 2.79Å; D48-R54 PolarHBondContact OD2-NH1 2.9Å; D48-R54 IonicContact OD2-NH2 2.63Å; D48-R54 PolarHBondContact OD2-NH2 3.44Å | ||
| 49 | S | 82.2 | Confident | 91.7 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 85% | 0.846 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21 | -179.8 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | T47 | T47-S49 PolarHBondContact O-N 3.16Š|
| 50 | G | 91.1 | Very high | 91.8 | Very high | 20 Ų | 20 | 51 Ų | 51 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -8.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D48 L52 T53 R54 | D48-G50 PolarHBondContact O-N 2.91Å; D48-G50 VanDerWaalsContact O-N 3.1Å; D48-G50 PolarHBondContact OD1-N 3.49Å; G50-L52 PolarHBondContact O-N 2.93Å; G50-T53 PolarHBondContact O-N 2.98Å; G50-R54 WeakPolarHBondContact O-CG 3.4Å; G50-R54 PolarHBondContact O-N 3.5Å |
| 51 | A | 92 | Very high | 91.9 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A43 Q46 D48 T53 R54 A55 | A43-A51 HydrophobicContact CB-CB 4.36Å; Q46-A51 HydrophobicContact CB-CB 3.86Å; Q46-A51 HydrophobicContact CG-CB 4.4Å; D48-A51 HydrophobicContact CB-CB 4.33Å; D48-A51 VanDerWaalsContact O-CB 3.27Å; D48-A51 WeakPolarHBondContact O-CB 3.13Å; D48-A51 PolarHBondContact O-N 3.39Å; A51-T53 PolarHBondContact O-N 2.81Å; A51-R54 PolarHBondContact O-N 3.24Å; A51-A55 PolarHBondContact O-N 3.16Å |
| 52 | L | 93.4 | Very high | 92 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.9 | -174.2 | 62 | 0 | 0 | 0 | 112.1 | L40 A43 G50 R54 A55 K56 | L40-L52 HydrophobicContact CD2-CD1 3.69Å; A43-L52 HydrophobicContact CB-CD1 4.26Å; G50-L52 PolarHBondContact O-N 2.93Å; L52-R54 VanDerWaalsContact C-N 3.34Å; L52-R54 PolarHBondContact O-N 2.81Å; L52-A55 PolarHBondContact O-N 3.13Å; L52-K56 HydrophobicContact CG-CD 4.37Å; L52-K56 WeakPolarHBondContact O-CB 3.38Å; L52-K56 VanDerWaalsContact O-CG 3.27Å; L52-K56 WeakPolarHBondContact O-CG 3.44Å; L52-K56 PolarHBondContact O-N 3.5Å |
| 53 | T | 95.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 175.8 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | G50 A51 K56 T57 G99 E101 | G50-T53 PolarHBondContact O-N 2.98Å; A51-T53 PolarHBondContact O-N 2.81Å; T53-K56 PolarHBondContact O-N 3.47Å; T53-T57 WeakPolarHBondContact O-CB 3.47Å; T53-T57 PolarHBondContact O-N 2.92Å; T53-T57 PolarHBondContact O-OG1 3.32Å; T53-G99 WeakPolarHBondContact CG2-O 3.39Å; T53-E101 HydrophobicContact CG2-CB 4.17Å; T53-E101 HydrophobicContact CG2-CG 3.71Å |
| 54 | R | 94.3 | Very high | 92.4 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 178.5 | -69.4 | -172.5 | -51.9 | -98.3 | 0.6 | 112.5 | D48 G50 A51 L52 K56 T57 R58 | D48-R54 IonicContact OD1-NH1 3.55Å; D48-R54 IonicContact OD2-CZ 3.14Å; D48-R54 IonicContact OD2-NH1 2.79Å; D48-R54 PolarHBondContact OD2-NH1 2.9Å; D48-R54 IonicContact OD2-NH2 2.63Å; D48-R54 PolarHBondContact OD2-NH2 3.44Å; G50-R54 WeakPolarHBondContact O-CG 3.4Å; G50-R54 PolarHBondContact O-N 3.5Å; A51-R54 PolarHBondContact O-N 3.24Å; L52-R54 VanDerWaalsContact C-N 3.34Å; L52-R54 PolarHBondContact O-N 2.81Å; R54-K56 VanDerWaalsContact C-N 3.34Å; R54-K56 PolarHBondContact O-N 2.97Å; R54-T57 PolarHBondContact O-N 3.07Å; R54-R58 WeakPolarHBondContact O-CG 3.44Å; R54-R58 PolarHBondContact O-N 3.29Å |
| 55 | A | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | V39 A43 A51 L52 R58 F59 | V39-A55 HydrophobicContact CG1-CB 3.97Å; A43-A55 HydrophobicContact CB-CB 3.94Å; A51-A55 PolarHBondContact O-N 3.16Å; L52-A55 PolarHBondContact O-N 3.13Å; A55-R58 PolarHBondContact O-N 3.02Å; A55-F59 WeakPolarHBondContact O-CD2 3.35Å; A55-F59 PolarHBondContact O-N 2.95Å |
| 56 | K | 95.9 | Very high | 93 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.8 | -71.6 | -179.4 | 178.4 | -174.4 | 0 | 112.9 | L40 L52 T53 R54 R58 F59 Y60 S95 S96 V98 A100 | L40-K56 HydrophobicContact CD2-CG 3.94Å; L52-K56 HydrophobicContact CG-CD 4.37Å; L52-K56 WeakPolarHBondContact O-CB 3.38Å; L52-K56 VanDerWaalsContact O-CG 3.27Å; L52-K56 WeakPolarHBondContact O-CG 3.44Å; L52-K56 PolarHBondContact O-N 3.5Å; T53-K56 PolarHBondContact O-N 3.47Å; R54-K56 VanDerWaalsContact C-N 3.34Å; R54-K56 PolarHBondContact O-N 2.97Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 3.35Å; K56-F59 PolarHBondContact O-N 3.38Å; K56-Y60 PolarHBondContact O-N 2.87Å; K56-S95 WeakPolarHBondContact CE-O 3.3Å; K56-S95 PolarHBondContact NZ-O 3.41Å; K56-S96 WeakPolarHBondContact CB-O 3.32Å; K56-V98 VanDerWaalsContact CD-O 3.28Å; K56-V98 WeakPolarHBondContact CD-O 3.24Å; K56-V98 PolarHBondContact NZ-O 2.79Å; K56-A100 HydrophobicContact CB-CB 4.1Å |
| 57 | T | 95.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -39.4 | 174.9 | -66 | 0 | 0 | 0 | 0 | 111.8 | T53 R54 Y60 H61 E101 | T53-T57 WeakPolarHBondContact O-CB 3.47Å; T53-T57 PolarHBondContact O-N 2.92Å; T53-T57 PolarHBondContact O-OG1 3.32Å; R54-T57 PolarHBondContact O-N 3.07Å; T57-Y60 PolarHBondContact O-N 3.37Å; T57-H61 VanDerWaalsContact CG2-CD2 3.47Å; T57-H61 WeakPolarHBondContact CG2-CD2 3.41Å; T57-H61 PolarHBondContact O-CD2 3.38Å; T57-H61 VanDerWaalsContact O-CD2 3.24Å; T57-H61 PolarHBondContact O-N 2.64Å; T57-E101 WeakPolarHBondContact CG2-O 3.43Å; T57-E101 WeakPolarHBondContact OG1-CA 3.49Å; T57-E101 PolarHBondContact OG1-N 2.9Å; T57-E101 PolarHBondContact OG1-O 3.17Å |
| 58 | R | 94.6 | Very high | 94 | Very high | 46 Ų | 46 | 33.6 Ų | 33.6 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 177.3 | -74.8 | -177.4 | -160.6 | 157.2 | 13 | 112.6 | E7 M11 R54 A55 K56 Y60 H61 S62 | E7-R58 IonicContact OE2-CZ 3.52Å; E7-R58 IonicContact OE2-NH1 2.62Å; E7-R58 PolarHBondContact OE2-NH1 3.13Å; E7-R58 IonicContact OE2-NH2 3.86Å; M11-R58 HydrophobicContact CE-CB 4.24Å; R54-R58 WeakPolarHBondContact O-CG 3.44Å; R54-R58 PolarHBondContact O-N 3.29Å; A55-R58 PolarHBondContact O-N 3.02Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 3.35Å; R58-Y60 PolarHBondContact O-N 3.02Å; R58-H61 PolarHBondContact O-N 3.01Å; R58-H61 VanDerWaalsContact O-N 3.12Å; R58-S62 WeakPolarHBondContact O-CB 3.37Å; R58-S62 PolarHBondContact O-N 3.33Å; R58-S62 PolarHBondContact O-OG 3.25Å |
| 59 | F | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.7 | -37.2 | 174.9 | -66.2 | -52.5 | 0 | 0 | 0 | 112.3 | M11 L36 V39 L40 A55 K56 S62 V64 L65 | M11-F59 HydrophobicContact CE-CD1 3.19Å; M11-F59 HydrophobicContact CE-CE1 3.18Å; M11-F59 HydrophobicContact CE-CG 4.02Å; M11-F59 HydrophobicContact CE-CZ 3.98Å; M11-F59 HydrophobicContact SD-CD1 3.56Å; M11-F59 VanDerWaalsContact SD-CD1 3.56Å; M11-F59 HydrophobicContact SD-CE1 3.72Å; L36-F59 HydrophobicContact CB-CZ 4.31Å; L36-F59 HydrophobicContact CD1-CE1 4.42Å; L36-F59 HydrophobicContact CG-CD1 4.47Å; L36-F59 HydrophobicContact CG-CE1 4.01Å; L36-F59 HydrophobicContact CG-CE2 4.38Å; L36-F59 HydrophobicContact CG-CZ 3.98Å; V39-F59 HydrophobicContact CB-CE1 4.33Å; V39-F59 HydrophobicContact CB-CZ 3.8Å; V39-F59 HydrophobicContact CG1-CE1 4.25Å; V39-F59 HydrophobicContact CG1-CE2 4.42Å; V39-F59 HydrophobicContact CG1-CZ 3.71Å; L40-F59 HydrophobicContact CD1-CE2 4.45Å; L40-F59 HydrophobicContact CD2-CE2 3.8Å; L40-F59 HydrophobicContact CG-CE2 3.84Å; L40-F59 HydrophobicContact CG-CZ 4.34Å; A55-F59 WeakPolarHBondContact O-CD2 3.35Å; A55-F59 PolarHBondContact O-N 2.95Å; K56-F59 PolarHBondContact O-N 3.38Å; F59-S62 PolarHBondContact O-OG 3.46Å; F59-V64 HydrophobicContact CB-CB 4.45Å; F59-V64 HydrophobicContact CD1-CB 4.26Å; F59-V64 HydrophobicContact CD1-CG1 3.93Å; F59-V64 PolarHBondContact O-N 3.02Å; F59-V64 VanDerWaalsContact O-N 3.11Å; F59-L65 HydrophobicContact CB-CD1 4.2Å; F59-L65 HydrophobicContact CB-CD2 3.7Å; F59-L65 HydrophobicContact CB-CG 3.61Å; F59-L65 HydrophobicContact CG-CD2 4.36Å; F59-L65 PolarHBondContact O-N 3.33Å; F59-L65 VanDerWaalsContact O-N 3.14Å |
| 60 | Y | 96.6 | Very high | 95 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.9 | -47.8 | 175.5 | 176.9 | -119.2 | 0 | 0 | 0 | 111.9 | K56 T57 R58 S62 G63 P102 R105 F109 F113 | K56-Y60 PolarHBondContact O-N 2.87Å; T57-Y60 PolarHBondContact O-N 3.37Å; R58-Y60 PolarHBondContact O-N 3.02Å; Y60-S62 PolarHBondContact O-N 3.31Å; Y60-G63 PolarHBondContact O-N 3.45Å; Y60-P102 HydrophobicContact CD1-CB 3.7Å; Y60-P102 HydrophobicContact CE1-CB 3.57Å; Y60-R105 HydrophobicContact CE1-CB 3.76Å; Y60-F109 AromaticContact CD1-CD2 3.84Å; Y60-F109 HydrophobicContact CD1-CD2 3.84Å; Y60-F109 HydrophobicContact CD1-CE2 4.44Å; Y60-F109 AromaticContact CD2-CD2 3.65Å; Y60-F109 HydrophobicContact CD2-CD2 3.65Å; Y60-F109 HydrophobicContact CD2-CE2 4.03Å; Y60-F109 HydrophobicContact CE1-CB 3.93Å; Y60-F109 AromaticContact CE1-CD2 3.77Å; Y60-F109 HydrophobicContact CE1-CD2 3.77Å; Y60-F109 HydrophobicContact CE1-CG 4.27Å; Y60-F109 HydrophobicContact CE2-CB 4.5Å; Y60-F109 AromaticContact CE2-CD2 3.62Å; Y60-F109 HydrophobicContact CE2-CD2 3.62Å; Y60-F109 HydrophobicContact CE2-CE2 4.41Å; Y60-F109 AromaticContact CG-CD2 3.76Å; Y60-F109 HydrophobicContact CG-CD2 3.76Å; Y60-F109 HydrophobicContact CG-CE2 4.05Å; Y60-F109 AromaticContact CZ-CD2 3.66Å; Y60-F109 WeakPolarHBondContact OH-CA 3.47Å; Y60-F109 PolarHBondContact OH-N 3.25Å; Y60-F113 HydrophobicContact CD2-CD1 4.05Å; Y60-F113 HydrophobicContact CD2-CE1 4.29Å; Y60-F113 HydrophobicContact CD2-CG 4.25Å; Y60-F113 HydrophobicContact CE2-CB 4.07Å; Y60-F113 AromaticContact CE2-CD1 3.99Å; Y60-F113 HydrophobicContact CE2-CD1 3.99Å; Y60-F113 HydrophobicContact CE2-CD2 4.28Å; Y60-F113 AromaticContact CE2-CG 3.81Å; Y60-F113 HydrophobicContact CE2-CG 3.81Å |
| 61 | H | 95 | Very high | 95.1 | Very high | 75 Ų | 75 | 30.9 Ų | 30.9 | 35% | 0.347 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.6 | -34.4 | -176.7 | -79.9 | -62.3 | 0 | 0 | 0 | 114.2 | T57 R58 G63 P102 R105 | T57-H61 VanDerWaalsContact CG2-CD2 3.47Å; T57-H61 WeakPolarHBondContact CG2-CD2 3.41Å; T57-H61 PolarHBondContact O-CD2 3.38Å; T57-H61 VanDerWaalsContact O-CD2 3.24Å; T57-H61 PolarHBondContact O-N 2.64Å; R58-H61 PolarHBondContact O-N 3.01Å; R58-H61 VanDerWaalsContact O-N 3.12Å; H61-G63 VanDerWaalsContact C-N 3.26Å; H61-G63 PolarHBondContact O-N 3.19Å; H61-P102 PolarHBondContact CE1-O 3.03Å; H61-P102 PolarHBondContact NE2-O 3.34Å; H61-R105 PolarHBondContact O-NH1 2.99Å |
| 62 | S | 94.4 | Very high | 95.2 | Very high | 39 Ų | 39 | 30.9 Ų | 30.9 | 27% | 0.273 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14 | 176.9 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | R58 F59 Y60 V64 | R58-S62 WeakPolarHBondContact O-CB 3.37Å; R58-S62 PolarHBondContact O-N 3.33Å; R58-S62 PolarHBondContact O-OG 3.25Å; F59-S62 PolarHBondContact O-OG 3.46Å; Y60-S62 PolarHBondContact O-N 3.31Å; S62-V64 VanDerWaalsContact C-N 3.34Å; S62-V64 VanDerWaalsContact OG-CG2 3.26Å; S62-V64 WeakPolarHBondContact OG-CG2 3.38Å |
| 63 | G | 94.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 19% | 0.186 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 1.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y60 H61 L65 S66 H67 | Y60-G63 PolarHBondContact O-N 3.45Å; H61-G63 VanDerWaalsContact C-N 3.26Å; H61-G63 PolarHBondContact O-N 3.19Å; G63-L65 VanDerWaalsContact C-N 3.33Å; G63-L65 PolarHBondContact O-N 3.24Å; G63-S66 WeakPolarHBondContact O-CB 3.29Å; G63-S66 PolarHBondContact O-N 3.02Å; G63-S66 VanDerWaalsContact O-N 3.13Å; G63-H67 PolarHBondContact O-N 3.47Å |
| 64 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | M11 L14 M15 L32 L36 F59 S62 S66 H67 C68 | M11-V64 HydrophobicContact SD-CG2 4.25Å; L14-V64 HydrophobicContact CD2-CB 4.45Å; L14-V64 HydrophobicContact CD2-CG1 3.85Å; L14-V64 HydrophobicContact CD2-CG2 3.66Å; L14-V64 HydrophobicContact CG-CG2 4.38Å; M15-V64 HydrophobicContact CG-CG2 4.03Å; M15-V64 HydrophobicContact SD-CG2 3.76Å; L32-V64 HydrophobicContact CD2-CG1 3.99Å; L36-V64 HydrophobicContact CD1-CG1 3.75Å; F59-V64 HydrophobicContact CB-CB 4.45Å; F59-V64 HydrophobicContact CD1-CB 4.26Å; F59-V64 HydrophobicContact CD1-CG1 3.93Å; F59-V64 PolarHBondContact O-N 3.02Å; F59-V64 VanDerWaalsContact O-N 3.11Å; S62-V64 VanDerWaalsContact C-N 3.34Å; S62-V64 VanDerWaalsContact OG-CG2 3.26Å; S62-V64 WeakPolarHBondContact OG-CG2 3.38Å; V64-S66 VanDerWaalsContact C-N 3.32Å; V64-S66 PolarHBondContact O-N 3.5Å; V64-H67 WeakPolarHBondContact O-CA 3.48Å; V64-H67 WeakPolarHBondContact O-CB 3.34Å; V64-H67 PolarHBondContact O-N 3.15Å; V64-C68 PolarHBondContact O-N 3.43Å; V64-C68 PolarHBondContact O-SG 3.12Å |
| 65 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -35.3 | 178 | -59.2 | -175.8 | 0 | 0 | 0 | 112.7 | L36 F59 G63 H67 C68 V69 F113 | L36-L65 HydrophobicContact CD2-CD2 4.38Å; F59-L65 HydrophobicContact CB-CD1 4.2Å; F59-L65 HydrophobicContact CB-CD2 3.7Å; F59-L65 HydrophobicContact CB-CG 3.61Å; F59-L65 HydrophobicContact CG-CD2 4.36Å; F59-L65 PolarHBondContact O-N 3.33Å; F59-L65 VanDerWaalsContact O-N 3.14Å; G63-L65 VanDerWaalsContact C-N 3.33Å; G63-L65 PolarHBondContact O-N 3.24Å; L65-H67 PolarHBondContact O-N 3.34Å; L65-C68 WeakPolarHBondContact O-CB 3.17Å; L65-C68 PolarHBondContact O-N 3.28Å; L65-V69 PolarHBondContact O-N 3.25Å; L65-F113 HydrophobicContact CB-CE1 4.07Å; L65-F113 HydrophobicContact CB-CE2 4.18Å; L65-F113 HydrophobicContact CB-CZ 3.43Å; L65-F113 VanDerWaalsContact CB-CZ 3.43Å; L65-F113 HydrophobicContact CD1-CE1 4.07Å; L65-F113 HydrophobicContact CD1-CZ 4.29Å; L65-F113 HydrophobicContact CG-CZ 4.49Å |
| 66 | S | 95.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 31 Ų | 31 | 41% | 0.413 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.1 | -35.1 | 172.7 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | G63 V64 V69 R70 | G63-S66 WeakPolarHBondContact O-CB 3.29Å; G63-S66 PolarHBondContact O-N 3.02Å; G63-S66 VanDerWaalsContact O-N 3.13Å; V64-S66 VanDerWaalsContact C-N 3.32Å; V64-S66 PolarHBondContact O-N 3.5Å; S66-V69 PolarHBondContact O-N 3.47Å; S66-R70 PolarHBondContact O-N 3.44Å |
| 67 | H | 95.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -41.6 | 174.6 | -137.9 | 92.3 | 0 | 0 | 0 | 112.5 | L18 G63 V64 L65 V69 R70 V71 | L18-H67 HydrophobicContact CD1-CB 4.11Å; G63-H67 PolarHBondContact O-N 3.47Å; V64-H67 WeakPolarHBondContact O-CA 3.48Å; V64-H67 WeakPolarHBondContact O-CB 3.34Å; V64-H67 PolarHBondContact O-N 3.15Å; L65-H67 PolarHBondContact O-N 3.34Å; H67-V69 VanDerWaalsContact C-N 3.31Å; H67-V69 PolarHBondContact O-N 2.87Å; H67-R70 PolarHBondContact CE1-NH2 3.14Å; H67-R70 PolarHBondContact NE2-NH2 3.33Å; H67-R70 WeakPolarHBondContact O-CB 3.25Å; H67-R70 PolarHBondContact O-N 2.98Å; H67-R70 VanDerWaalsContact O-N 3.15Å; H67-V71 WeakPolarHBondContact O-CG2 3.34Å; H67-V71 PolarHBondContact O-N 3.21Å |
| 68 | C | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.9 | -47.8 | 173 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | V64 L65 R70 V71 L72 L89 T93 | V64-C68 PolarHBondContact O-N 3.43Å; V64-C68 PolarHBondContact O-SG 3.12Å; L65-C68 WeakPolarHBondContact O-CB 3.17Å; L65-C68 PolarHBondContact O-N 3.28Å; C68-R70 VanDerWaalsContact C-N 3.33Å; C68-R70 PolarHBondContact O-N 3.3Å; C68-V71 PolarHBondContact O-N 3.26Å; C68-L72 WeakPolarHBondContact O-CB 3.25Å; C68-L72 VanDerWaalsContact O-CG 3.26Å; C68-L72 WeakPolarHBondContact O-CG 3.49Å; C68-L72 PolarHBondContact O-N 3.2Å; C68-L89 HydrophobicContact CB-CD1 4.11Å; C68-L89 HydrophobicContact CB-CG 4.35Å; C68-T93 HydrophobicContact CB-CG2 4.11Å; C68-T93 WeakPolarHBondContact CB-OG1 3.46Å |
| 69 | V | 96.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | L65 S66 H67 V71 L72 S73 F113 V117 V120 | L65-V69 PolarHBondContact O-N 3.25Å; S66-V69 PolarHBondContact O-N 3.47Å; H67-V69 VanDerWaalsContact C-N 3.31Å; H67-V69 PolarHBondContact O-N 2.87Å; V69-V71 PolarHBondContact O-N 3.04Å; V69-L72 PolarHBondContact O-N 3.15Å; V69-S73 WeakPolarHBondContact O-CB 3.39Å; V69-S73 PolarHBondContact O-N 3.12Å; V69-S73 PolarHBondContact O-OG 3.47Å; V69-F113 HydrophobicContact CG2-CE2 3.93Å; V69-F113 HydrophobicContact CG2-CZ 4.14Å; V69-V117 HydrophobicContact CG2-CG2 3.67Å; V69-V120 HydrophobicContact CG1-CB 4.44Å; V69-V120 HydrophobicContact CG1-CG1 4.15Å; V69-V120 HydrophobicContact CG2-CG1 4.4Å |
| 70 | R | 94.8 | Very high | 89.9 | Confident | 136 Ų | 136 | 47 Ų | 47 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 178.7 | -173.2 | 177.6 | 77 | 164.7 | 20.2 | 112.5 | S66 H67 C68 S73 | S66-R70 PolarHBondContact O-N 3.44Å; H67-R70 PolarHBondContact CE1-NH2 3.14Å; H67-R70 PolarHBondContact NE2-NH2 3.33Å; H67-R70 WeakPolarHBondContact O-CB 3.25Å; H67-R70 PolarHBondContact O-N 2.98Å; H67-R70 VanDerWaalsContact O-N 3.15Å; C68-R70 VanDerWaalsContact C-N 3.33Å; C68-R70 PolarHBondContact O-N 3.3Å; R70-S73 PolarHBondContact O-N 3.07Å |
| 71 | V | 93.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.4 | -40.7 | -179.1 | 176 | 0 | 0 | 0 | 0 | 111.2 | Q28 M29 L32 H67 C68 V69 S73 L74 L89 | Q28-V71 HydrophobicContact CB-CG2 4.32Å; M29-V71 HydrophobicContact CB-CG1 4.41Å; M29-V71 HydrophobicContact CG-CG1 3.19Å; M29-V71 HydrophobicContact SD-CG1 4.14Å; L32-V71 HydrophobicContact CD1-CB 4.46Å; L32-V71 HydrophobicContact CD1-CG2 4.1Å; H67-V71 WeakPolarHBondContact O-CG2 3.34Å; H67-V71 PolarHBondContact O-N 3.21Å; C68-V71 PolarHBondContact O-N 3.26Å; V69-V71 PolarHBondContact O-N 3.04Å; V71-S73 PolarHBondContact O-N 3.15Å; V71-L74 HydrophobicContact CG1-CD1 4.25Å; V71-L74 VanDerWaalsContact O-CB 3.32Å; V71-L74 WeakPolarHBondContact O-CB 3.25Å; V71-L74 WeakPolarHBondContact O-CD1 3.42Å; V71-L74 WeakPolarHBondContact O-CG 3.04Å; V71-L74 PolarHBondContact O-N 2.99Å; V71-L89 HydrophobicContact CB-CD2 4.44Å; V71-L89 HydrophobicContact CG1-CD2 4.27Å |
| 72 | L | 93.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.7 | -25.2 | 175.3 | -69.9 | 171.7 | 0 | 0 | 0 | 112.8 | C68 V69 L74 A86 L89 A90 V120 L124 | C68-L72 WeakPolarHBondContact O-CB 3.25Å; C68-L72 VanDerWaalsContact O-CG 3.26Å; C68-L72 WeakPolarHBondContact O-CG 3.49Å; C68-L72 PolarHBondContact O-N 3.2Å; V69-L72 PolarHBondContact O-N 3.15Å; L72-L74 PolarHBondContact O-N 3.33Å; L72-A86 HydrophobicContact CD2-CB 4.27Å; L72-A86 WeakPolarHBondContact CD2-O 3.39Å; L72-L89 HydrophobicContact CD1-CG 4.22Å; L72-L89 HydrophobicContact CD2-CB 4.09Å; L72-L89 HydrophobicContact CD2-CD2 4.06Å; L72-L89 HydrophobicContact CD2-CG 4.16Å; L72-L89 HydrophobicContact CG-CD2 3.96Å; L72-L89 HydrophobicContact CG-CG 4.13Å; L72-A90 HydrophobicContact CD1-CB 4.39Å; L72-A90 HydrophobicContact CD2-CB 4.48Å; L72-V120 HydrophobicContact CB-CG1 4.27Å; L72-V120 HydrophobicContact CB-CG2 3.42Å; L72-V120 VanDerWaalsContact CB-CG2 3.42Å; L72-V120 HydrophobicContact CD1-CG1 4.42Å; L72-V120 WeakPolarHBondContact O-CG2 3.4Å; L72-L124 HydrophobicContact CD2-CD2 4.17Å |
| 73 | S | 92 | Very high | 88.4 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 49% | 0.49 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -0.4 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | V69 R70 V71 V120 | V69-S73 WeakPolarHBondContact O-CB 3.39Å; V69-S73 PolarHBondContact O-N 3.12Å; V69-S73 PolarHBondContact O-OG 3.47Å; R70-S73 PolarHBondContact O-N 3.07Å; V71-S73 PolarHBondContact O-N 3.15Å; S73-V120 VanDerWaalsContact N-CG2 3.32Å; S73-V120 VanDerWaalsContact OG-CG2 3.27Å; S73-V120 WeakPolarHBondContact OG-CG2 3.21Å |
| 74 | L | 87.4 | Confident | 88.3 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.12 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -69 | 149 | -179.8 | -65.3 | 174.5 | 0 | 0 | 0 | 111.3 | P25 V71 L72 R78 L79 | P25-L74 HydrophobicContact CB-CD1 3.51Å; P25-L74 HydrophobicContact CG-CD1 3.88Å; V71-L74 HydrophobicContact CG1-CD1 4.25Å; V71-L74 VanDerWaalsContact O-CB 3.32Å; V71-L74 WeakPolarHBondContact O-CB 3.25Å; V71-L74 WeakPolarHBondContact O-CD1 3.42Å; V71-L74 WeakPolarHBondContact O-CG 3.04Å; V71-L74 PolarHBondContact O-N 2.99Å; L72-L74 PolarHBondContact O-N 3.33Å; L74-R78 HydrophobicContact CB-CB 4.17Å; L74-L79 HydrophobicContact CB-CD2 4.29Å; L74-L79 HydrophobicContact CB-CG 4.42Å |
| 75 | S | 81.7 | Confident | 88.2 | Confident | 41 Ų | 41 | 47 Ų | 47 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | trans | -61.2 | 149.8 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | S77 R78 L79 | S75-S77 PolarHBondContact O-N 3.49Å; S75-S77 PolarHBondContact OG-OG 2.89Å; S75-R78 WeakPolarHBondContact O-CA 3.35Å; S75-R78 WeakPolarHBondContact O-CB 3.23Å; S75-R78 PolarHBondContact O-N 3.28Å; S75-R78 PolarHBondContact OG-NE 3.39Å; S75-L79 PolarHBondContact O-N 2.94Å | ||
| 76 | P | 78.4 | Confident | 88.1 | Confident | 48 Ų | 48 | 47 Ų | 47 | 31% | 0.312 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -49.2 | -38.1 | 177.2 | -30.4 | 33.5 | 0 | 0 | 0 | 114.2 | R78 L79 R80 W83 Q127 | P76-R78 VanDerWaalsContact C-N 3.25Å; P76-R78 PolarHBondContact O-N 3.48Å; P76-L79 PolarHBondContact O-N 2.93Å; P76-R80 PolarHBondContact O-N 3.42Å; P76-W83 HydrophobicContact CB-CH2 3.81Å; P76-W83 HydrophobicContact CB-CZ2 4.22Å; P76-W83 HydrophobicContact CG-CH2 4.26Å; P76-Q127 HydrophobicContact CG-CG 4.21Å |
| 77 | S | 79 | Confident | 88.1 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 66% | 0.664 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.2 | -33 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | S75 | S75-S77 PolarHBondContact O-N 3.49Å; S75-S77 PolarHBondContact OG-OG 2.89Å |
| 78 | R | 78.8 | Confident | 88.2 | Confident | 139 Ų | 139 | 46.5 Ų | 46.5 | 53% | 0.525 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -84.2 | -25 | 178.6 | -71.5 | -164.7 | -75.1 | -160.6 | 4.3 | 112.8 | L74 S75 P76 R80 | L74-R78 HydrophobicContact CB-CB 4.17Å; S75-R78 WeakPolarHBondContact O-CA 3.35Å; S75-R78 WeakPolarHBondContact O-CB 3.23Å; S75-R78 PolarHBondContact O-N 3.28Å; S75-R78 PolarHBondContact OG-NE 3.39Å; P76-R78 VanDerWaalsContact C-N 3.25Å; P76-R78 PolarHBondContact O-N 3.48Å; R78-R80 PolarHBondContact O-N 3.37Å |
| 79 | L | 74.2 | Confident | 88.3 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.7 | -12.9 | 173 | -65 | 175.5 | 0 | 0 | 0 | 113 | M29 L74 S75 P76 G81 N82 W83 | M29-L79 HydrophobicContact CE-CD2 4.33Å; M29-L79 HydrophobicContact SD-CD2 3.81Å; L74-L79 HydrophobicContact CB-CD2 4.29Å; L74-L79 HydrophobicContact CB-CG 4.42Å; S75-L79 PolarHBondContact O-N 2.94Å; P76-L79 PolarHBondContact O-N 2.93Å; L79-G81 PolarHBondContact O-N 3.03Å; L79-N82 PolarHBondContact O-N 2.67Å; L79-W83 HydrophobicContact CD1-CE3 4.27Å; L79-W83 HydrophobicContact CD1-CH2 4.14Å; L79-W83 HydrophobicContact CD1-CZ3 3.6Å |
| 80 | R | 76.8 | Confident | 88.3 | Confident | 191 Ų | 191 | 45.7 Ų | 45.7 | 72% | 0.721 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 23 | 175.7 | -67.4 | -174.3 | 175 | 167.2 | -0.4 | 115.2 | P76 R78 | P76-R80 PolarHBondContact O-N 3.42Å; R78-R80 PolarHBondContact O-N 3.37Å |
| 81 | G | 75.3 | Confident | 88.5 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 8.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L79 W83 | L79-G81 PolarHBondContact O-N 3.03Å; G81-W83 VanDerWaalsContact O-CD1 3.24Å; G81-W83 PolarHBondContact O-N 2.98Å |
| 82 | N | 86.8 | Confident | 88.7 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | trans | -80.7 | 59.9 | 175 | -166.8 | -7.3 | 0 | 0 | 0 | 112.1 | E26 M29 L79 A84 S85 A86 | E26-N82 PolarHBondContact OE1-ND2 3.42Å; M29-N82 HydrophobicContact CE-CB 3.85Å; L79-N82 PolarHBondContact O-N 2.67Å; N82-A84 VanDerWaalsContact C-N 3.32Å; N82-A84 PolarHBondContact O-N 3.21Å; N82-S85 PolarHBondContact ND2-OG 3.44Å; N82-S85 VanDerWaalsContact ND2-OG 3.16Å; N82-S85 PolarHBondContact O-N 2.93Å; N82-S85 WeakPolarHBondContact OD1-CB 3.43Å; N82-S85 PolarHBondContact OD1-N 3.17Å; N82-S85 VanDerWaalsContact OD1-N 3.14Å; N82-S85 PolarHBondContact OD1-OG 3.17Å; N82-A86 PolarHBondContact O-N 3.31Å; N82-A86 VanDerWaalsContact O-N 3.13Å | ||
| 83 | W | 91.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.6 | -28.9 | -177.5 | -57.4 | 117.8 | 0 | 0 | 0 | 113.2 | P76 L79 G81 A86 A87 L124 Q127 L128 E133 L137 | P76-W83 HydrophobicContact CB-CH2 3.81Å; P76-W83 HydrophobicContact CB-CZ2 4.22Å; P76-W83 HydrophobicContact CG-CH2 4.26Å; L79-W83 HydrophobicContact CD1-CE3 4.27Å; L79-W83 HydrophobicContact CD1-CH2 4.14Å; L79-W83 HydrophobicContact CD1-CZ3 3.6Å; G81-W83 VanDerWaalsContact O-CD1 3.24Å; G81-W83 PolarHBondContact O-N 2.98Å; W83-A86 PolarHBondContact O-N 3.44Å; W83-A87 VanDerWaalsContact O-CB 3.3Å; W83-A87 WeakPolarHBondContact O-CB 3.37Å; W83-A87 PolarHBondContact O-N 3.44Å; W83-L124 HydrophobicContact CE3-CD1 3.98Å; W83-L124 HydrophobicContact CZ3-CD1 3.95Å; W83-Q127 HydrophobicContact CH2-CB 4.37Å; W83-Q127 HydrophobicContact CZ3-CB 4.3Å; W83-L128 HydrophobicContact CB-CD2 3.91Å; W83-L128 HydrophobicContact CD2-CD2 4.09Å; W83-L128 HydrophobicContact CE3-CD2 3.97Å; W83-L128 HydrophobicContact CG-CD2 4.08Å; W83-E133 HydrophobicContact CG-CG 4.27Å; W83-E133 VanDerWaalsContact NE1-CD 3.33Å; W83-E133 PolarHBondContact NE1-OE1 3.19Å; W83-L137 HydrophobicContact CB-CD1 3.75Å |
| 84 | A | 93.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 40 Ų | 40 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N82 A87 T88 L137 | N82-A84 VanDerWaalsContact C-N 3.32Å; N82-A84 PolarHBondContact O-N 3.21Å; A84-A87 PolarHBondContact O-N 3.45Å; A84-T88 WeakPolarHBondContact O-CB 3.3Å; A84-T88 PolarHBondContact O-N 3.24Å; A84-T88 PolarHBondContact O-OG1 2.96Å; A84-L137 HydrophobicContact CB-CD2 4.21Å |
| 85 | S | 93.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -36.8 | 174 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | N33 N82 T88 L89 | N33-S85 PolarHBondContact ND2-O 3.41Å; N82-S85 PolarHBondContact ND2-OG 3.44Å; N82-S85 VanDerWaalsContact ND2-OG 3.16Å; N82-S85 PolarHBondContact O-N 2.93Å; N82-S85 WeakPolarHBondContact OD1-CB 3.43Å; N82-S85 PolarHBondContact OD1-N 3.17Å; N82-S85 VanDerWaalsContact OD1-N 3.14Å; N82-S85 PolarHBondContact OD1-OG 3.17Å; S85-T88 PolarHBondContact O-N 3.41Å; S85-L89 WeakPolarHBondContact O-CB 3.32Å; S85-L89 PolarHBondContact O-N 2.88Å |
| 86 | A | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M29 L72 N82 W83 T88 L89 A90 L124 | M29-A86 HydrophobicContact SD-CB 4.03Å; L72-A86 HydrophobicContact CD2-CB 4.27Å; L72-A86 WeakPolarHBondContact CD2-O 3.39Å; N82-A86 PolarHBondContact O-N 3.31Å; N82-A86 VanDerWaalsContact O-N 3.13Å; W83-A86 PolarHBondContact O-N 3.44Å; A86-T88 VanDerWaalsContact C-N 3.32Å; A86-T88 PolarHBondContact O-N 2.86Å; A86-L89 PolarHBondContact O-N 3.49Å; A86-A90 WeakPolarHBondContact O-CB 3.34Å; A86-A90 PolarHBondContact O-N 3.48Å; A86-L124 HydrophobicContact CB-CD1 4.14Å; A86-L124 HydrophobicContact CB-CD2 4.21Å |
| 87 | A | 96.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | W83 A84 A90 H91 L137 T140 V141 | W83-A87 VanDerWaalsContact O-CB 3.3Å; W83-A87 WeakPolarHBondContact O-CB 3.37Å; W83-A87 PolarHBondContact O-N 3.44Å; A84-A87 PolarHBondContact O-N 3.45Å; A87-A90 WeakPolarHBondContact O-CB 3.09Å; A87-A90 PolarHBondContact O-N 3.19Å; A87-H91 PolarHBondContact O-N 3.01Å; A87-L137 HydrophobicContact CB-CB 4.42Å; A87-L137 HydrophobicContact CB-CD2 4.17Å; A87-T140 HydrophobicContact CB-CG2 4.23Å; A87-T140 WeakPolarHBondContact O-CG2 3.35Å; A87-V141 HydrophobicContact CB-CG2 3.99Å |
| 88 | T | 97.2 | Very high | 92.1 | Very high | 57 Ų | 57 | 32 Ų | 32 | 35% | 0.35 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 174.1 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | A84 S85 A86 A90 H91 L92 | A84-T88 WeakPolarHBondContact O-CB 3.3Å; A84-T88 PolarHBondContact O-N 3.24Å; A84-T88 PolarHBondContact O-OG1 2.96Å; S85-T88 PolarHBondContact O-N 3.41Å; A86-T88 VanDerWaalsContact C-N 3.32Å; A86-T88 PolarHBondContact O-N 2.86Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.4Å; T88-H91 WeakPolarHBondContact O-CB 3.47Å; T88-H91 PolarHBondContact O-N 3.35Å; T88-L92 HydrophobicContact CG2-CD1 4.13Å; T88-L92 HydrophobicContact CG2-CG 4.47Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.07Å |
| 89 | L | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 179.6 | -176.3 | 60.4 | 0 | 0 | 0 | 111.4 | M29 L32 N33 C68 V71 L72 S85 A86 L92 T93 | M29-L89 HydrophobicContact CG-CD2 4.05Å; L32-L89 HydrophobicContact CB-CD1 3.76Å; L32-L89 HydrophobicContact CD1-CD1 4.34Å; L32-L89 HydrophobicContact CD1-CD2 4.05Å; N33-L89 WeakPolarHBondContact OD1-CA 3.44Å; N33-L89 VanDerWaalsContact OD1-CB 3.32Å; N33-L89 WeakPolarHBondContact OD1-CB 3.35Å; N33-L89 PolarHBondContact OD1-N 3.04Å; C68-L89 HydrophobicContact CB-CD1 4.11Å; C68-L89 HydrophobicContact CB-CG 4.35Å; V71-L89 HydrophobicContact CB-CD2 4.44Å; V71-L89 HydrophobicContact CG1-CD2 4.27Å; L72-L89 HydrophobicContact CD1-CG 4.22Å; L72-L89 HydrophobicContact CD2-CB 4.09Å; L72-L89 HydrophobicContact CD2-CD2 4.06Å; L72-L89 HydrophobicContact CD2-CG 4.16Å; L72-L89 HydrophobicContact CG-CD2 3.96Å; L72-L89 HydrophobicContact CG-CG 4.13Å; S85-L89 WeakPolarHBondContact O-CB 3.32Å; S85-L89 PolarHBondContact O-N 2.88Å; A86-L89 PolarHBondContact O-N 3.49Å; L89-L92 PolarHBondContact O-N 3.08Å; L89-T93 VanDerWaalsContact O-CB 3.25Å; L89-T93 WeakPolarHBondContact O-CB 3.3Å; L89-T93 PolarHBondContact O-N 3.48Å; L89-T93 PolarHBondContact O-OG1 3.23Å |
| 90 | A | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.2 | -48.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L72 A86 A87 T88 T93 S94 L121 L124 V141 | L72-A90 HydrophobicContact CD1-CB 4.39Å; L72-A90 HydrophobicContact CD2-CB 4.48Å; A86-A90 WeakPolarHBondContact O-CB 3.34Å; A86-A90 PolarHBondContact O-N 3.48Å; A87-A90 WeakPolarHBondContact O-CB 3.09Å; A87-A90 PolarHBondContact O-N 3.19Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.4Å; A90-T93 PolarHBondContact O-N 2.86Å; A90-S94 PolarHBondContact O-N 3.33Å; A90-L121 HydrophobicContact CB-CD2 3.27Å; A90-L124 HydrophobicContact CB-CD2 3.94Å; A90-V141 HydrophobicContact CB-CG2 4.31Å |
| 91 | H | 98.1 | Very high | 94.7 | Very high | 83 Ų | 83 | 25.2 Ų | 25.2 | 38% | 0.384 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 177.2 | 175.5 | 71.6 | 0 | 0 | 0 | 112.7 | A87 T88 S94 S95 T140 | A87-H91 PolarHBondContact O-N 3.01Å; T88-H91 WeakPolarHBondContact O-CB 3.47Å; T88-H91 PolarHBondContact O-N 3.35Å; H91-S94 PolarHBondContact O-N 3.4Å; H91-S95 VanDerWaalsContact O-CB 3.3Å; H91-S95 WeakPolarHBondContact O-CB 3.23Å; H91-S95 PolarHBondContact O-N 3.47Å; H91-S95 PolarHBondContact O-OG 2.93Å; H91-T140 HydrophobicContact CB-CG2 4Å |
| 92 | L | 98.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -38.5 | 179.1 | -65.1 | 173.2 | 0 | 0 | 0 | 112.2 | N33 L36 N37 L40 T88 L89 S95 S96 | N33-L92 HydrophobicContact CB-CD1 4.39Å; N33-L92 WeakPolarHBondContact OD1-CD1 3.43Å; L36-L92 HydrophobicContact CB-CB 4.31Å; L36-L92 HydrophobicContact CB-CD1 3.97Å; L36-L92 HydrophobicContact CD2-CB 3.87Å; N37-L92 VanDerWaalsContact OD1-CD2 3.31Å; N37-L92 WeakPolarHBondContact OD1-CD2 3.49Å; L40-L92 HydrophobicContact CD1-CD2 4.11Å; T88-L92 HydrophobicContact CG2-CD1 4.13Å; T88-L92 HydrophobicContact CG2-CG 4.47Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.07Å; L89-L92 PolarHBondContact O-N 3.08Å; L92-S95 PolarHBondContact O-N 2.84Å; L92-S96 VanDerWaalsContact O-CB 3.23Å; L92-S96 WeakPolarHBondContact O-CB 3.35Å; L92-S96 PolarHBondContact O-N 3.25Å; L92-S96 PolarHBondContact O-OG 3.08Å |
| 93 | T | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -50.3 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | C68 L89 A90 S96 C97 V117 | C68-T93 HydrophobicContact CB-CG2 4.11Å; C68-T93 WeakPolarHBondContact CB-OG1 3.46Å; L89-T93 VanDerWaalsContact O-CB 3.25Å; L89-T93 WeakPolarHBondContact O-CB 3.3Å; L89-T93 PolarHBondContact O-N 3.48Å; L89-T93 PolarHBondContact O-OG1 3.23Å; A90-T93 PolarHBondContact O-N 2.86Å; T93-S96 PolarHBondContact O-N 3.03Å; T93-C97 PolarHBondContact O-N 3.14Å; T93-C97 VanDerWaalsContact O-N 3.11Å; T93-C97 PolarHBondContact O-SG 3.38Å; T93-V117 HydrophobicContact CG2-CG1 4.04Å; T93-V117 HydrophobicContact CG2-CG2 4.34Å |
| 94 | S | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111.7 | A90 H91 S96 C97 V98 A144 | A90-S94 PolarHBondContact O-N 3.33Å; H91-S94 PolarHBondContact O-N 3.4Å; S94-S96 PolarHBondContact O-N 3Å; S94-C97 WeakPolarHBondContact O-CB 3.5Å; S94-C97 PolarHBondContact O-N 2.89Å; S94-V98 PolarHBondContact O-N 2.86Å; S94-A144 WeakPolarHBondContact CB-O 3.23Å; S94-A144 PolarHBondContact OG-O 2.99Å |
| 95 | S | 96.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -32.9 | -179.9 | -62.6 | 0 | 0 | 0 | 0 | 113 | K56 H91 L92 | K56-S95 WeakPolarHBondContact CE-O 3.3Å; K56-S95 PolarHBondContact NZ-O 3.41Å; H91-S95 VanDerWaalsContact O-CB 3.3Å; H91-S95 WeakPolarHBondContact O-CB 3.23Å; H91-S95 PolarHBondContact O-N 3.47Å; H91-S95 PolarHBondContact O-OG 2.93Å; L92-S95 PolarHBondContact O-N 2.84Å |
| 96 | S | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.4 | -26.2 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | K56 L92 T93 S94 | K56-S96 WeakPolarHBondContact CB-O 3.32Å; L92-S96 VanDerWaalsContact O-CB 3.23Å; L92-S96 WeakPolarHBondContact O-CB 3.35Å; L92-S96 PolarHBondContact O-N 3.25Å; L92-S96 PolarHBondContact O-OG 3.08Å; T93-S96 PolarHBondContact O-N 3.03Å; S94-S96 PolarHBondContact O-N 3Å |
| 97 | C | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.3 | -37.7 | 173.9 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | T93 S94 G99 A100 F109 L114 L148 | T93-C97 PolarHBondContact O-N 3.14Å; T93-C97 VanDerWaalsContact O-N 3.11Å; T93-C97 PolarHBondContact O-SG 3.38Å; S94-C97 WeakPolarHBondContact O-CB 3.5Å; S94-C97 PolarHBondContact O-N 2.89Å; C97-G99 PolarHBondContact O-N 3.06Å; C97-A100 PolarHBondContact O-N 2.7Å; C97-F109 HydrophobicContact CB-CZ 4.25Å; C97-L114 HydrophobicContact CB-CD2 3.7Å; C97-L148 HydrophobicContact CB-CD1 3.55Å |
| 98 | V | 96 | Very high | 96.5 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 118.6 | -177.6 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | K56 S94 A100 W147 L148 A151 | K56-V98 VanDerWaalsContact CD-O 3.28Å; K56-V98 WeakPolarHBondContact CD-O 3.24Å; K56-V98 PolarHBondContact NZ-O 2.79Å; S94-V98 PolarHBondContact O-N 2.86Å; V98-A100 VanDerWaalsContact C-N 3.34Å; V98-W147 HydrophobicContact CG1-CZ2 4.19Å; V98-W147 HydrophobicContact CG2-CG 4.41Å; V98-L148 HydrophobicContact CG2-CD1 4.03Å; V98-A151 HydrophobicContact CB-CB 4.1Å; V98-A151 HydrophobicContact CG1-CB 3.54Å; V98-A151 HydrophobicContact CG2-CB 3.62Å |
| 99 | G | 93.6 | Very high | 96.5 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 9.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T53 C97 | T53-G99 WeakPolarHBondContact CG2-O 3.39Å; C97-G99 PolarHBondContact O-N 3.06Å |
| 100 | A | 95.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | trans | -71.3 | 141.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K56 C97 V98 P102 F109 | K56-A100 HydrophobicContact CB-CB 4.1Å; C97-A100 PolarHBondContact O-N 2.7Å; V98-A100 VanDerWaalsContact C-N 3.34Å; A100-P102 WeakPolarHBondContact O-CD 3.47Å; A100-F109 HydrophobicContact CB-CE2 4.47Å; A100-F109 HydrophobicContact CB-CZ 4.04Å | ||
| 101 | E | 95.5 | Very high | 96.5 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | trans | -114.2 | 82.4 | 178.1 | -71.2 | -176.6 | 179 | 0 | 0 | 110.2 | T53 T57 G103 | T53-E101 HydrophobicContact CG2-CB 4.17Å; T53-E101 HydrophobicContact CG2-CG 3.71Å; T57-E101 WeakPolarHBondContact CG2-O 3.43Å; T57-E101 WeakPolarHBondContact OG1-CA 3.49Å; T57-E101 PolarHBondContact OG1-N 2.9Å; T57-E101 PolarHBondContact OG1-O 3.17Å; E101-G103 PolarHBondContact O-N 2.98Å | ||
| 102 | P | 93.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.032 | 30% | 0.303 | C | S | . | . | trans | -68.2 | -0.7 | -173.7 | 29.3 | -40 | 0 | 0 | 0 | 115.1 | Y60 H61 A100 R104 R105 F109 | Y60-P102 HydrophobicContact CD1-CB 3.7Å; Y60-P102 HydrophobicContact CE1-CB 3.57Å; H61-P102 PolarHBondContact CE1-O 3.03Å; H61-P102 PolarHBondContact NE2-O 3.34Å; A100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-R104 PolarHBondContact O-N 3.32Å; P102-R105 HydrophobicContact CB-CB 4.48Å; P102-R105 PolarHBondContact O-N 3.07Å; P102-F109 HydrophobicContact CB-CB 3.81Å; P102-F109 HydrophobicContact CB-CD2 4.31Å; P102-F109 HydrophobicContact CB-CG 3.98Å; P102-F109 HydrophobicContact CG-CB 3.71Å; P102-F109 HydrophobicContact CG-CD1 3.82Å; P102-F109 HydrophobicContact CG-CD2 4.45Å; P102-F109 HydrophobicContact CG-CG 3.74Å | ||
| 103 | G | 95.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 57% | 0.567 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | 50.9 | -119.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E101 R105 S106 | E101-G103 PolarHBondContact O-N 2.98Å; G103-R105 PolarHBondContact O-N 3.18Å; G103-R105 VanDerWaalsContact O-N 3.13Å; G103-S106 VanDerWaalsContact O-CB 3.24Å; G103-S106 WeakPolarHBondContact O-CB 3.48Å; G103-S106 PolarHBondContact O-N 3.4Å |
| 104 | R | 94.5 | Very high | 96.5 | Very high | 259 Ų | 259 | 60.2 Ų | 60.2 | 98% | 0.977 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -61.2 | -20.9 | -179.6 | -64 | -176.6 | -177.7 | -180 | 1.1 | 114 | P102 S106 | P102-R104 PolarHBondContact O-N 3.32Å; R104-S106 VanDerWaalsContact C-N 3.34Å |
| 105 | R | 94.9 | Very high | 96.5 | Very high | 130 Ų | 130 | 61.5 Ų | 61.5 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -94.8 | 14.3 | 178.7 | -63 | -173.1 | -175.2 | 169.3 | 0.5 | 112.8 | Y60 H61 P102 G103 E107 A108 F109 | Y60-R105 HydrophobicContact CE1-CB 3.76Å; H61-R105 PolarHBondContact O-NH1 2.99Å; P102-R105 HydrophobicContact CB-CB 4.48Å; P102-R105 PolarHBondContact O-N 3.07Å; G103-R105 PolarHBondContact O-N 3.18Å; G103-R105 VanDerWaalsContact O-N 3.13Å; R105-E107 VanDerWaalsContact C-N 3.35Å; R105-E107 PolarHBondContact O-N 3.1Å; R105-A108 PolarHBondContact O-N 3.05Å; R105-F109 WeakPolarHBondContact O-CB 3.39Å; R105-F109 PolarHBondContact O-N 3.26Å |
| 106 | S | 96.6 | Very high | 96.6 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 33% | 0.329 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.1 | -41.3 | -176.7 | -177.1 | 0 | 0 | 0 | 0 | 113.7 | G103 R104 F109 H110 | G103-S106 VanDerWaalsContact O-CB 3.24Å; G103-S106 WeakPolarHBondContact O-CB 3.48Å; G103-S106 PolarHBondContact O-N 3.4Å; R104-S106 VanDerWaalsContact C-N 3.34Å; S106-F109 WeakPolarHBondContact O-CB 3.41Å; S106-F109 PolarHBondContact O-N 2.98Å; S106-H110 PolarHBondContact O-N 3.28Å; S106-H110 PolarHBondContact O-ND1 3.37Å; S106-H110 PolarHBondContact OG-CE1 3.41Å; S106-H110 VanDerWaalsContact OG-CE1 3.32Å; S106-H110 PolarHBondContact OG-ND1 3.07Å |
| 107 | E | 97.1 | Very high | 96.6 | Very high | 125 Ų | 125 | 62.5 Ų | 62.5 | 58% | 0.584 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.6 | -50.1 | 179 | -174.3 | 176.2 | -177.6 | 0 | 0 | 111.7 | R105 F109 H110 R111 | R105-E107 VanDerWaalsContact C-N 3.35Å; R105-E107 PolarHBondContact O-N 3.1Å; E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 3.01Å; E107-H110 PolarHBondContact O-N 3.2Å; E107-R111 HydrophobicContact CG-CG 4.31Å; E107-R111 VanDerWaalsContact O-CB 3.3Å; E107-R111 WeakPolarHBondContact O-CB 3.14Å; E107-R111 PolarHBondContact O-N 3.05Å; E107-R111 IonicContact OE1-CZ 3.58Å; E107-R111 IonicContact OE1-NE 3.96Å; E107-R111 IonicContact OE1-NH1 2.7Å; E107-R111 PolarHBondContact OE1-NH1 3.15Å |
| 108 | A | 97.5 | Very high | 96.7 | Very high | 42 Ų | 42 | 62.5 Ų | 62.5 | 35% | 0.347 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R105 L112 F113 | R105-A108 PolarHBondContact O-N 3.05Å; A108-L112 HydrophobicContact CB-CD1 4.47Å; A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 PolarHBondContact O-N 2.87Å; A108-F113 PolarHBondContact O-N 3.07Å |
| 109 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -60.6 | -53.7 | 176.5 | -177.2 | -101.6 | 0 | 0 | 0 | 111 | Y60 C97 A100 P102 R105 S106 E107 F113 L114 | Y60-F109 AromaticContact CD1-CD2 3.84Å; Y60-F109 HydrophobicContact CD1-CD2 3.84Å; Y60-F109 HydrophobicContact CD1-CE2 4.44Å; Y60-F109 AromaticContact CD2-CD2 3.65Å; Y60-F109 HydrophobicContact CD2-CD2 3.65Å; Y60-F109 HydrophobicContact CD2-CE2 4.03Å; Y60-F109 HydrophobicContact CE1-CB 3.93Å; Y60-F109 AromaticContact CE1-CD2 3.77Å; Y60-F109 HydrophobicContact CE1-CD2 3.77Å; Y60-F109 HydrophobicContact CE1-CG 4.27Å; Y60-F109 HydrophobicContact CE2-CB 4.5Å; Y60-F109 AromaticContact CE2-CD2 3.62Å; Y60-F109 HydrophobicContact CE2-CD2 3.62Å; Y60-F109 HydrophobicContact CE2-CE2 4.41Å; Y60-F109 AromaticContact CG-CD2 3.76Å; Y60-F109 HydrophobicContact CG-CD2 3.76Å; Y60-F109 HydrophobicContact CG-CE2 4.05Å; Y60-F109 AromaticContact CZ-CD2 3.66Å; Y60-F109 WeakPolarHBondContact OH-CA 3.47Å; Y60-F109 PolarHBondContact OH-N 3.25Å; C97-F109 HydrophobicContact CB-CZ 4.25Å; A100-F109 HydrophobicContact CB-CE2 4.47Å; A100-F109 HydrophobicContact CB-CZ 4.04Å; P102-F109 HydrophobicContact CB-CB 3.81Å; P102-F109 HydrophobicContact CB-CD2 4.31Å; P102-F109 HydrophobicContact CB-CG 3.98Å; P102-F109 HydrophobicContact CG-CB 3.71Å; P102-F109 HydrophobicContact CG-CD1 3.82Å; P102-F109 HydrophobicContact CG-CD2 4.45Å; P102-F109 HydrophobicContact CG-CG 3.74Å; R105-F109 WeakPolarHBondContact O-CB 3.39Å; R105-F109 PolarHBondContact O-N 3.26Å; S106-F109 WeakPolarHBondContact O-CB 3.41Å; S106-F109 PolarHBondContact O-N 2.98Å; E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 3.01Å; F109-F113 AromaticContact CD2-CD1 3.67Å; F109-F113 HydrophobicContact CD2-CD1 3.67Å; F109-F113 HydrophobicContact CD2-CE1 4.45Å; F109-F113 HydrophobicContact CD2-CG 4.43Å; F109-F113 AromaticContact CE2-CD1 3.63Å; F109-F113 HydrophobicContact CE2-CD1 3.63Å; F109-F113 HydrophobicContact CE2-CE1 4.01Å; F109-F113 WeakPolarHBondContact O-CB 3.39Å; F109-F113 PolarHBondContact O-N 3.31Å; F109-L114 HydrophobicContact CD1-CD1 4.07Å; F109-L114 HydrophobicContact CD1-CD2 4.43Å; F109-L114 HydrophobicContact CD1-CG 4.03Å; F109-L114 HydrophobicContact CE1-CD1 3.79Å; F109-L114 HydrophobicContact CE1-CD2 3.75Å; F109-L114 HydrophobicContact CE1-CG 3.79Å; F109-L114 HydrophobicContact CE2-CD2 4.27Å; F109-L114 HydrophobicContact CZ-CD2 3.65Å; F109-L114 HydrophobicContact CZ-CG 4.15Å; F109-L114 WeakPolarHBondContact O-CG 3.39Å; F109-L114 PolarHBondContact O-N 3Å |
| 110 | H | 97.7 | Very high | 97 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 27% | 0.269 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -76.9 | -34.8 | -174.9 | -65.7 | 93.1 | 0 | 0 | 0 | 113.6 | S106 E107 P115 H154 | S106-H110 PolarHBondContact O-N 3.28Å; S106-H110 PolarHBondContact O-ND1 3.37Å; S106-H110 PolarHBondContact OG-CE1 3.41Å; S106-H110 VanDerWaalsContact OG-CE1 3.32Å; S106-H110 PolarHBondContact OG-ND1 3.07Å; E107-H110 PolarHBondContact O-N 3.2Å; H110-P115 WeakPolarHBondContact O-CD 3.21Å; H110-H154 AromaticContact CD2-CE1 4Å |
| 111 | R | 97.2 | Very high | 97.1 | Very high | 175 Ų | 175 | 62.8 Ų | 62.8 | 66% | 0.66 | 31% | 0.309 | S | S | * | . | I | π-helix | trans | -92.1 | -21.8 | -173.6 | -66.7 | -171.3 | 170.3 | 176.5 | -10.2 | 114.8 | E107 | E107-R111 HydrophobicContact CG-CG 4.31Å; E107-R111 VanDerWaalsContact O-CB 3.3Å; E107-R111 WeakPolarHBondContact O-CB 3.14Å; E107-R111 PolarHBondContact O-N 3.05Å; E107-R111 IonicContact OE1-CZ 3.58Å; E107-R111 IonicContact OE1-NE 3.96Å; E107-R111 IonicContact OE1-NH1 2.7Å; E107-R111 PolarHBondContact OE1-NH1 3.15Å |
| 112 | L | 97.4 | Very high | 97.2 | Very high | 126 Ų | 126 | 56.3 Ų | 56.3 | 66% | 0.66 | 28% | 0.279 | S | S | * | . | I | π-helix | trans | -123 | -53.5 | -175.5 | -55.1 | 174.5 | 0 | 0 | 0 | 111 | A108 S116 | A108-L112 HydrophobicContact CB-CD1 4.47Å; A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 PolarHBondContact O-N 2.87Å; L112-S116 PolarHBondContact O-N 3.36Å |
| 113 | F | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -70.7 | -53.1 | -172 | -179.1 | -103.5 | 0 | 0 | 0 | 112.5 | Y60 L65 V69 A108 F109 S116 V117 | Y60-F113 HydrophobicContact CD2-CD1 4.05Å; Y60-F113 HydrophobicContact CD2-CE1 4.29Å; Y60-F113 HydrophobicContact CD2-CG 4.25Å; Y60-F113 HydrophobicContact CE2-CB 4.07Å; Y60-F113 AromaticContact CE2-CD1 3.99Å; Y60-F113 HydrophobicContact CE2-CD1 3.99Å; Y60-F113 HydrophobicContact CE2-CD2 4.28Å; Y60-F113 AromaticContact CE2-CG 3.81Å; Y60-F113 HydrophobicContact CE2-CG 3.81Å; L65-F113 HydrophobicContact CB-CE1 4.07Å; L65-F113 HydrophobicContact CB-CE2 4.18Å; L65-F113 HydrophobicContact CB-CZ 3.43Å; L65-F113 VanDerWaalsContact CB-CZ 3.43Å; L65-F113 HydrophobicContact CD1-CE1 4.07Å; L65-F113 HydrophobicContact CD1-CZ 4.29Å; L65-F113 HydrophobicContact CG-CZ 4.49Å; V69-F113 HydrophobicContact CG2-CE2 3.93Å; V69-F113 HydrophobicContact CG2-CZ 4.14Å; A108-F113 PolarHBondContact O-N 3.07Å; F109-F113 AromaticContact CD2-CD1 3.67Å; F109-F113 HydrophobicContact CD2-CD1 3.67Å; F109-F113 HydrophobicContact CD2-CE1 4.45Å; F109-F113 HydrophobicContact CD2-CG 4.43Å; F109-F113 AromaticContact CE2-CD1 3.63Å; F109-F113 HydrophobicContact CE2-CD1 3.63Å; F109-F113 HydrophobicContact CE2-CE1 4.01Å; F109-F113 WeakPolarHBondContact O-CB 3.39Å; F109-F113 PolarHBondContact O-N 3.31Å; F113-S116 WeakPolarHBondContact O-CB 3.41Å; F113-S116 PolarHBondContact O-N 3.19Å; F113-S116 PolarHBondContact O-OG 3.35Å; F113-V117 HydrophobicContact CD1-CG2 4.21Å; F113-V117 HydrophobicContact CE1-CG2 3.61Å; F113-V117 HydrophobicContact CE2-CG2 4.08Å; F113-V117 HydrophobicContact CZ-CG2 3.48Å; F113-V117 VanDerWaalsContact CZ-CG2 3.48Å; F113-V117 WeakPolarHBondContact O-CG2 3.32Å; F113-V117 PolarHBondContact O-N 2.83Å |
| 114 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 178.6 | -69.7 | -175.2 | 0 | 0 | 0 | 112.8 | C97 F109 S116 V117 V118 L148 H152 L155 | C97-L114 HydrophobicContact CB-CD2 3.7Å; F109-L114 HydrophobicContact CD1-CD1 4.07Å; F109-L114 HydrophobicContact CD1-CD2 4.43Å; F109-L114 HydrophobicContact CD1-CG 4.03Å; F109-L114 HydrophobicContact CE1-CD1 3.79Å; F109-L114 HydrophobicContact CE1-CD2 3.75Å; F109-L114 HydrophobicContact CE1-CG 3.79Å; F109-L114 HydrophobicContact CE2-CD2 4.27Å; F109-L114 HydrophobicContact CZ-CD2 3.65Å; F109-L114 HydrophobicContact CZ-CG 4.15Å; F109-L114 WeakPolarHBondContact O-CG 3.39Å; F109-L114 PolarHBondContact O-N 3Å; L114-S116 VanDerWaalsContact C-N 3.31Å; L114-S116 PolarHBondContact O-N 2.89Å; L114-V117 WeakPolarHBondContact O-CB 3.34Å; L114-V117 PolarHBondContact O-N 2.9Å; L114-V117 VanDerWaalsContact O-N 3.15Å; L114-V118 PolarHBondContact O-N 3.07Å; L114-L148 HydrophobicContact CD2-CD1 4.16Å; L114-H152 HydrophobicContact CD1-CB 4.3Å; L114-L155 HydrophobicContact CB-CD1 4.03Å; L114-L155 HydrophobicContact CB-CD2 4.01Å; L114-L155 HydrophobicContact CD1-CD1 4.41Å |
| 115 | P | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.7 | -42.2 | 170.4 | -34 | 40.2 | 0 | 0 | 0 | 114.4 | H110 V117 V118 D119 L155 Q158 | H110-P115 WeakPolarHBondContact O-CD 3.21Å; P115-V117 VanDerWaalsContact C-N 3.31Å; P115-V117 PolarHBondContact O-N 3.14Å; P115-V118 PolarHBondContact O-N 3.04Å; P115-D119 PolarHBondContact O-N 3.11Å; P115-L155 HydrophobicContact CG-CD2 4.03Å; P115-Q158 PolarHBondContact O-NE2 3.01Å |
| 116 | S | 98.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 30% | 0.301 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -32.9 | 177.6 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | L112 F113 L114 V120 | L112-S116 PolarHBondContact O-N 3.36Å; F113-S116 WeakPolarHBondContact O-CB 3.41Å; F113-S116 PolarHBondContact O-N 3.19Å; F113-S116 PolarHBondContact O-OG 3.35Å; L114-S116 VanDerWaalsContact C-N 3.31Å; L114-S116 PolarHBondContact O-N 2.89Å; S116-V120 PolarHBondContact O-N 3.35Å; S116-V120 VanDerWaalsContact O-N 3.15Å |
| 117 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 174.2 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | V69 T93 F113 L114 P115 D119 V120 L121 L148 | V69-V117 HydrophobicContact CG2-CG2 3.67Å; T93-V117 HydrophobicContact CG2-CG1 4.04Å; T93-V117 HydrophobicContact CG2-CG2 4.34Å; F113-V117 HydrophobicContact CD1-CG2 4.21Å; F113-V117 HydrophobicContact CE1-CG2 3.61Å; F113-V117 HydrophobicContact CE2-CG2 4.08Å; F113-V117 HydrophobicContact CZ-CG2 3.48Å; F113-V117 VanDerWaalsContact CZ-CG2 3.48Å; F113-V117 WeakPolarHBondContact O-CG2 3.32Å; F113-V117 PolarHBondContact O-N 2.83Å; L114-V117 WeakPolarHBondContact O-CB 3.34Å; L114-V117 PolarHBondContact O-N 2.9Å; L114-V117 VanDerWaalsContact O-N 3.15Å; P115-V117 VanDerWaalsContact C-N 3.31Å; P115-V117 PolarHBondContact O-N 3.14Å; V117-D119 VanDerWaalsContact C-N 3.33Å; V117-D119 PolarHBondContact O-N 3.03Å; V117-V120 VanDerWaalsContact O-CG1 3.29Å; V117-V120 WeakPolarHBondContact O-CG1 3.38Å; V117-V120 PolarHBondContact O-N 3.04Å; V117-L121 HydrophobicContact CG1-CD1 3.93Å; V117-L121 HydrophobicContact CG1-CG 4.31Å; V117-L121 WeakPolarHBondContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.49Å; V117-L121 PolarHBondContact O-N 2.91Å; V117-L121 VanDerWaalsContact O-N 3.07Å; V117-L148 HydrophobicContact CB-CD2 4.3Å; V117-L148 HydrophobicContact CG1-CD2 3.87Å |
| 118 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L114 P115 V120 L121 L122 L148 L155 V159 | L114-V118 PolarHBondContact O-N 3.07Å; P115-V118 PolarHBondContact O-N 3.04Å; V118-V120 PolarHBondContact O-N 3.49Å; V118-L121 PolarHBondContact O-N 3.47Å; V118-L122 HydrophobicContact CG1-CD1 3.84Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.37Å; V118-L148 HydrophobicContact CG2-CD2 3.67Å; V118-L155 HydrophobicContact CG2-CB 4.23Å; V118-L155 HydrophobicContact CG2-CD1 3.82Å; V118-L155 HydrophobicContact CG2-CD2 4.41Å; V118-L155 HydrophobicContact CG2-CG 4.37Å; V118-V159 HydrophobicContact CG1-CG2 3.48Å; V118-V159 VanDerWaalsContact CG1-CG2 3.48Å |
| 119 | D | 98 | Very high | 97 | Very high | 75 Ų | 75 | 29 Ų | 29 | 40% | 0.401 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.8 | -48.6 | -178.7 | -172.3 | 65.7 | 0 | 0 | 0 | 111.9 | P115 V117 L121 L122 S123 H164 | P115-D119 PolarHBondContact O-N 3.11Å; V117-D119 VanDerWaalsContact C-N 3.33Å; V117-D119 PolarHBondContact O-N 3.03Å; D119-L121 PolarHBondContact O-N 3.36Å; D119-L122 PolarHBondContact O-N 2.95Å; D119-S123 WeakPolarHBondContact O-CB 3.3Å; D119-S123 PolarHBondContact O-N 2.62Å; D119-H164 IonicContact OD1-CD2 3.96Å |
| 120 | V | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68 | -34.3 | -180 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | V69 L72 S73 S116 V117 V118 S123 L124 | V69-V120 HydrophobicContact CG1-CB 4.44Å; V69-V120 HydrophobicContact CG1-CG1 4.15Å; V69-V120 HydrophobicContact CG2-CG1 4.4Å; L72-V120 HydrophobicContact CB-CG1 4.27Å; L72-V120 HydrophobicContact CB-CG2 3.42Å; L72-V120 VanDerWaalsContact CB-CG2 3.42Å; L72-V120 HydrophobicContact CD1-CG1 4.42Å; L72-V120 WeakPolarHBondContact O-CG2 3.4Å; S73-V120 VanDerWaalsContact N-CG2 3.32Å; S73-V120 VanDerWaalsContact OG-CG2 3.27Å; S73-V120 WeakPolarHBondContact OG-CG2 3.21Å; S116-V120 PolarHBondContact O-N 3.35Å; S116-V120 VanDerWaalsContact O-N 3.15Å; V117-V120 VanDerWaalsContact O-CG1 3.29Å; V117-V120 WeakPolarHBondContact O-CG1 3.38Å; V117-V120 PolarHBondContact O-N 3.04Å; V118-V120 PolarHBondContact O-N 3.49Å; V120-S123 PolarHBondContact O-N 2.95Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3Å |
| 121 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.5 | -69.1 | 176.9 | 0 | 0 | 0 | 111.5 | A90 V117 V118 D119 L124 A125 V141 V145 | A90-L121 HydrophobicContact CB-CD2 3.27Å; V117-L121 HydrophobicContact CG1-CD1 3.93Å; V117-L121 HydrophobicContact CG1-CG 4.31Å; V117-L121 WeakPolarHBondContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.49Å; V117-L121 PolarHBondContact O-N 2.91Å; V117-L121 VanDerWaalsContact O-N 3.07Å; V118-L121 PolarHBondContact O-N 3.47Å; D119-L121 PolarHBondContact O-N 3.36Å; L121-L124 PolarHBondContact O-N 3.42Å; L121-A125 WeakPolarHBondContact O-CB 3.49Å; L121-A125 PolarHBondContact O-N 3Å; L121-V141 HydrophobicContact CB-CG1 4.47Å; L121-V141 VanDerWaalsContact O-CG1 3.25Å; L121-V141 WeakPolarHBondContact O-CG1 3.42Å; L121-V145 HydrophobicContact CB-CG2 3.67Å; L121-V145 HydrophobicContact CD1-CG2 4.08Å |
| 122 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 177 | -67.9 | 175.4 | 0 | 0 | 0 | 111.6 | V118 D119 L124 A125 G126 V145 V159 H164 Y165 | V118-L122 HydrophobicContact CG1-CD1 3.84Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.37Å; D119-L122 PolarHBondContact O-N 2.95Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.41Å; L122-A125 PolarHBondContact O-N 3.1Å; L122-G126 PolarHBondContact O-N 3.31Å; L122-V145 HydrophobicContact CD2-CG1 4.42Å; L122-V145 HydrophobicContact CD2-CG2 4.25Å; L122-V159 HydrophobicContact CD1-CB 4.45Å; L122-V159 HydrophobicContact CD1-CG1 4.3Å; L122-V159 HydrophobicContact CD1-CG2 4.22Å; L122-V159 HydrophobicContact CD2-CG1 4.43Å; L122-H164 HydrophobicContact CB-CB 3.79Å; L122-Y165 HydrophobicContact CD2-CD2 3.99Å; L122-Y165 HydrophobicContact CD2-CG 4.46Å |
| 123 | S | 96.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 173.4 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | D119 V120 G126 Q127 H164 | D119-S123 WeakPolarHBondContact O-CB 3.3Å; D119-S123 PolarHBondContact O-N 2.62Å; V120-S123 PolarHBondContact O-N 2.95Å; S123-G126 PolarHBondContact O-N 3.1Å; S123-Q127 WeakPolarHBondContact O-CG 3.34Å; S123-Q127 PolarHBondContact O-N 3.4Å; S123-H164 PolarHBondContact OG-NE2 3.45Å |
| 124 | L | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.7 | 179.1 | 63.6 | 0 | 0 | 0 | 111.8 | L72 W83 A86 A90 V120 L121 L122 G126 Q127 L128 V141 | L72-L124 HydrophobicContact CD2-CD2 4.17Å; W83-L124 HydrophobicContact CE3-CD1 3.98Å; W83-L124 HydrophobicContact CZ3-CD1 3.95Å; A86-L124 HydrophobicContact CB-CD1 4.14Å; A86-L124 HydrophobicContact CB-CD2 4.21Å; A90-L124 HydrophobicContact CB-CD2 3.94Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3Å; L121-L124 PolarHBondContact O-N 3.42Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.41Å; L124-G126 VanDerWaalsContact C-N 3.33Å; L124-G126 PolarHBondContact O-N 3.47Å; L124-Q127 WeakPolarHBondContact O-CB 3.19Å; L124-Q127 PolarHBondContact O-N 3.22Å; L124-L128 HydrophobicContact CG-CD1 4.45Å; L124-L128 WeakPolarHBondContact O-CG 3.37Å; L124-L128 PolarHBondContact O-N 2.85Å; L124-V141 HydrophobicContact CD2-CG1 4.42Å; L124-V141 HydrophobicContact CD2-CG2 3.76Å; L124-V141 HydrophobicContact CG-CG2 4.2Å |
| 125 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L121 L122 Q127 L128 V129 L138 V141 M142 I168 | L121-A125 WeakPolarHBondContact O-CB 3.49Å; L121-A125 PolarHBondContact O-N 3Å; L122-A125 PolarHBondContact O-N 3.1Å; A125-Q127 VanDerWaalsContact C-N 3.31Å; A125-Q127 PolarHBondContact O-N 3.49Å; A125-L128 PolarHBondContact O-N 2.7Å; A125-V129 WeakPolarHBondContact O-CG2 3.23Å; A125-V129 PolarHBondContact O-N 2.88Å; A125-L138 HydrophobicContact CB-CD1 3.8Å; A125-V141 HydrophobicContact CB-CG1 3.89Å; A125-M142 HydrophobicContact CB-SD 3.96Å; A125-I168 HydrophobicContact CB-CD1 3.56Å |
| 126 | G | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L122 S123 L124 V129 S130 | L122-G126 PolarHBondContact O-N 3.31Å; S123-G126 PolarHBondContact O-N 3.1Å; L124-G126 VanDerWaalsContact C-N 3.33Å; L124-G126 PolarHBondContact O-N 3.47Å; G126-V129 PolarHBondContact O-N 2.93Å; G126-S130 WeakPolarHBondContact O-CB 3.31Å; G126-S130 PolarHBondContact O-N 3.33Å; G126-S130 PolarHBondContact O-OG 2.88Å |
| 127 | Q | 92.9 | Very high | 93.3 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 173.5 | -69.2 | 174 | 28.3 | 0 | 0 | 111.8 | P76 W83 S123 L124 A125 V129 S130 R131 | P76-Q127 HydrophobicContact CG-CG 4.21Å; W83-Q127 HydrophobicContact CH2-CB 4.37Å; W83-Q127 HydrophobicContact CZ3-CB 4.3Å; S123-Q127 WeakPolarHBondContact O-CG 3.34Å; S123-Q127 PolarHBondContact O-N 3.4Å; L124-Q127 WeakPolarHBondContact O-CB 3.19Å; L124-Q127 PolarHBondContact O-N 3.22Å; A125-Q127 VanDerWaalsContact C-N 3.31Å; A125-Q127 PolarHBondContact O-N 3.49Å; Q127-V129 VanDerWaalsContact C-N 3.33Å; Q127-V129 PolarHBondContact O-N 3.33Å; Q127-S130 PolarHBondContact O-N 3.19Å; Q127-S130 PolarHBondContact O-OG 3.22Å; Q127-R131 WeakPolarHBondContact O-CB 3.42Å; Q127-R131 VanDerWaalsContact O-CG 3.3Å; Q127-R131 WeakPolarHBondContact O-CG 3.39Å; Q127-R131 PolarHBondContact O-N 3.28Å; Q127-R131 VanDerWaalsContact O-N 3.17Å |
| 128 | L | 93.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 177.6 | -66.2 | 173.6 | 0 | 0 | 0 | 111.8 | W83 L124 A125 R131 S132 E133 L137 L138 V141 | W83-L128 HydrophobicContact CB-CD2 3.91Å; W83-L128 HydrophobicContact CD2-CD2 4.09Å; W83-L128 HydrophobicContact CE3-CD2 3.97Å; W83-L128 HydrophobicContact CG-CD2 4.08Å; L124-L128 HydrophobicContact CG-CD1 4.45Å; L124-L128 WeakPolarHBondContact O-CG 3.37Å; L124-L128 PolarHBondContact O-N 2.85Å; A125-L128 PolarHBondContact O-N 2.7Å; L128-R131 PolarHBondContact O-N 3.17Å; L128-S132 PolarHBondContact O-N 3.12Å; L128-E133 HydrophobicContact CB-CB 4.31Å; L128-E133 HydrophobicContact CD2-CB 3.74Å; L128-E133 HydrophobicContact CD2-CG 3.88Å; L128-E133 PolarHBondContact O-N 3.07Å; L128-L137 HydrophobicContact CD1-CB 4.23Å; L128-L137 HydrophobicContact CD2-CB 4.4Å; L128-L138 HydrophobicContact CB-CD1 4.41Å; L128-V141 HydrophobicContact CD1-CB 4.44Å; L128-V141 HydrophobicContact CD1-CG2 3.75Å |
| 129 | V | 93.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -51 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | A125 G126 Q127 R131 S132 L138 I168 V176 | A125-V129 WeakPolarHBondContact O-CG2 3.23Å; A125-V129 PolarHBondContact O-N 2.88Å; G126-V129 PolarHBondContact O-N 2.93Å; Q127-V129 VanDerWaalsContact C-N 3.33Å; Q127-V129 PolarHBondContact O-N 3.33Å; V129-R131 PolarHBondContact O-N 3.17Å; V129-R131 VanDerWaalsContact O-N 3.08Å; V129-S132 PolarHBondContact O-N 3.41Å; V129-S132 VanDerWaalsContact O-N 3.07Å; V129-L138 HydrophobicContact CG2-CD1 3.96Å; V129-L138 HydrophobicContact CG2-CD2 3.64Å; V129-L138 HydrophobicContact CG2-CG 4.47Å; V129-I168 HydrophobicContact CG2-CG1 4.28Å; V129-I168 HydrophobicContact CG2-CG2 4.23Å; V129-V176 HydrophobicContact CG1-CG1 4.47Å; V129-V176 HydrophobicContact CG1-CG2 4.35Å; V129-V176 HydrophobicContact CG2-CG1 3.89Å; V129-V176 HydrophobicContact CG2-CG2 4.03Å |
| 130 | S | 90.6 | Very high | 93.1 | Very high | 78 Ų | 78 | 39.6 Ų | 39.6 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.4 | -22.3 | -176.7 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | G126 Q127 | G126-S130 WeakPolarHBondContact O-CB 3.31Å; G126-S130 PolarHBondContact O-N 3.33Å; G126-S130 PolarHBondContact O-OG 2.88Å; Q127-S130 PolarHBondContact O-N 3.19Å; Q127-S130 PolarHBondContact O-OG 3.22Å |
| 131 | R | 86.1 | Confident | 93.2 | Very high | 131 Ų | 131 | 39.5 Ų | 39.5 | 49% | 0.494 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 0.1 | -177.4 | -67.4 | -176.4 | 68.2 | 79.2 | 4 | 113.2 | Q127 L128 V129 E133 | Q127-R131 WeakPolarHBondContact O-CB 3.42Å; Q127-R131 VanDerWaalsContact O-CG 3.3Å; Q127-R131 WeakPolarHBondContact O-CG 3.39Å; Q127-R131 PolarHBondContact O-N 3.28Å; Q127-R131 VanDerWaalsContact O-N 3.17Å; L128-R131 PolarHBondContact O-N 3.17Å; V129-R131 PolarHBondContact O-N 3.17Å; V129-R131 VanDerWaalsContact O-N 3.08Å; R131-E133 HydrophobicContact CB-CG 3.74Å; R131-E133 IonicContact NE-OE1 3.24Å; R131-E133 PolarHBondContact NE-OE1 3.3Å; R131-E133 PolarHBondContact O-N 3.03Å |
| 132 | S | 84.6 | Confident | 93.1 | Very high | 110 Ų | 110 | 39.6 Ų | 39.6 | 77% | 0.769 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38.4 | -174 | -50.1 | 0 | 0 | 0 | 0 | 112.1 | L128 V129 | L128-S132 PolarHBondContact O-N 3.12Å; V129-S132 PolarHBondContact O-N 3.41Å; V129-S132 VanDerWaalsContact O-N 3.07Å |
| 133 | E | 83.1 | Confident | 93.1 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | trans | -67 | 161.2 | 176.7 | -64.2 | -68.6 | 166.8 | 0 | 0 | 110.1 | W83 L128 R131 | W83-E133 HydrophobicContact CG-CG 4.27Å; W83-E133 VanDerWaalsContact NE1-CD 3.33Å; W83-E133 PolarHBondContact NE1-OE1 3.19Å; L128-E133 HydrophobicContact CB-CB 4.31Å; L128-E133 HydrophobicContact CD2-CB 3.74Å; L128-E133 HydrophobicContact CD2-CG 3.88Å; L128-E133 PolarHBondContact O-N 3.07Å; R131-E133 HydrophobicContact CB-CG 3.74Å; R131-E133 IonicContact NE-OE1 3.24Å; R131-E133 PolarHBondContact NE-OE1 3.3Å; R131-E133 PolarHBondContact O-N 3.03Å | ||
| 134 | A | 83.9 | Confident | 93.2 | Very high | 49 Ų | 49 | 41 Ų | 41 | 41% | 0.405 | 23% | 0.232 | S | C | . | . | trans | -54.3 | 128.8 | -170 | 0 | 0 | 0 | 0 | 0 | 112 | P136 L137 | A134-P136 WeakPolarHBondContact O-CD 3.5Å; A134-L137 HydrophobicContact CB-CG 4.46Å; A134-L137 WeakPolarHBondContact O-CB 3.31Å; A134-L137 PolarHBondContact O-N 2.95Å | ||
| 135 | P | 88.9 | Confident | 93.4 | Very high | 58 Ų | 58 | 41 Ų | 41 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -49 | -32 | 178.9 | -30.1 | 34.7 | 0 | 0 | 0 | 116.2 | L137 L138 R139 T175 | P135-L137 VanDerWaalsContact C-N 3.32Å; P135-L137 PolarHBondContact O-N 3.17Å; P135-L138 PolarHBondContact O-N 2.95Å; P135-R139 WeakPolarHBondContact O-CB 3.38Å; P135-R139 PolarHBondContact O-N 2.9Å; P135-T175 HydrophobicContact CB-CG2 3.95Å; P135-T175 HydrophobicContact CG-CG2 4.29Å |
| 136 | P | 94.4 | Very high | 93.4 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -36.7 | 173.3 | -25.5 | 36.3 | 0 | 0 | 0 | 114.1 | A134 R139 T140 | A134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-R139 WeakPolarHBondContact O-CB 3.45Å; P136-R139 PolarHBondContact O-N 3.46Å; P136-T140 PolarHBondContact O-N 2.9Å; P136-T140 PolarHBondContact O-OG1 2.93Å; P136-T140 VanDerWaalsContact O-OG1 3.09Å |
| 137 | L | 95.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 46 Ų | 46 | 18% | 0.183 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 179.6 | -61.5 | -177.2 | 0 | 0 | 0 | 110.9 | W83 A84 A87 L128 A134 P135 R139 T140 V141 | W83-L137 HydrophobicContact CB-CD1 3.75Å; A84-L137 HydrophobicContact CB-CD2 4.21Å; A87-L137 HydrophobicContact CB-CB 4.42Å; A87-L137 HydrophobicContact CB-CD2 4.17Å; L128-L137 HydrophobicContact CD1-CB 4.23Å; L128-L137 HydrophobicContact CD2-CB 4.4Å; A134-L137 HydrophobicContact CB-CG 4.46Å; A134-L137 WeakPolarHBondContact O-CB 3.31Å; A134-L137 PolarHBondContact O-N 2.95Å; P135-L137 VanDerWaalsContact C-N 3.32Å; P135-L137 PolarHBondContact O-N 3.17Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.44Å; L137-T140 WeakPolarHBondContact O-CB 3.19Å; L137-T140 PolarHBondContact O-N 3.49Å; L137-V141 PolarHBondContact O-N 3.5Å; L137-V141 VanDerWaalsContact O-N 3.12Å |
| 138 | L | 96.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.9 | 178.9 | 60.9 | 0 | 0 | 0 | 110.6 | A125 L128 V129 P135 T140 V141 M142 V176 L179 | A125-L138 HydrophobicContact CB-CD1 3.8Å; L128-L138 HydrophobicContact CB-CD1 4.41Å; V129-L138 HydrophobicContact CG2-CD1 3.96Å; V129-L138 HydrophobicContact CG2-CD2 3.64Å; V129-L138 HydrophobicContact CG2-CG 4.47Å; P135-L138 PolarHBondContact O-N 2.95Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.08Å; L138-V141 PolarHBondContact O-N 2.9Å; L138-M142 HydrophobicContact CD1-CG 3.98Å; L138-M142 HydrophobicContact CD1-SD 4.43Å; L138-M142 HydrophobicContact CG-CG 4.2Å; L138-M142 VanDerWaalsContact O-CG 3.31Å; L138-M142 WeakPolarHBondContact O-CG 3.27Å; L138-M142 PolarHBondContact O-N 3.47Å; L138-V176 HydrophobicContact CD2-CB 4.47Å; L138-V176 HydrophobicContact CD2-CG1 4.36Å; L138-V176 HydrophobicContact CD2-CG2 3.82Å; L138-L179 HydrophobicContact CB-CD1 4.23Å; L138-L179 HydrophobicContact CD2-CD1 3.78Å; L138-L179 HydrophobicContact CG-CD1 3.89Å |
| 139 | R | 97.1 | Very high | 94 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.5 | -48 | 174.5 | -176.7 | 179.6 | -61.6 | 114.8 | 5.3 | 111.6 | P135 P136 L137 V141 M142 D143 L179 | P135-R139 WeakPolarHBondContact O-CB 3.38Å; P135-R139 PolarHBondContact O-N 2.9Å; P136-R139 WeakPolarHBondContact O-CB 3.45Å; P136-R139 PolarHBondContact O-N 3.46Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.44Å; R139-V141 VanDerWaalsContact C-N 3.28Å; R139-V141 PolarHBondContact O-N 3.04Å; R139-M142 PolarHBondContact O-N 3.43Å; R139-D143 WeakPolarHBondContact O-CB 3.39Å; R139-D143 PolarHBondContact O-N 3.44Å; R139-L179 HydrophobicContact CB-CD1 4.39Å; R139-L179 HydrophobicContact CB-CD2 3.73Å; R139-L179 HydrophobicContact CG-CD2 3.8Å |
| 140 | T | 97.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.2 | -42.2 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | A87 H91 P136 L137 L138 A144 | A87-T140 HydrophobicContact CB-CG2 4.23Å; A87-T140 WeakPolarHBondContact O-CG2 3.35Å; H91-T140 HydrophobicContact CB-CG2 4Å; P136-T140 PolarHBondContact O-N 2.9Å; P136-T140 PolarHBondContact O-OG1 2.93Å; P136-T140 VanDerWaalsContact O-OG1 3.09Å; L137-T140 WeakPolarHBondContact O-CB 3.19Å; L137-T140 PolarHBondContact O-N 3.49Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.08Å; T140-A144 WeakPolarHBondContact O-CB 3.34Å; T140-A144 PolarHBondContact O-N 2.92Å; T140-A144 VanDerWaalsContact O-N 3.07Å |
| 141 | V | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.8 | -43 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | A87 A90 L121 L124 A125 L128 L137 L138 R139 A144 V145 | A87-V141 HydrophobicContact CB-CG2 3.99Å; A90-V141 HydrophobicContact CB-CG2 4.31Å; L121-V141 HydrophobicContact CB-CG1 4.47Å; L121-V141 VanDerWaalsContact O-CG1 3.25Å; L121-V141 WeakPolarHBondContact O-CG1 3.42Å; L124-V141 HydrophobicContact CD2-CG1 4.42Å; L124-V141 HydrophobicContact CD2-CG2 3.76Å; L124-V141 HydrophobicContact CG-CG2 4.2Å; A125-V141 HydrophobicContact CB-CG1 3.89Å; L128-V141 HydrophobicContact CD1-CB 4.44Å; L128-V141 HydrophobicContact CD1-CG2 3.75Å; L137-V141 PolarHBondContact O-N 3.5Å; L137-V141 VanDerWaalsContact O-N 3.12Å; L138-V141 PolarHBondContact O-N 2.9Å; R139-V141 VanDerWaalsContact C-N 3.28Å; R139-V141 PolarHBondContact O-N 3.04Å; V141-A144 WeakPolarHBondContact O-CB 3.22Å; V141-A144 PolarHBondContact O-N 2.98Å; V141-V145 WeakPolarHBondContact O-CG2 3.46Å; V141-V145 PolarHBondContact O-N 3.42Å |
| 142 | M | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 177.8 | -65.9 | -55.8 | -71.6 | 0 | 0 | 112 | A125 L138 R139 A144 V145 G146 Y165 M183 | A125-M142 HydrophobicContact CB-SD 3.96Å; L138-M142 HydrophobicContact CD1-CG 3.98Å; L138-M142 HydrophobicContact CD1-SD 4.43Å; L138-M142 HydrophobicContact CG-CG 4.2Å; L138-M142 VanDerWaalsContact O-CG 3.31Å; L138-M142 WeakPolarHBondContact O-CG 3.27Å; L138-M142 PolarHBondContact O-N 3.47Å; R139-M142 PolarHBondContact O-N 3.43Å; M142-A144 VanDerWaalsContact C-N 3.27Å; M142-A144 PolarHBondContact O-N 3.19Å; M142-V145 PolarHBondContact O-N 3.09Å; M142-G146 PolarHBondContact O-N 3.28Å; M142-Y165 HydrophobicContact CE-CE2 4.02Å; M142-M183 HydrophobicContact CE-CB 4.45Å; M142-M183 HydrophobicContact CE-CE 4.19Å; M142-M183 HydrophobicContact CE-SD 3.57Å; M142-M183 VanDerWaalsContact CE-SD 3.57Å; M142-M183 WeakPolarHBondContact O-CG 3.35Å |
| 143 | D | 98 | Very high | 95.6 | Very high | 55 Ų | 55 | 31.9 Ų | 31.9 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62 | -38 | 173.4 | -69.6 | -8.6 | 0 | 0 | 0 | 110.6 | R139 G146 W147 Q186 | R139-D143 WeakPolarHBondContact O-CB 3.39Å; R139-D143 PolarHBondContact O-N 3.44Å; D143-G146 PolarHBondContact O-N 3.06Å; D143-W147 WeakPolarHBondContact O-CB 3.49Å; D143-W147 PolarHBondContact O-N 3.2Å; D143-Q186 PolarHBondContact OD1-OE1 2.88Å |
| 144 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S94 T140 V141 M142 L148 | S94-A144 WeakPolarHBondContact CB-O 3.23Å; S94-A144 PolarHBondContact OG-O 2.99Å; T140-A144 WeakPolarHBondContact O-CB 3.34Å; T140-A144 PolarHBondContact O-N 2.92Å; T140-A144 VanDerWaalsContact O-N 3.07Å; V141-A144 WeakPolarHBondContact O-CB 3.22Å; V141-A144 PolarHBondContact O-N 2.98Å; M142-A144 VanDerWaalsContact C-N 3.27Å; M142-A144 PolarHBondContact O-N 3.19Å; A144-L148 PolarHBondContact O-N 3.05Å |
| 145 | V | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -51.1 | 172.2 | 176.3 | 0 | 0 | 0 | 0 | 110 | L121 L122 V141 M142 W147 L148 L149 V159 M183 | L121-V145 HydrophobicContact CB-CG2 3.67Å; L121-V145 HydrophobicContact CD1-CG2 4.08Å; L122-V145 HydrophobicContact CD2-CG1 4.42Å; L122-V145 HydrophobicContact CD2-CG2 4.25Å; V141-V145 WeakPolarHBondContact O-CG2 3.46Å; V141-V145 PolarHBondContact O-N 3.42Å; M142-V145 PolarHBondContact O-N 3.09Å; V145-W147 VanDerWaalsContact C-N 3.3Å; V145-W147 PolarHBondContact O-N 3.42Å; V145-L148 WeakPolarHBondContact O-CB 3.47Å; V145-L148 PolarHBondContact O-N 3.35Å; V145-L148 VanDerWaalsContact O-N 3.1Å; V145-L149 HydrophobicContact CG1-CD1 4.02Å; V145-L149 HydrophobicContact CG1-CG 4.25Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 3.06Å; V145-V159 HydrophobicContact CG1-CG2 4.33Å; V145-M183 HydrophobicContact CB-SD 3.9Å; V145-M183 HydrophobicContact CG1-SD 3.68Å |
| 146 | G | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -38.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M142 D143 S150 T187 | M142-G146 PolarHBondContact O-N 3.28Å; D143-G146 PolarHBondContact O-N 3.06Å; G146-S150 WeakPolarHBondContact O-CB 3.42Å; G146-S150 PolarHBondContact O-N 3.3Å; G146-T187 WeakPolarHBondContact CA-OG1 3.46Å; G146-T187 PolarHBondContact O-OG1 3Å |
| 147 | W | 97.7 | Very high | 97.3 | Very high | 105 Ų | 105 | 28 Ų | 28 | 40% | 0.398 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 174 | -175.5 | -112.3 | 0 | 0 | 0 | 111.8 | V98 D143 V145 L149 S150 A151 V190 | V98-W147 HydrophobicContact CG1-CZ2 4.19Å; V98-W147 HydrophobicContact CG2-CG 4.41Å; D143-W147 WeakPolarHBondContact O-CB 3.49Å; D143-W147 PolarHBondContact O-N 3.2Å; V145-W147 VanDerWaalsContact C-N 3.3Å; V145-W147 PolarHBondContact O-N 3.42Å; W147-L149 PolarHBondContact O-N 3.5Å; W147-S150 PolarHBondContact O-N 2.98Å; W147-S150 PolarHBondContact O-OG 3.1Å; W147-A151 PolarHBondContact O-N 3.5Å; W147-V190 HydrophobicContact CE3-CG1 4.4Å; W147-V190 HydrophobicContact CZ3-CG1 3.93Å |
| 148 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 179.2 | -165.5 | 65 | 0 | 0 | 0 | 111.7 | C97 V98 L114 V117 V118 A144 V145 S150 A151 H152 L155 | C97-L148 HydrophobicContact CB-CD1 3.55Å; V98-L148 HydrophobicContact CG2-CD1 4.03Å; L114-L148 HydrophobicContact CD2-CD1 4.16Å; V117-L148 HydrophobicContact CB-CD2 4.3Å; V117-L148 HydrophobicContact CG1-CD2 3.87Å; V118-L148 HydrophobicContact CG2-CD2 3.67Å; A144-L148 PolarHBondContact O-N 3.05Å; V145-L148 WeakPolarHBondContact O-CB 3.47Å; V145-L148 PolarHBondContact O-N 3.35Å; V145-L148 VanDerWaalsContact O-N 3.1Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.02Å; L148-A151 PolarHBondContact O-N 2.8Å; L148-H152 WeakPolarHBondContact O-CB 3.41Å; L148-H152 PolarHBondContact O-N 3.4Å; L148-L155 HydrophobicContact CD2-CD1 4.07Å; L148-L155 HydrophobicContact CG-CD1 3.96Å |
| 149 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -36.9 | 176.9 | -66.2 | -178 | 0 | 0 | 0 | 112.5 | V145 W147 A151 H152 P153 L155 V159 W184 T187 F194 | V145-L149 HydrophobicContact CG1-CD1 4.02Å; V145-L149 HydrophobicContact CG1-CG 4.25Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 3.06Å; W147-L149 PolarHBondContact O-N 3.5Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 3.25Å; L149-H152 CarbonylContact O-C 3.26Å; L149-H152 VanDerWaalsContact O-C 3.26Å; L149-H152 PolarHBondContact O-N 3.18Å; L149-P153 WeakPolarHBondContact O-CA 3.2Å; L149-L155 HydrophobicContact CD2-CB 3.64Å; L149-V159 HydrophobicContact CD1-CG2 4.09Å; L149-V159 HydrophobicContact CD2-CG2 3.83Å; L149-V159 HydrophobicContact CG-CG2 4.41Å; L149-W184 HydrophobicContact CD1-CE3 4.38Å; L149-W184 HydrophobicContact CD1-CH2 3.67Å; L149-W184 HydrophobicContact CD1-CZ3 3.5Å; L149-T187 HydrophobicContact CB-CG2 3.89Å; L149-F194 HydrophobicContact CB-CE2 4.31Å |
| 150 | S | 97.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 179.4 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | G146 W147 L148 N191 | G146-S150 WeakPolarHBondContact O-CB 3.42Å; G146-S150 PolarHBondContact O-N 3.3Å; W147-S150 PolarHBondContact O-N 2.98Å; W147-S150 PolarHBondContact O-OG 3.1Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.02Å; S150-N191 WeakPolarHBondContact O-CB 3.24Å; S150-N191 PolarHBondContact O-ND2 3.47Å |
| 151 | A | 97.1 | Very high | 97.2 | Very high | 40 Ų | 40 | 26.9 Ų | 26.9 | 33% | 0.331 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -83.8 | -27.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V98 W147 L148 L149 | V98-A151 HydrophobicContact CB-CB 4.1Å; V98-A151 HydrophobicContact CG1-CB 3.54Å; V98-A151 HydrophobicContact CG2-CB 3.62Å; W147-A151 PolarHBondContact O-N 3.5Å; L148-A151 PolarHBondContact O-N 2.8Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 3.25Å |
| 152 | H | 97.1 | Very high | 97.2 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | trans | -132.3 | 72.5 | -173 | -60.2 | -61.1 | 0 | 0 | 0 | 111.8 | L114 L148 L149 H154 L155 | L114-H152 HydrophobicContact CD1-CB 4.3Å; L148-H152 WeakPolarHBondContact O-CB 3.41Å; L148-H152 PolarHBondContact O-N 3.4Å; L149-H152 CarbonylContact O-C 3.26Å; L149-H152 VanDerWaalsContact O-C 3.26Å; L149-H152 PolarHBondContact O-N 3.18Å; H152-H154 PolarHBondContact O-N 3.22Å; H152-L155 HydrophobicContact CB-CD1 3.62Å; H152-L155 HydrophobicContact CB-CG 4.06Å; H152-L155 WeakPolarHBondContact O-CB 3.44Å; H152-L155 PolarHBondContact O-N 3.32Å | ||
| 153 | P | 96.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -62.1 | -21.3 | -172.4 | -27.5 | 39.1 | 0 | 0 | 0 | 114.7 | L149 L155 T156 F194 Q197 L198 | L149-P153 WeakPolarHBondContact O-CA 3.2Å; P153-L155 PolarHBondContact O-N 2.73Å; P153-T156 WeakPolarHBondContact O-CB 3.44Å; P153-T156 PolarHBondContact O-N 3.46Å; P153-T156 PolarHBondContact O-OG1 3.29Å; P153-F194 HydrophobicContact CB-CD2 3.83Å; P153-F194 HydrophobicContact CB-CE2 3.97Å; P153-F194 HydrophobicContact CG-CD2 3.86Å; P153-F194 HydrophobicContact CG-CE2 4.39Å; P153-Q197 HydrophobicContact CB-CB 4.04Å; P153-Q197 HydrophobicContact CG-CB 4.34Å; P153-L198 HydrophobicContact CB-CD2 4.36Å |
| 154 | H | 95.6 | Very high | 97 | Very high | 104 Ų | 104 | 30.7 Ų | 30.7 | 48% | 0.481 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -60.5 | -23.1 | 175.4 | 67.5 | -84.6 | 0 | 0 | 0 | 113.7 | H110 H152 T156 | H110-H154 AromaticContact CD2-CE1 4Å; H152-H154 PolarHBondContact O-N 3.22Å; H154-T156 PolarHBondContact O-N 3.31Å |
| 155 | L | 97.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -74.3 | -14.1 | 176.9 | -61.8 | 172.9 | 0 | 0 | 0 | 112.9 | L114 P115 V118 L148 L149 H152 P153 A157 Q158 V159 | L114-L155 HydrophobicContact CB-CD1 4.03Å; L114-L155 HydrophobicContact CB-CD2 4.01Å; L114-L155 HydrophobicContact CD1-CD1 4.41Å; P115-L155 HydrophobicContact CG-CD2 4.03Å; V118-L155 HydrophobicContact CG2-CB 4.23Å; V118-L155 HydrophobicContact CG2-CD1 3.82Å; V118-L155 HydrophobicContact CG2-CD2 4.41Å; V118-L155 HydrophobicContact CG2-CG 4.37Å; L148-L155 HydrophobicContact CD2-CD1 4.07Å; L148-L155 HydrophobicContact CG-CD1 3.96Å; L149-L155 HydrophobicContact CD2-CB 3.64Å; H152-L155 HydrophobicContact CB-CD1 3.62Å; H152-L155 HydrophobicContact CB-CG 4.06Å; H152-L155 WeakPolarHBondContact O-CB 3.44Å; H152-L155 PolarHBondContact O-N 3.32Å; P153-L155 PolarHBondContact O-N 2.73Å; L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 2.98Å; L155-Q158 WeakPolarHBondContact O-CB 3.41Å; L155-Q158 PolarHBondContact O-N 3.5Å; L155-V159 PolarHBondContact O-N 3.4Å |
| 156 | T | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.8 | -40.4 | -176.8 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | P153 H154 Q158 V159 L160 W184 F194 L198 | P153-T156 WeakPolarHBondContact O-CB 3.44Å; P153-T156 PolarHBondContact O-N 3.46Å; P153-T156 PolarHBondContact O-OG1 3.29Å; H154-T156 PolarHBondContact O-N 3.31Å; T156-Q158 VanDerWaalsContact C-N 3.28Å; T156-Q158 PolarHBondContact O-N 3.32Å; T156-V159 PolarHBondContact O-N 2.63Å; T156-L160 HydrophobicContact CG2-CD1 3.72Å; T156-L160 HydrophobicContact CG2-CG 4.34Å; T156-L160 WeakPolarHBondContact O-CG 3.4Å; T156-L160 PolarHBondContact O-N 2.79Å; T156-W184 HydrophobicContact CG2-CH2 3.86Å; T156-W184 HydrophobicContact CG2-CZ3 3.86Å; T156-F194 HydrophobicContact CG2-CZ 4.09Å; T156-F194 WeakPolarHBondContact OG1-CE2 3.36Å; T156-F194 VanDerWaalsContact OG1-CZ 3.3Å; T156-F194 WeakPolarHBondContact OG1-CZ 3.35Å; T156-L198 HydrophobicContact CG2-CD1 4.25Å; T156-L198 HydrophobicContact CG2-CD2 3.72Å; T156-L198 WeakPolarHBondContact OG1-CD2 3.33Å |
| 157 | A | 95.3 | Very high | 96.5 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 37% | 0.372 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L155 S161 S202 | L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 2.98Å; A157-S161 WeakPolarHBondContact O-CB 3.32Å; A157-S161 PolarHBondContact O-N 3.35Å; A157-S161 PolarHBondContact O-OG 3.36Å; A157-S202 WeakPolarHBondContact CB-OG 3.49Å |
| 158 | Q | 96.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 179.1 | -176.3 | -172.7 | -17.1 | 0 | 0 | 111.6 | P115 L155 T156 S161 S162 | P115-Q158 PolarHBondContact O-NE2 3.01Å; L155-Q158 WeakPolarHBondContact O-CB 3.41Å; L155-Q158 PolarHBondContact O-N 3.5Å; T156-Q158 VanDerWaalsContact C-N 3.28Å; T156-Q158 PolarHBondContact O-N 3.32Å; Q158-S161 WeakPolarHBondContact CA-OG 3.3Å; Q158-S161 CarbonylContact O-C 3.55Å; Q158-S161 PolarHBondContact O-N 3.27Å; Q158-S161 PolarHBondContact O-OG 3.19Å; Q158-S162 WeakPolarHBondContact O-CB 3.28Å; Q158-S162 PolarHBondContact O-N 2.98Å |
| 159 | V | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | V118 L122 V145 L149 L155 T156 S161 S162 Y165 W184 | V118-V159 HydrophobicContact CG1-CG2 3.48Å; V118-V159 VanDerWaalsContact CG1-CG2 3.48Å; L122-V159 HydrophobicContact CD1-CB 4.45Å; L122-V159 HydrophobicContact CD1-CG1 4.3Å; L122-V159 HydrophobicContact CD1-CG2 4.22Å; L122-V159 HydrophobicContact CD2-CG1 4.43Å; V145-V159 HydrophobicContact CG1-CG2 4.33Å; L149-V159 HydrophobicContact CD1-CG2 4.09Å; L149-V159 HydrophobicContact CD2-CG2 3.83Å; L149-V159 HydrophobicContact CG-CG2 4.41Å; L155-V159 PolarHBondContact O-N 3.4Å; T156-V159 PolarHBondContact O-N 2.63Å; V159-S161 PolarHBondContact O-N 2.87Å; V159-S162 WeakPolarHBondContact O-CB 3.12Å; V159-S162 PolarHBondContact O-N 3.41Å; V159-S162 VanDerWaalsContact O-N 3.1Å; V159-Y165 HydrophobicContact CG1-CD1 4.05Å; V159-Y165 HydrophobicContact CG1-CD2 4.22Å; V159-Y165 HydrophobicContact CG1-CE1 4.35Å; V159-Y165 HydrophobicContact CG1-CG 3.99Å; V159-Y165 VanDerWaalsContact O-CB 3.32Å; V159-Y165 WeakPolarHBondContact O-CB 3.47Å; V159-Y165 WeakPolarHBondContact O-CD1 3.41Å; V159-W184 HydrophobicContact CB-CH2 4.28Å; V159-W184 HydrophobicContact CG1-CH2 3.96Å; V159-W184 HydrophobicContact CG1-CZ2 3.86Å |
| 160 | L | 96 | Very high | 95.7 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -23.2 | -179.3 | -65.8 | 168.4 | 0 | 0 | 0 | 112.9 | T156 Y165 W184 S202 L205 L206 D209 | T156-L160 HydrophobicContact CG2-CD1 3.72Å; T156-L160 HydrophobicContact CG2-CG 4.34Å; T156-L160 WeakPolarHBondContact O-CG 3.4Å; T156-L160 PolarHBondContact O-N 2.79Å; L160-Y165 HydrophobicContact CD2-CE1 4.36Å; L160-W184 HydrophobicContact CD2-CH2 4.15Å; L160-W184 HydrophobicContact CD2-CZ2 3.57Å; L160-W184 HydrophobicContact CG-CH2 4.18Å; L160-W184 HydrophobicContact CG-CZ2 4.07Å; L160-S202 VanDerWaalsContact CD1-O 3.24Å; L160-S202 WeakPolarHBondContact CD1-O 3.22Å; L160-L205 HydrophobicContact CB-CB 4.28Å; L160-L205 HydrophobicContact CB-CD1 4.15Å; L160-L205 HydrophobicContact CD1-CB 3.87Å; L160-L205 HydrophobicContact CG-CB 4.47Å; L160-L206 HydrophobicContact CD1-CB 4.29Å; L160-D209 WeakPolarHBondContact CD2-OD2 3.33Å |
| 161 | S | 94.8 | Very high | 95.4 | Very high | 90 Ų | 90 | 46.2 Ų | 46.2 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 1.2 | 175.4 | 67.9 | 0 | 0 | 0 | 0 | 114.6 | A157 Q158 V159 | A157-S161 WeakPolarHBondContact O-CB 3.32Å; A157-S161 PolarHBondContact O-N 3.35Å; A157-S161 PolarHBondContact O-OG 3.36Å; Q158-S161 WeakPolarHBondContact CA-OG 3.3Å; Q158-S161 CarbonylContact O-C 3.55Å; Q158-S161 PolarHBondContact O-N 3.27Å; Q158-S161 PolarHBondContact O-OG 3.19Å; V159-S161 PolarHBondContact O-N 2.87Å |
| 162 | S | 97 | Very high | 95 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | trans | -80.3 | 129 | -172.1 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | Q158 V159 H164 Y165 E166 | Q158-S162 WeakPolarHBondContact O-CB 3.28Å; Q158-S162 PolarHBondContact O-N 2.98Å; V159-S162 WeakPolarHBondContact O-CB 3.12Å; V159-S162 PolarHBondContact O-N 3.41Å; V159-S162 VanDerWaalsContact O-N 3.1Å; S162-H164 PolarHBondContact O-N 2.86Å; S162-H164 PolarHBondContact OG-N 2.95Å; S162-Y165 PolarHBondContact O-N 3.32Å; S162-Y165 PolarHBondContact OG-N 2.85Å; S162-E166 PolarHBondContact O-N 3.09Å | ||
| 163 | A | 95.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.3 | -31.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q167 | A163-Q167 WeakPolarHBondContact O-CB 3.27Å; A163-Q167 PolarHBondContact O-N 2.62Å |
| 164 | H | 95.9 | Very high | 94.6 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 174.2 | -68.9 | -45.4 | 0 | 0 | 0 | 111.5 | D119 L122 S123 S162 Q167 I168 | D119-H164 IonicContact OD1-CD2 3.96Å; L122-H164 HydrophobicContact CB-CB 3.79Å; S123-H164 PolarHBondContact OG-NE2 3.45Å; S162-H164 PolarHBondContact O-N 2.86Å; S162-H164 PolarHBondContact OG-N 2.95Å; H164-Q167 PolarHBondContact O-N 3.27Å; H164-I168 WeakPolarHBondContact O-CD1 3.48Å; H164-I168 VanDerWaalsContact O-CG1 3.25Å; H164-I168 WeakPolarHBondContact O-CG1 3.24Å; H164-I168 PolarHBondContact O-N 3.34Å; H164-I168 VanDerWaalsContact O-N 3.15Å |
| 165 | Y | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 177.9 | -171 | -118.9 | 0 | 0 | 0 | 111.9 | L122 M142 V159 L160 S162 Q167 I168 Q169 M183 W184 | L122-Y165 HydrophobicContact CD2-CD2 3.99Å; L122-Y165 HydrophobicContact CD2-CG 4.46Å; M142-Y165 HydrophobicContact CE-CE2 4.02Å; V159-Y165 HydrophobicContact CG1-CD1 4.05Å; V159-Y165 HydrophobicContact CG1-CD2 4.22Å; V159-Y165 HydrophobicContact CG1-CE1 4.35Å; V159-Y165 HydrophobicContact CG1-CG 3.99Å; V159-Y165 VanDerWaalsContact O-CB 3.32Å; V159-Y165 WeakPolarHBondContact O-CB 3.47Å; V159-Y165 WeakPolarHBondContact O-CD1 3.41Å; L160-Y165 HydrophobicContact CD2-CE1 4.36Å; S162-Y165 PolarHBondContact O-N 3.32Å; S162-Y165 PolarHBondContact OG-N 2.85Å; Y165-Q167 VanDerWaalsContact C-N 3.32Å; Y165-Q167 PolarHBondContact O-N 3.22Å; Y165-I168 WeakPolarHBondContact O-CB 3.29Å; Y165-I168 PolarHBondContact O-N 3.48Å; Y165-I168 VanDerWaalsContact O-N 3.1Å; Y165-Q169 HydrophobicContact CD1-CG 4.3Å; Y165-Q169 HydrophobicContact CE1-CG 3.95Å; Y165-Q169 HydrophobicContact CE2-CG 4.29Å; Y165-Q169 WeakPolarHBondContact O-CG 3.33Å; Y165-Q169 PolarHBondContact O-N 3.32Å; Y165-Q169 PolarHBondContact OH-NE2 3.38Å; Y165-M183 HydrophobicContact CE2-CE 4.24Å; Y165-W184 HydrophobicContact CE1-CZ2 4.24Å; Y165-W184 AromaticContact CZ-NE1 3.72Å; Y165-W184 PolarHBondContact OH-NE1 3.43Å |
| 166 | E | 94.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 55 Ų | 55 | 58% | 0.579 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -55.4 | -47.4 | 173 | -177.1 | 180 | -164.1 | 0 | 0 | 111.1 | S162 I168 Q169 M170 | S162-E166 PolarHBondContact O-N 3.09Å; E166-I168 VanDerWaalsContact C-N 3.29Å; E166-I168 PolarHBondContact O-N 3.42Å; E166-Q169 PolarHBondContact O-N 2.98Å; E166-Q169 VanDerWaalsContact O-N 3.1Å; E166-M170 VanDerWaalsContact O-CG 3.3Å; E166-M170 WeakPolarHBondContact O-CG 3.37Å; E166-M170 PolarHBondContact O-N 3.49Å |
| 167 | Q | 93.4 | Very high | 94.3 | Very high | 107 Ų | 107 | 55.5 Ų | 55.5 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 176.3 | -175.3 | -175.7 | -1.4 | 0 | 0 | 112.7 | A163 H164 Y165 M170 | A163-Q167 WeakPolarHBondContact O-CB 3.27Å; A163-Q167 PolarHBondContact O-N 2.62Å; H164-Q167 PolarHBondContact O-N 3.27Å; Y165-Q167 VanDerWaalsContact C-N 3.32Å; Y165-Q167 PolarHBondContact O-N 3.22Å; Q167-M170 PolarHBondContact O-N 2.94Å |
| 168 | I | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 176.4 | -67 | 161.6 | 0 | 0 | 0 | 110.2 | A125 V129 H164 Y165 E166 M170 S171 V176 C180 | A125-I168 HydrophobicContact CB-CD1 3.56Å; V129-I168 HydrophobicContact CG2-CG1 4.28Å; V129-I168 HydrophobicContact CG2-CG2 4.23Å; H164-I168 WeakPolarHBondContact O-CD1 3.48Å; H164-I168 VanDerWaalsContact O-CG1 3.25Å; H164-I168 WeakPolarHBondContact O-CG1 3.24Å; H164-I168 PolarHBondContact O-N 3.34Å; H164-I168 VanDerWaalsContact O-N 3.15Å; Y165-I168 WeakPolarHBondContact O-CB 3.29Å; Y165-I168 PolarHBondContact O-N 3.48Å; Y165-I168 VanDerWaalsContact O-N 3.1Å; E166-I168 VanDerWaalsContact C-N 3.29Å; E166-I168 PolarHBondContact O-N 3.42Å; I168-M170 VanDerWaalsContact C-N 3.29Å; I168-M170 PolarHBondContact O-N 3.18Å; I168-S171 WeakPolarHBondContact O-CB 3.38Å; I168-S171 PolarHBondContact O-N 2.8Å; I168-V176 HydrophobicContact CG2-CG1 3.61Å; I168-V176 WeakPolarHBondContact O-CG1 3.39Å; I168-C180 VanDerWaalsContact CG2-SG 3.56Å |
| 169 | Q | 91.2 | Very high | 94.3 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.9 | -27.5 | -179.1 | -70.4 | 180 | -57.6 | 0 | 0 | 113.5 | Y165 E166 S171 D209 | Y165-Q169 HydrophobicContact CD1-CG 4.3Å; Y165-Q169 HydrophobicContact CE1-CG 3.95Å; Y165-Q169 HydrophobicContact CE2-CG 4.29Å; Y165-Q169 WeakPolarHBondContact O-CG 3.33Å; Y165-Q169 PolarHBondContact O-N 3.32Å; Y165-Q169 PolarHBondContact OH-NE2 3.38Å; E166-Q169 PolarHBondContact O-N 2.98Å; E166-Q169 VanDerWaalsContact O-N 3.1Å; Q169-S171 PolarHBondContact O-N 2.93Å; Q169-D209 PolarHBondContact NE2-OD2 3.15Å |
| 170 | M | 90.1 | Very high | 94.3 | Very high | 148 Ų | 148 | 52.8 Ų | 52.8 | 73% | 0.729 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 3.6 | 175.3 | -66.5 | -62 | -68 | 0 | 0 | 113.4 | E166 Q167 I168 | E166-M170 VanDerWaalsContact O-CG 3.3Å; E166-M170 WeakPolarHBondContact O-CG 3.37Å; E166-M170 PolarHBondContact O-N 3.49Å; Q167-M170 PolarHBondContact O-N 2.94Å; I168-M170 VanDerWaalsContact C-N 3.29Å; I168-M170 PolarHBondContact O-N 3.18Å |
| 171 | S | 90.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | trans | -69.7 | 133.3 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | I168 Q169 D173 | I168-S171 WeakPolarHBondContact O-CB 3.38Å; I168-S171 PolarHBondContact O-N 2.8Å; Q169-S171 PolarHBondContact O-N 2.93Å; S171-D173 PolarHBondContact O-N 2.88Å; S171-D173 PolarHBondContact OG-N 3.38Å | ||
| 172 | D | 88.8 | Confident | 94.4 | Very high | 168 Ų | 168 | 50.6 Ų | 50.6 | 90% | 0.898 | 27% | 0.273 | S | S | * | . | trans | -76 | -2.9 | 172.7 | -62.8 | -42.1 | 0 | 0 | 0 | 113.1 | V174 | D172-V174 PolarHBondContact O-N 3.36Š| ||
| 173 | D | 92.3 | Very high | 94.5 | Very high | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | trans | -79.5 | 113.1 | 179.1 | -171.3 | -31.9 | 0 | 0 | 0 | 110.7 | S171 T175 V176 S177 | S171-D173 PolarHBondContact O-N 2.88Å; S171-D173 PolarHBondContact OG-N 3.38Å; D173-T175 PolarHBondContact O-N 3.27Å; D173-T175 VanDerWaalsContact O-N 3.1Å; D173-T175 WeakPolarHBondContact OD1-CA 3.25Å; D173-T175 WeakPolarHBondContact OD1-CB 3.06Å; D173-T175 PolarHBondContact OD1-N 2.9Å; D173-T175 PolarHBondContact OD1-OG1 3.46Å; D173-V176 HydrophobicContact CB-CB 4.19Å; D173-V176 HydrophobicContact CB-CG2 3.76Å; D173-V176 WeakPolarHBondContact O-CA 3.28Å; D173-V176 WeakPolarHBondContact O-CB 3.48Å; D173-V176 PolarHBondContact O-N 3.3Å; D173-S177 PolarHBondContact O-N 2.89Å; D173-S177 VanDerWaalsContact O-N 3.09Å | ||
| 174 | V | 93.7 | Very high | 94.6 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51.2 | -35.1 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | D172 L178 D219 V222 | D172-V174 PolarHBondContact O-N 3.36Å; V174-L178 VanDerWaalsContact O-CB 3.28Å; V174-L178 WeakPolarHBondContact O-CB 3.49Å; V174-L178 PolarHBondContact O-N 3.33Å; V174-D219 HydrophobicContact CG1-CB 3.59Å; V174-D219 VanDerWaalsContact CG1-CG 3.4Å; V174-D219 HydrophobicContact CG2-CB 4.23Å; V174-V222 HydrophobicContact CG1-CG2 3.78Å |
| 175 | T | 94.6 | Very high | 94.7 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.3 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | P135 D173 L178 L179 | P135-T175 HydrophobicContact CB-CG2 3.95Å; P135-T175 HydrophobicContact CG-CG2 4.29Å; D173-T175 PolarHBondContact O-N 3.27Å; D173-T175 VanDerWaalsContact O-N 3.1Å; D173-T175 WeakPolarHBondContact OD1-CA 3.25Å; D173-T175 WeakPolarHBondContact OD1-CB 3.06Å; D173-T175 PolarHBondContact OD1-N 2.9Å; D173-T175 PolarHBondContact OD1-OG1 3.46Å; T175-L178 PolarHBondContact O-N 3.42Å; T175-L179 HydrophobicContact CG2-CD1 4.34Å; T175-L179 WeakPolarHBondContact O-CB 3.32Å; T175-L179 VanDerWaalsContact O-CG 3.25Å; T175-L179 WeakPolarHBondContact O-CG 3.37Å; T175-L179 PolarHBondContact O-N 2.96Å |
| 176 | V | 95.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 110 | V129 L138 I168 D173 L178 L179 C180 | V129-V176 HydrophobicContact CG1-CG1 4.47Å; V129-V176 HydrophobicContact CG1-CG2 4.35Å; V129-V176 HydrophobicContact CG2-CG1 3.89Å; V129-V176 HydrophobicContact CG2-CG2 4.03Å; L138-V176 HydrophobicContact CD2-CB 4.47Å; L138-V176 HydrophobicContact CD2-CG1 4.36Å; L138-V176 HydrophobicContact CD2-CG2 3.82Å; I168-V176 HydrophobicContact CG2-CG1 3.61Å; I168-V176 WeakPolarHBondContact O-CG1 3.39Å; D173-V176 HydrophobicContact CB-CB 4.19Å; D173-V176 HydrophobicContact CB-CG2 3.76Å; D173-V176 WeakPolarHBondContact O-CA 3.28Å; D173-V176 WeakPolarHBondContact O-CB 3.48Å; D173-V176 PolarHBondContact O-N 3.3Å; V176-L178 VanDerWaalsContact C-N 3.33Å; V176-L178 PolarHBondContact O-N 3.1Å; V176-L179 PolarHBondContact O-N 2.74Å; V176-C180 PolarHBondContact O-N 2.99Å; V176-C180 PolarHBondContact O-SG 3Å |
| 177 | S | 94.7 | Very high | 94.8 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | D173 L179 C180 I181 Q213 | D173-S177 PolarHBondContact O-N 2.89Å; D173-S177 VanDerWaalsContact O-N 3.09Å; S177-L179 PolarHBondContact O-N 3.43Å; S177-C180 PolarHBondContact O-N 3.41Å; S177-I181 PolarHBondContact O-N 3.35Å; S177-Q213 VanDerWaalsContact CB-OE1 3.28Å; S177-Q213 PolarHBondContact OG-OE1 3.14Å |
| 178 | L | 96.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.6 | -177.6 | 60.2 | 0 | 0 | 0 | 111.6 | V174 T175 V176 C180 I181 Q182 A221 V222 A225 | V174-L178 VanDerWaalsContact O-CB 3.28Å; V174-L178 WeakPolarHBondContact O-CB 3.49Å; V174-L178 PolarHBondContact O-N 3.33Å; T175-L178 PolarHBondContact O-N 3.42Å; V176-L178 VanDerWaalsContact C-N 3.33Å; V176-L178 PolarHBondContact O-N 3.1Å; L178-C180 VanDerWaalsContact C-N 3.34Å; L178-C180 PolarHBondContact O-N 3.33Å; L178-I181 PolarHBondContact O-N 2.93Å; L178-Q182 HydrophobicContact CD1-CG 4.13Å; L178-Q182 HydrophobicContact CG-CG 4.25Å; L178-Q182 VanDerWaalsContact O-CB 3.27Å; L178-Q182 WeakPolarHBondContact O-CB 3.45Å; L178-Q182 WeakPolarHBondContact O-CG 3.4Å; L178-Q182 PolarHBondContact O-N 2.85Å; L178-A221 HydrophobicContact CD1-CB 4.41Å; L178-A221 HydrophobicContact CD2-CB 4.3Å; L178-V222 HydrophobicContact CB-CG2 4.07Å; L178-A225 HydrophobicContact CD1-CB 3.88Å |
| 179 | L | 96.6 | Very high | 95 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 177.5 | -73.5 | 172.6 | 0 | 0 | 0 | 112.2 | L138 R139 T175 V176 S177 Q182 M183 | L138-L179 HydrophobicContact CB-CD1 4.23Å; L138-L179 HydrophobicContact CD2-CD1 3.78Å; L138-L179 HydrophobicContact CG-CD1 3.89Å; R139-L179 HydrophobicContact CB-CD1 4.39Å; R139-L179 HydrophobicContact CB-CD2 3.73Å; R139-L179 HydrophobicContact CG-CD2 3.8Å; T175-L179 HydrophobicContact CG2-CD1 4.34Å; T175-L179 WeakPolarHBondContact O-CB 3.32Å; T175-L179 VanDerWaalsContact O-CG 3.25Å; T175-L179 WeakPolarHBondContact O-CG 3.37Å; T175-L179 PolarHBondContact O-N 2.96Å; V176-L179 PolarHBondContact O-N 2.74Å; S177-L179 PolarHBondContact O-N 3.43Å; L179-Q182 PolarHBondContact O-N 3.03Å; L179-M183 WeakPolarHBondContact O-CB 3.38Å; L179-M183 PolarHBondContact O-N 3.09Å |
| 180 | C | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 176 | -69.8 | 0 | 0 | 0 | 0 | 112 | I168 V176 S177 L178 M183 W184 | I168-C180 VanDerWaalsContact CG2-SG 3.56Å; V176-C180 PolarHBondContact O-N 2.99Å; V176-C180 PolarHBondContact O-SG 3Å; S177-C180 PolarHBondContact O-N 3.41Å; L178-C180 VanDerWaalsContact C-N 3.34Å; L178-C180 PolarHBondContact O-N 3.33Å; C180-M183 PolarHBondContact O-N 3.01Å; C180-W184 PolarHBondContact O-N 2.91Å |
| 181 | I | 97.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.6 | -37.1 | 178.9 | -62.1 | -61.7 | 0 | 0 | 0 | 111.2 | S177 L178 M183 W184 I185 Q213 A225 L229 | S177-I181 PolarHBondContact O-N 3.35Å; L178-I181 PolarHBondContact O-N 2.93Å; I181-M183 PolarHBondContact O-N 3.11Å; I181-W184 PolarHBondContact O-N 2.79Å; I181-I185 HydrophobicContact CG2-CD1 3.84Å; I181-I185 HydrophobicContact CG2-CG1 4.35Å; I181-I185 WeakPolarHBondContact O-CG1 3.44Å; I181-I185 PolarHBondContact O-N 3.33Å; I181-Q213 HydrophobicContact CD1-CB 4.11Å; I181-Q213 HydrophobicContact CD1-CG 3.92Å; I181-Q213 HydrophobicContact CG1-CB 4.2Å; I181-Q213 HydrophobicContact CG1-CG 4.11Å; I181-A225 HydrophobicContact CB-CB 4.36Å; I181-A225 HydrophobicContact CG2-CB 3.66Å; I181-L229 HydrophobicContact CD1-CD2 4.22Å; I181-L229 HydrophobicContact CG2-CB 4.35Å; I181-L229 HydrophobicContact CG2-CD2 4.29Å |
| 182 | Q | 97.2 | Very high | 95.5 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.7 | -79.3 | 178.3 | -7.8 | 0 | 0 | 112.5 | L178 L179 W184 I185 Q186 | L178-Q182 HydrophobicContact CD1-CG 4.13Å; L178-Q182 HydrophobicContact CG-CG 4.25Å; L178-Q182 VanDerWaalsContact O-CB 3.27Å; L178-Q182 WeakPolarHBondContact O-CB 3.45Å; L178-Q182 WeakPolarHBondContact O-CG 3.4Å; L178-Q182 PolarHBondContact O-N 2.85Å; L179-Q182 PolarHBondContact O-N 3.03Å; Q182-W184 VanDerWaalsContact C-N 3.34Å; Q182-W184 PolarHBondContact O-N 3.4Å; Q182-I185 PolarHBondContact O-N 3.49Å; Q182-Q186 WeakPolarHBondContact O-CB 3.39Å; Q182-Q186 WeakPolarHBondContact O-CG 3.3Å; Q182-Q186 PolarHBondContact O-N 3.2Å |
| 183 | M | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.7 | -51.9 | 173.9 | 178.2 | -164.2 | 70.9 | 0 | 0 | 110.5 | M142 V145 Y165 L179 C180 I181 I185 Q186 T187 | M142-M183 HydrophobicContact CE-CB 4.45Å; M142-M183 HydrophobicContact CE-CE 4.19Å; M142-M183 HydrophobicContact CE-SD 3.57Å; M142-M183 VanDerWaalsContact CE-SD 3.57Å; M142-M183 WeakPolarHBondContact O-CG 3.35Å; V145-M183 HydrophobicContact CB-SD 3.9Å; V145-M183 HydrophobicContact CG1-SD 3.68Å; Y165-M183 HydrophobicContact CE2-CE 4.24Å; L179-M183 WeakPolarHBondContact O-CB 3.38Å; L179-M183 PolarHBondContact O-N 3.09Å; C180-M183 PolarHBondContact O-N 3.01Å; I181-M183 PolarHBondContact O-N 3.11Å; M183-I185 PolarHBondContact O-N 2.71Å; M183-Q186 PolarHBondContact O-N 3.24Å; M183-T187 PolarHBondContact O-N 3.37Å; M183-T187 PolarHBondContact O-OG1 3.1Å; M183-T187 VanDerWaalsContact O-OG1 3.08Å |
| 184 | W | 98 | Very high | 96 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 179.7 | -69.6 | 123.7 | 0 | 0 | 0 | 113.4 | L149 T156 V159 L160 Y165 C180 I181 Q182 Q186 T187 C188 F194 L206 L229 | L149-W184 HydrophobicContact CD1-CE3 4.38Å; L149-W184 HydrophobicContact CD1-CH2 3.67Å; L149-W184 HydrophobicContact CD1-CZ3 3.5Å; T156-W184 HydrophobicContact CG2-CH2 3.86Å; T156-W184 HydrophobicContact CG2-CZ3 3.86Å; V159-W184 HydrophobicContact CB-CH2 4.28Å; V159-W184 HydrophobicContact CG1-CH2 3.96Å; V159-W184 HydrophobicContact CG1-CZ2 3.86Å; L160-W184 HydrophobicContact CD2-CH2 4.15Å; L160-W184 HydrophobicContact CD2-CZ2 3.57Å; L160-W184 HydrophobicContact CG-CH2 4.18Å; L160-W184 HydrophobicContact CG-CZ2 4.07Å; Y165-W184 HydrophobicContact CE1-CZ2 4.24Å; Y165-W184 AromaticContact CZ-NE1 3.72Å; Y165-W184 PolarHBondContact OH-NE1 3.43Å; C180-W184 PolarHBondContact O-N 2.91Å; I181-W184 PolarHBondContact O-N 2.79Å; Q182-W184 VanDerWaalsContact C-N 3.34Å; Q182-W184 PolarHBondContact O-N 3.4Å; W184-Q186 VanDerWaalsContact C-N 3.31Å; W184-Q186 PolarHBondContact O-N 3.26Å; W184-T187 PolarHBondContact O-N 3.37Å; W184-C188 WeakPolarHBondContact O-CB 3.36Å; W184-C188 PolarHBondContact O-N 2.9Å; W184-C188 PolarHBondContact O-SG 3.4Å; W184-F194 HydrophobicContact CE3-CE1 4.47Å; W184-F194 HydrophobicContact CE3-CZ 4.35Å; W184-F194 HydrophobicContact CZ3-CE1 4.49Å; W184-F194 AromaticContact CZ3-CZ 3.99Å; W184-F194 HydrophobicContact CZ3-CZ 3.99Å; W184-L206 HydrophobicContact CB-CD1 4.03Å; W184-L206 HydrophobicContact CD2-CD1 3.39Å; W184-L206 HydrophobicContact CE3-CD1 3.9Å; W184-L206 HydrophobicContact CE3-CD2 4.39Å; W184-L206 HydrophobicContact CG-CD1 3.44Å; W184-L206 VanDerWaalsContact CG-CD1 3.44Å; W184-L206 HydrophobicContact CZ2-CD1 4.36Å; W184-L229 HydrophobicContact CB-CD1 3.97Å; W184-L229 HydrophobicContact CB-CD2 3.72Å; W184-L229 HydrophobicContact CG-CD2 4.35Å |
| 185 | I | 97.9 | Very high | 96 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.3 | -70.6 | 166.8 | 0 | 0 | 0 | 110.3 | I181 Q182 M183 C188 T189 A225 K228 L229 L232 | I181-I185 HydrophobicContact CG2-CD1 3.84Å; I181-I185 HydrophobicContact CG2-CG1 4.35Å; I181-I185 WeakPolarHBondContact O-CG1 3.44Å; I181-I185 PolarHBondContact O-N 3.33Å; Q182-I185 PolarHBondContact O-N 3.49Å; M183-I185 PolarHBondContact O-N 2.71Å; I185-C188 PolarHBondContact O-N 2.89Å; I185-T189 WeakPolarHBondContact O-CB 3.24Å; I185-T189 PolarHBondContact O-N 2.96Å; I185-T189 PolarHBondContact O-OG1 3.31Å; I185-A225 HydrophobicContact CD1-CB 4.01Å; I185-A225 WeakPolarHBondContact CD1-O 3.38Å; I185-K228 HydrophobicContact CD1-CB 4.3Å; I185-K228 HydrophobicContact CD1-CD 4.23Å; I185-K228 HydrophobicContact CD1-CG 4.34Å; I185-K228 HydrophobicContact CG2-CD 4.24Å; I185-L229 HydrophobicContact CD1-CB 4.5Å; I185-L229 HydrophobicContact CG1-CB 3.91Å; I185-L229 HydrophobicContact CG1-CD1 4.32Å; I185-L232 HydrophobicContact CB-CD1 4.47Å; I185-L232 HydrophobicContact CG1-CD1 4.47Å; I185-L232 HydrophobicContact CG2-CD1 4.03Å |
| 186 | Q | 96.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 36.6 Ų | 36.6 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 179 | -74.5 | 177.6 | -9.8 | 0 | 0 | 111 | D143 Q182 M183 W184 C188 T189 V190 | D143-Q186 PolarHBondContact OD1-OE1 2.88Å; Q182-Q186 WeakPolarHBondContact O-CB 3.39Å; Q182-Q186 WeakPolarHBondContact O-CG 3.3Å; Q182-Q186 PolarHBondContact O-N 3.2Å; M183-Q186 PolarHBondContact O-N 3.24Å; W184-Q186 VanDerWaalsContact C-N 3.31Å; W184-Q186 PolarHBondContact O-N 3.26Å; Q186-C188 VanDerWaalsContact C-N 3.32Å; Q186-C188 PolarHBondContact O-N 3.16Å; Q186-T189 WeakPolarHBondContact O-CA 3.46Å; Q186-T189 WeakPolarHBondContact O-CB 3.35Å; Q186-T189 PolarHBondContact O-N 3.3Å; Q186-V190 WeakPolarHBondContact O-CG2 3.47Å; Q186-V190 PolarHBondContact O-N 2.81Å |
| 187 | T | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.7 | -47.2 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | G146 L149 M183 W184 T189 N191 F194 | G146-T187 WeakPolarHBondContact CA-OG1 3.46Å; G146-T187 PolarHBondContact O-OG1 3Å; L149-T187 HydrophobicContact CB-CG2 3.89Å; M183-T187 PolarHBondContact O-N 3.37Å; M183-T187 PolarHBondContact O-OG1 3.1Å; M183-T187 VanDerWaalsContact O-OG1 3.08Å; W184-T187 PolarHBondContact O-N 3.37Å; T187-T189 VanDerWaalsContact C-N 3.25Å; T187-T189 PolarHBondContact O-N 2.67Å; T187-N191 PolarHBondContact O-N 3.26Å; T187-N191 VanDerWaalsContact O-N 3.12Å; T187-F194 HydrophobicContact CG2-CD1 4.02Å; T187-F194 HydrophobicContact CG2-CD2 3.52Å; T187-F194 HydrophobicContact CG2-CE1 3.88Å; T187-F194 HydrophobicContact CG2-CE2 3.38Å; T187-F194 HydrophobicContact CG2-CG 3.86Å; T187-F194 HydrophobicContact CG2-CZ 3.58Å |
| 188 | C | 96.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -25.7 | 176.7 | -64.4 | 0 | 0 | 0 | 0 | 113.6 | W184 I185 Q186 L195 L232 | W184-C188 WeakPolarHBondContact O-CB 3.36Å; W184-C188 PolarHBondContact O-N 2.9Å; W184-C188 PolarHBondContact O-SG 3.4Å; I185-C188 PolarHBondContact O-N 2.89Å; Q186-C188 VanDerWaalsContact C-N 3.32Å; Q186-C188 PolarHBondContact O-N 3.16Å; C188-L195 HydrophobicContact CB-CD1 4.3Å; C188-L232 HydrophobicContact CB-CD1 4.24Å |
| 189 | T | 95.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -84.1 | -41.8 | -178.9 | -59 | 0 | 0 | 0 | 0 | 111.3 | I185 Q186 T187 | I185-T189 WeakPolarHBondContact O-CB 3.24Å; I185-T189 PolarHBondContact O-N 2.96Å; I185-T189 PolarHBondContact O-OG1 3.31Å; Q186-T189 WeakPolarHBondContact O-CA 3.46Å; Q186-T189 WeakPolarHBondContact O-CB 3.35Å; Q186-T189 PolarHBondContact O-N 3.3Å; T187-T189 VanDerWaalsContact C-N 3.25Å; T187-T189 PolarHBondContact O-N 2.67Å |
| 190 | V | 95.5 | Very high | 95.6 | Very high | 84 Ų | 84 | 46.1 Ų | 46.1 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.1 | -48.9 | 179.3 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | W147 Q186 | W147-V190 HydrophobicContact CE3-CG1 4.4Å; W147-V190 HydrophobicContact CZ3-CG1 3.93Å; Q186-V190 WeakPolarHBondContact O-CG2 3.47Å; Q186-V190 PolarHBondContact O-N 2.81Å |
| 191 | N | 95.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | trans | -107.9 | 105.2 | 175.6 | 177.2 | 0.9 | 0 | 0 | 0 | 110.1 | S150 T187 D193 F194 | S150-N191 WeakPolarHBondContact O-CB 3.24Å; S150-N191 PolarHBondContact O-ND2 3.47Å; T187-N191 PolarHBondContact O-N 3.26Å; T187-N191 VanDerWaalsContact O-N 3.12Å; N191-D193 PolarHBondContact O-N 3.01Å; N191-D193 WeakPolarHBondContact OD1-CA 3.46Å; N191-D193 PolarHBondContact OD1-N 3.44Å; N191-F194 HydrophobicContact CB-CB 3.99Å; N191-F194 WeakPolarHBondContact O-CB 3.25Å; N191-F194 PolarHBondContact O-N 3.49Å; N191-F194 VanDerWaalsContact O-N 3.09Å; N191-F194 PolarHBondContact OD1-N 3.5Å | ||
| 192 | R | 92.4 | Very high | 95.3 | Very high | 178 Ų | 178 | 52 Ų | 52 | 67% | 0.672 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.8 | -179.3 | -70.2 | -174 | 171.8 | -168.8 | -0.6 | 113.6 | ||
| 193 | D | 94 | Very high | 95.1 | Very high | 99 Ų | 99 | 49 Ų | 49 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 2 | 179.8 | -59.6 | -39.3 | 0 | 0 | 0 | 112.1 | N191 L195 S196 Q197 | N191-D193 PolarHBondContact O-N 3.01Å; N191-D193 WeakPolarHBondContact OD1-CA 3.46Å; N191-D193 PolarHBondContact OD1-N 3.44Å; D193-L195 VanDerWaalsContact C-N 3.35Å; D193-L195 PolarHBondContact O-N 3.08Å; D193-S196 PolarHBondContact O-N 3.01Å; D193-S196 PolarHBondContact O-OG 3.37Å; D193-Q197 VanDerWaalsContact O-CG 3.3Å; D193-Q197 WeakPolarHBondContact O-CG 3.32Å; D193-Q197 PolarHBondContact O-N 3.23Å; D193-Q197 VanDerWaalsContact O-N 3.15Å; D193-Q197 PolarHBondContact O-NE2 3.35Å |
| 194 | F | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.1 | -52.8 | -178.6 | 175.1 | -102.4 | 0 | 0 | 0 | 111.9 | L149 P153 T156 W184 T187 N191 S196 Q197 L198 L206 | L149-F194 HydrophobicContact CB-CE2 4.31Å; P153-F194 HydrophobicContact CB-CD2 3.83Å; P153-F194 HydrophobicContact CB-CE2 3.97Å; P153-F194 HydrophobicContact CG-CD2 3.86Å; P153-F194 HydrophobicContact CG-CE2 4.39Å; T156-F194 HydrophobicContact CG2-CZ 4.09Å; T156-F194 WeakPolarHBondContact OG1-CE2 3.36Å; T156-F194 VanDerWaalsContact OG1-CZ 3.3Å; T156-F194 WeakPolarHBondContact OG1-CZ 3.35Å; W184-F194 HydrophobicContact CE3-CE1 4.47Å; W184-F194 HydrophobicContact CE3-CZ 4.35Å; W184-F194 HydrophobicContact CZ3-CE1 4.49Å; W184-F194 AromaticContact CZ3-CZ 3.99Å; W184-F194 HydrophobicContact CZ3-CZ 3.99Å; T187-F194 HydrophobicContact CG2-CD1 4.02Å; T187-F194 HydrophobicContact CG2-CD2 3.52Å; T187-F194 HydrophobicContact CG2-CE1 3.88Å; T187-F194 HydrophobicContact CG2-CE2 3.38Å; T187-F194 HydrophobicContact CG2-CG 3.86Å; T187-F194 HydrophobicContact CG2-CZ 3.58Å; N191-F194 HydrophobicContact CB-CB 3.99Å; N191-F194 WeakPolarHBondContact O-CB 3.25Å; N191-F194 PolarHBondContact O-N 3.49Å; N191-F194 VanDerWaalsContact O-N 3.09Å; N191-F194 PolarHBondContact OD1-N 3.5Å; F194-S196 VanDerWaalsContact C-N 3.33Å; F194-S196 PolarHBondContact O-N 2.9Å; F194-Q197 PolarHBondContact O-N 3.45Å; F194-L198 HydrophobicContact CD1-CD1 4.47Å; F194-L198 HydrophobicContact CE1-CD1 3.89Å; F194-L198 HydrophobicContact CE1-CD2 4.16Å; F194-L198 HydrophobicContact CE1-CG 4.3Å; F194-L198 HydrophobicContact CE2-CD2 4.08Å; F194-L198 HydrophobicContact CZ-CD1 4.27Å; F194-L198 HydrophobicContact CZ-CD2 3.81Å; F194-L198 HydrophobicContact CZ-CG 4.45Å; F194-L198 WeakPolarHBondContact O-CG 3.34Å; F194-L198 PolarHBondContact O-N 3.39Å; F194-L206 HydrophobicContact CE1-CD2 4.46Å |
| 195 | L | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.5 | -29.1 | -175.9 | -69.9 | 168.6 | 0 | 0 | 0 | 113.3 | C188 D193 Q197 L198 L206 M233 R236 M237 R240 | C188-L195 HydrophobicContact CB-CD1 4.3Å; D193-L195 VanDerWaalsContact C-N 3.35Å; D193-L195 PolarHBondContact O-N 3.08Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; L195-L198 HydrophobicContact CD2-CD1 4.07Å; L195-L206 HydrophobicContact CD2-CD2 4Å; L195-M233 HydrophobicContact CD1-CG 4.17Å; L195-M233 HydrophobicContact CD2-CG 3.95Å; L195-R236 HydrophobicContact CB-CB 4.11Å; L195-R236 HydrophobicContact CD1-CB 3.66Å; L195-R236 HydrophobicContact CD1-CG 3.91Å; L195-M237 HydrophobicContact CB-CG 4.03Å; L195-R240 PolarHBondContact O-NH1 2.88Å |
| 196 | S | 93 | Very high | 94.5 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 49% | 0.49 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -75.2 | -26.3 | 176.3 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | D193 F194 R240 | D193-S196 PolarHBondContact O-N 3.01Å; D193-S196 PolarHBondContact O-OG 3.37Å; F194-S196 VanDerWaalsContact C-N 3.33Å; F194-S196 PolarHBondContact O-N 2.9Å; S196-R240 PolarHBondContact O-NH1 3.44Å |
| 197 | Q | 94.5 | Very high | 94.4 | Very high | 106 Ų | 106 | 49 Ų | 49 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -82.3 | -15.5 | 178.4 | -68 | 176.1 | 48.5 | 0 | 0 | 114.3 | P153 D193 F194 L195 | P153-Q197 HydrophobicContact CB-CB 4.04Å; P153-Q197 HydrophobicContact CG-CB 4.34Å; D193-Q197 VanDerWaalsContact O-CG 3.3Å; D193-Q197 WeakPolarHBondContact O-CG 3.32Å; D193-Q197 PolarHBondContact O-N 3.23Å; D193-Q197 VanDerWaalsContact O-N 3.15Å; D193-Q197 PolarHBondContact O-NE2 3.35Å; F194-Q197 PolarHBondContact O-N 3.45Å; L195-Q197 VanDerWaalsContact C-N 3.33Å |
| 198 | L | 95.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -66 | 151.6 | 177.6 | -61.4 | -170.8 | 0 | 0 | 0 | 111.4 | P153 T156 F194 L195 A203 L206 R240 | P153-L198 HydrophobicContact CB-CD2 4.36Å; T156-L198 HydrophobicContact CG2-CD1 4.25Å; T156-L198 HydrophobicContact CG2-CD2 3.72Å; T156-L198 WeakPolarHBondContact OG1-CD2 3.33Å; F194-L198 HydrophobicContact CD1-CD1 4.47Å; F194-L198 HydrophobicContact CE1-CD1 3.89Å; F194-L198 HydrophobicContact CE1-CD2 4.16Å; F194-L198 HydrophobicContact CE1-CG 4.3Å; F194-L198 HydrophobicContact CE2-CD2 4.08Å; F194-L198 HydrophobicContact CZ-CD1 4.27Å; F194-L198 HydrophobicContact CZ-CD2 3.81Å; F194-L198 HydrophobicContact CZ-CG 4.45Å; F194-L198 WeakPolarHBondContact O-CG 3.34Å; F194-L198 PolarHBondContact O-N 3.39Å; L195-L198 HydrophobicContact CD2-CD1 4.07Å; L198-A203 HydrophobicContact CB-CB 4.43Å; L198-L206 HydrophobicContact CD1-CD2 4.21Å; L198-R240 VanDerWaalsContact O-CZ 3.27Å; L198-R240 PolarHBondContact O-NH1 2.92Å; L198-R240 PolarHBondContact O-NH2 3.39Å |
| 199 | S | 93.4 | Very high | 93.9 | Very high | 61 Ų | 61 | 51.7 Ų | 51.7 | 43% | 0.427 | 27% | 0.272 | S | S | . | . | trans | -68.6 | 161.3 | 163.8 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | E201 S202 A203 R240 | S199-E201 VanDerWaalsContact C-N 3.26Å; S199-E201 PolarHBondContact O-N 2.86Å; S199-S202 PolarHBondContact O-N 2.85Å; S199-S202 WeakPolarHBondContact OG-CB 3.45Å; S199-S202 PolarHBondContact OG-N 3.18Å; S199-S202 VanDerWaalsContact OG-N 3.09Å; S199-S202 PolarHBondContact OG-OG 3.1Å; S199-A203 WeakPolarHBondContact O-CB 3.46Å; S199-A203 PolarHBondContact O-N 3.06Å; S199-R240 PolarHBondContact O-NH2 3.17Å | ||
| 200 | D | 92.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.9 | -40 | 177 | -77.2 | -8.4 | 0 | 0 | 0 | 111.5 | A203 L204 R240 L244 | D200-A203 PolarHBondContact O-N 3.18Å; D200-L204 WeakPolarHBondContact O-CB 3.49Å; D200-L204 WeakPolarHBondContact O-CG 3.5Å; D200-L204 PolarHBondContact O-N 3.41Å; D200-R240 VanDerWaalsContact N-NH2 3.13Å; D200-R240 IonicContact OD1-CZ 3.2Å; D200-R240 IonicContact OD1-NE 2.85Å; D200-R240 PolarHBondContact OD1-NE 3.42Å; D200-R240 IonicContact OD1-NH2 2.68Å; D200-R240 PolarHBondContact OD1-NH2 2.9Å; D200-L244 HydrophobicContact CB-CD2 3.51Å |
| 201 | E | 92.1 | Very high | 93.8 | Very high | 121 Ų | 121 | 46.1 Ų | 46.1 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.5 | -50.2 | 177.2 | -172.5 | 62.8 | -164.2 | 0 | 0 | 111.8 | S199 A203 L204 L205 | S199-E201 VanDerWaalsContact C-N 3.26Å; S199-E201 PolarHBondContact O-N 2.86Å; E201-A203 VanDerWaalsContact C-N 3.27Å; E201-A203 PolarHBondContact O-N 2.95Å; E201-L204 PolarHBondContact O-N 2.84Å; E201-L204 VanDerWaalsContact O-N 3.14Å; E201-L205 HydrophobicContact CG-CD1 4.21Å; E201-L205 WeakPolarHBondContact O-CG 3.33Å; E201-L205 PolarHBondContact O-N 2.68Å |
| 202 | S | 94.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -34.6 | 179.4 | -59 | 0 | 0 | 0 | 0 | 112.2 | A157 L160 S199 L206 | A157-S202 WeakPolarHBondContact CB-OG 3.49Å; L160-S202 VanDerWaalsContact CD1-O 3.24Å; L160-S202 WeakPolarHBondContact CD1-O 3.22Å; S199-S202 PolarHBondContact O-N 2.85Å; S199-S202 WeakPolarHBondContact OG-CB 3.45Å; S199-S202 PolarHBondContact OG-N 3.18Å; S199-S202 VanDerWaalsContact OG-N 3.09Å; S199-S202 PolarHBondContact OG-OG 3.1Å; S202-L206 WeakPolarHBondContact O-CB 3.5Å; S202-L206 PolarHBondContact O-N 2.98Å |
| 203 | A | 94.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L198 S199 D200 E201 L207 M233 M237 L244 | L198-A203 HydrophobicContact CB-CB 4.43Å; S199-A203 WeakPolarHBondContact O-CB 3.46Å; S199-A203 PolarHBondContact O-N 3.06Å; D200-A203 PolarHBondContact O-N 3.18Å; E201-A203 VanDerWaalsContact C-N 3.27Å; E201-A203 PolarHBondContact O-N 2.95Å; A203-L207 WeakPolarHBondContact O-CB 3.18Å; A203-L207 PolarHBondContact O-N 3.4Å; A203-M233 WeakPolarHBondContact O-CE 3.27Å; A203-M237 HydrophobicContact CB-CE 3.53Å; A203-M237 HydrophobicContact CB-SD 4.12Å; A203-L244 HydrophobicContact CB-CD1 4.15Å |
| 204 | L | 92.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -42.3 | 175.5 | -77.2 | 168.7 | 0 | 0 | 0 | 112.1 | D200 E201 L207 N208 L244 F248 | D200-L204 WeakPolarHBondContact O-CB 3.49Å; D200-L204 WeakPolarHBondContact O-CG 3.5Å; D200-L204 PolarHBondContact O-N 3.41Å; E201-L204 PolarHBondContact O-N 2.84Å; E201-L204 VanDerWaalsContact O-N 3.14Å; L204-L207 PolarHBondContact O-N 3.26Å; L204-N208 WeakPolarHBondContact O-CB 3.19Å; L204-N208 PolarHBondContact O-N 2.91Å; L204-L244 HydrophobicContact CD1-CD2 4.05Å; L204-L244 HydrophobicContact CD2-CB 3.9Å; L204-L244 HydrophobicContact CG-CB 4.32Å; L204-L244 HydrophobicContact CG-CD2 4.11Å; L204-F248 HydrophobicContact CD2-CB 4.11Å; L204-F248 HydrophobicContact CD2-CD2 3.82Å; L204-F248 HydrophobicContact CD2-CG 4.48Å |
| 205 | L | 93.3 | Very high | 93.3 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 29% | 0.288 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 175 | -72.2 | 173.1 | 0 | 0 | 0 | 111.2 | L160 E201 L207 N208 D209 | L160-L205 HydrophobicContact CB-CB 4.28Å; L160-L205 HydrophobicContact CB-CD1 4.15Å; L160-L205 HydrophobicContact CD1-CB 3.87Å; L160-L205 HydrophobicContact CG-CB 4.47Å; E201-L205 HydrophobicContact CG-CD1 4.21Å; E201-L205 WeakPolarHBondContact O-CG 3.33Å; E201-L205 PolarHBondContact O-N 2.68Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.3Å; L205-N208 WeakPolarHBondContact O-CB 3.27Å; L205-N208 PolarHBondContact O-N 3.19Å; L205-N208 VanDerWaalsContact O-N 3.11Å; L205-D209 PolarHBondContact O-N 2.69Å |
| 206 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 175.9 | -179.8 | 59.4 | 0 | 0 | 0 | 112.7 | L160 W184 F194 L195 L198 S202 D209 A210 L229 M233 | L160-L206 HydrophobicContact CD1-CB 4.29Å; W184-L206 HydrophobicContact CB-CD1 4.03Å; W184-L206 HydrophobicContact CD2-CD1 3.39Å; W184-L206 HydrophobicContact CE3-CD1 3.9Å; W184-L206 HydrophobicContact CE3-CD2 4.39Å; W184-L206 HydrophobicContact CG-CD1 3.44Å; W184-L206 VanDerWaalsContact CG-CD1 3.44Å; W184-L206 HydrophobicContact CZ2-CD1 4.36Å; F194-L206 HydrophobicContact CE1-CD2 4.46Å; L195-L206 HydrophobicContact CD2-CD2 4Å; L198-L206 HydrophobicContact CD1-CD2 4.21Å; S202-L206 WeakPolarHBondContact O-CB 3.5Å; S202-L206 PolarHBondContact O-N 2.98Å; L206-D209 PolarHBondContact O-N 3.35Å; L206-A210 PolarHBondContact O-N 3.01Å; L206-L229 HydrophobicContact CD1-CD2 4.13Å; L206-M233 HydrophobicContact CB-CE 4.16Å; L206-M233 HydrophobicContact CD2-CE 4.17Å; L206-M233 HydrophobicContact CD2-SD 4.23Å; L206-M233 HydrophobicContact CG-CE 4.09Å; L206-M233 HydrophobicContact CG-SD 4.02Å |
| 207 | L | 94.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.5 | 178.1 | 64.6 | 0 | 0 | 0 | 111 | A203 L204 L205 D209 A210 V211 M230 M233 L241 L245 F248 | A203-L207 WeakPolarHBondContact O-CB 3.18Å; A203-L207 PolarHBondContact O-N 3.4Å; L204-L207 PolarHBondContact O-N 3.26Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.3Å; L207-D209 VanDerWaalsContact C-N 3.29Å; L207-D209 PolarHBondContact O-N 3.18Å; L207-A210 PolarHBondContact O-N 3.39Å; L207-V211 HydrophobicContact CD1-CG2 4.25Å; L207-V211 HydrophobicContact CG-CG2 4.39Å; L207-V211 WeakPolarHBondContact O-CG2 3.22Å; L207-V211 PolarHBondContact O-N 3.22Å; L207-M230 HydrophobicContact CD1-CG 4.05Å; L207-M230 HydrophobicContact CD1-SD 4.45Å; L207-M233 HydrophobicContact CB-CE 3.84Å; L207-M233 HydrophobicContact CB-SD 4.3Å; L207-M233 HydrophobicContact CD1-SD 4.4Å; L207-L241 HydrophobicContact CD2-CD1 4.16Å; L207-L245 HydrophobicContact CD2-CD2 3.69Å; L207-F248 HydrophobicContact CB-CE2 4.33Å; L207-F248 HydrophobicContact CD2-CD2 3.86Å; L207-F248 HydrophobicContact CD2-CE2 3.92Å; L207-F248 HydrophobicContact CD2-CG 4.37Å; L207-F248 HydrophobicContact CD2-CZ 4.48Å; L207-F248 HydrophobicContact CG-CD2 4.42Å; L207-F248 HydrophobicContact CG-CE2 3.97Å; L207-F248 HydrophobicContact CG-CZ 4.38Å |
| 208 | N | 92.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 178.4 | -174.6 | 73.6 | 0 | 0 | 0 | 111.1 | L204 L205 V211 A212 F248 | L204-N208 WeakPolarHBondContact O-CB 3.19Å; L204-N208 PolarHBondContact O-N 2.91Å; L205-N208 WeakPolarHBondContact O-CB 3.27Å; L205-N208 PolarHBondContact O-N 3.19Å; L205-N208 VanDerWaalsContact O-N 3.11Å; N208-V211 PolarHBondContact O-N 3.23Å; N208-A212 VanDerWaalsContact O-CB 3.24Å; N208-A212 WeakPolarHBondContact O-CB 3.33Å; N208-A212 PolarHBondContact O-N 3.18Å; N208-F248 HydrophobicContact CB-CE2 3.91Å; N208-F248 HydrophobicContact CB-CZ 4.26Å |
| 209 | D | 91.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.3 | -71.6 | 0.7 | 0 | 0 | 0 | 112 | L160 Q169 L205 L206 L207 V211 A212 Q213 | L160-D209 WeakPolarHBondContact CD2-OD2 3.33Å; Q169-D209 PolarHBondContact NE2-OD2 3.15Å; L205-D209 PolarHBondContact O-N 2.69Å; L206-D209 PolarHBondContact O-N 3.35Å; L207-D209 VanDerWaalsContact C-N 3.29Å; L207-D209 PolarHBondContact O-N 3.18Å; D209-V211 VanDerWaalsContact C-N 3.35Å; D209-V211 PolarHBondContact O-N 3.32Å; D209-A212 PolarHBondContact O-N 3.09Å; D209-Q213 WeakPolarHBondContact O-CB 3.5Å; D209-Q213 WeakPolarHBondContact O-CG 3.3Å; D209-Q213 PolarHBondContact O-N 2.95Å |
| 210 | A | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L206 L207 L214 S226 L229 M230 | L206-A210 PolarHBondContact O-N 3.01Å; L207-A210 PolarHBondContact O-N 3.39Å; A210-L214 WeakPolarHBondContact O-CB 3.49Å; A210-L214 PolarHBondContact O-N 3.47Å; A210-L214 VanDerWaalsContact O-N 3.1Å; A210-S226 WeakPolarHBondContact O-CB 3.49Å; A210-L229 HydrophobicContact CB-CD2 3.97Å; A210-L229 HydrophobicContact CB-CG 4.32Å; A210-M230 HydrophobicContact CB-CG 3.81Å |
| 211 | V | 93.4 | Very high | 93 | Very high | 51 Ų | 51 | 47 Ų | 47 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | L207 N208 D209 L214 A215 M230 F248 | L207-V211 HydrophobicContact CD1-CG2 4.25Å; L207-V211 HydrophobicContact CG-CG2 4.39Å; L207-V211 WeakPolarHBondContact O-CG2 3.22Å; L207-V211 PolarHBondContact O-N 3.22Å; N208-V211 PolarHBondContact O-N 3.23Å; D209-V211 VanDerWaalsContact C-N 3.35Å; D209-V211 PolarHBondContact O-N 3.32Å; V211-L214 PolarHBondContact O-N 3.47Å; V211-A215 WeakPolarHBondContact O-CB 3.3Å; V211-A215 PolarHBondContact O-N 3.16Å; V211-M230 HydrophobicContact CG2-SD 3.8Å; V211-F248 HydrophobicContact CB-CZ 4.46Å; V211-F248 HydrophobicContact CG2-CZ 4.28Å |
| 212 | A | 90.7 | Very high | 93.2 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | N208 D209 L214 A215 L216 | N208-A212 VanDerWaalsContact O-CB 3.24Å; N208-A212 WeakPolarHBondContact O-CB 3.33Å; N208-A212 PolarHBondContact O-N 3.18Å; D209-A212 PolarHBondContact O-N 3.09Å; A212-L214 VanDerWaalsContact C-N 3.32Å; A212-L214 PolarHBondContact O-N 2.95Å; A212-A215 PolarHBondContact O-N 2.79Å; A212-A215 VanDerWaalsContact O-N 3.16Å; A212-L216 WeakPolarHBondContact O-CB 3.21Å; A212-L216 VanDerWaalsContact O-CG 3.25Å; A212-L216 WeakPolarHBondContact O-CG 3.43Å; A212-L216 PolarHBondContact O-N 3.34Å |
| 213 | Q | 91.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 177.3 | -71.3 | -64.8 | -25.5 | 0 | 0 | 112.3 | S177 I181 D209 S217 V222 | S177-Q213 VanDerWaalsContact CB-OE1 3.28Å; S177-Q213 PolarHBondContact OG-OE1 3.14Å; I181-Q213 HydrophobicContact CD1-CB 4.11Å; I181-Q213 HydrophobicContact CD1-CG 3.92Å; I181-Q213 HydrophobicContact CG1-CB 4.2Å; I181-Q213 HydrophobicContact CG1-CG 4.11Å; D209-Q213 WeakPolarHBondContact O-CB 3.5Å; D209-Q213 WeakPolarHBondContact O-CG 3.3Å; D209-Q213 PolarHBondContact O-N 2.95Å; Q213-S217 WeakPolarHBondContact O-CB 3.5Å; Q213-S217 PolarHBondContact O-N 3.46Å; Q213-V222 HydrophobicContact CB-CG1 4.29Å |
| 214 | L | 93.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 174.1 | -178.8 | 63 | 0 | 0 | 0 | 112.9 | A210 V211 A212 I227 M230 | A210-L214 WeakPolarHBondContact O-CB 3.49Å; A210-L214 PolarHBondContact O-N 3.47Å; A210-L214 VanDerWaalsContact O-N 3.1Å; V211-L214 PolarHBondContact O-N 3.47Å; A212-L214 VanDerWaalsContact C-N 3.32Å; A212-L214 PolarHBondContact O-N 2.95Å; L214-I227 HydrophobicContact CD1-CD1 4.28Å; L214-I227 HydrophobicContact CD1-CG1 4.15Å; L214-I227 HydrophobicContact CD2-CG1 4.06Å; L214-M230 HydrophobicContact CD2-CE 3.52Å |
| 215 | A | 91.8 | Very high | 93.7 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 67% | 0.669 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -77 | -34.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V211 A212 | V211-A215 WeakPolarHBondContact O-CB 3.3Å; V211-A215 PolarHBondContact O-N 3.16Å; A212-A215 PolarHBondContact O-N 2.79Å; A212-A215 VanDerWaalsContact O-N 3.16Å |
| 216 | L | 88.4 | Confident | 93.9 | Very high | 129 Ų | 129 | 40 Ų | 40 | 68% | 0.675 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -90.9 | -28.7 | -174.1 | -64.6 | 172.8 | 0 | 0 | 0 | 113.1 | A212 | A212-L216 WeakPolarHBondContact O-CB 3.21Å; A212-L216 VanDerWaalsContact O-CG 3.25Å; A212-L216 WeakPolarHBondContact O-CG 3.43Å; A212-L216 PolarHBondContact O-N 3.34Å |
| 217 | S | 89.2 | Confident | 94 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | trans | -93.4 | 128.5 | -176.7 | -171.8 | 0 | 0 | 0 | 0 | 112.7 | Q213 D219 V222 | Q213-S217 WeakPolarHBondContact O-CB 3.5Å; Q213-S217 PolarHBondContact O-N 3.46Å; S217-D219 VanDerWaalsContact C-N 3.3Å; S217-D219 WeakPolarHBondContact OG-CB 3.33Å; S217-D219 PolarHBondContact OG-N 2.98Å; S217-D219 VanDerWaalsContact OG-N 3.17Å; S217-V222 WeakPolarHBondContact OG-CB 3.12Å | ||
| 218 | S | 91.1 | Very high | 94.2 | Very high | 129 Ų | 129 | 48.7 Ų | 48.7 | 90% | 0.902 | 31% | 0.312 | S | S | * | . | trans | -84.6 | -3.6 | 168 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 219 | D | 96 | Very high | 94.4 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 31% | 0.305 | 30% | 0.302 | S | S | . | . | trans | -78.2 | 128.8 | -178.7 | -179.4 | -93.3 | 0 | 0 | 0 | 111.6 | V174 S217 A221 V222 G223 | V174-D219 HydrophobicContact CG1-CB 3.59Å; V174-D219 VanDerWaalsContact CG1-CG 3.4Å; V174-D219 HydrophobicContact CG2-CB 4.23Å; S217-D219 VanDerWaalsContact C-N 3.3Å; S217-D219 WeakPolarHBondContact OG-CB 3.33Å; S217-D219 PolarHBondContact OG-N 2.98Å; S217-D219 VanDerWaalsContact OG-N 3.17Å; D219-A221 VanDerWaalsContact C-N 3.31Å; D219-A221 PolarHBondContact O-N 2.9Å; D219-A221 WeakPolarHBondContact OD1-CA 3.42Å; D219-A221 VanDerWaalsContact OD1-CB 3.22Å; D219-A221 WeakPolarHBondContact OD1-CB 3.39Å; D219-A221 PolarHBondContact OD1-N 3.34Å; D219-V222 HydrophobicContact CB-CB 4.28Å; D219-V222 HydrophobicContact CB-CG2 4.13Å; D219-V222 PolarHBondContact O-N 3.33Å; D219-V222 PolarHBondContact OD1-N 3.12Å; D219-G223 PolarHBondContact O-N 3.03Å | ||
| 220 | A | 95.8 | Very high | 94.6 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 71% | 0.711 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.8 | -30.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G224 | A220-G224 PolarHBondContact O-N 3.29Å |
| 221 | A | 96.9 | Very high | 94.6 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.9 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L178 D219 A225 | L178-A221 HydrophobicContact CD1-CB 4.41Å; L178-A221 HydrophobicContact CD2-CB 4.3Å; D219-A221 VanDerWaalsContact C-N 3.31Å; D219-A221 PolarHBondContact O-N 2.9Å; D219-A221 WeakPolarHBondContact OD1-CA 3.42Å; D219-A221 VanDerWaalsContact OD1-CB 3.22Å; D219-A221 WeakPolarHBondContact OD1-CB 3.39Å; D219-A221 PolarHBondContact OD1-N 3.34Å; A221-A225 VanDerWaalsContact O-CB 3.27Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 3Å |
| 222 | V | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 173.6 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | V174 L178 Q213 S217 D219 G224 A225 S226 | V174-V222 HydrophobicContact CG1-CG2 3.78Å; L178-V222 HydrophobicContact CB-CG2 4.07Å; Q213-V222 HydrophobicContact CB-CG1 4.29Å; S217-V222 WeakPolarHBondContact OG-CB 3.12Å; D219-V222 HydrophobicContact CB-CB 4.28Å; D219-V222 HydrophobicContact CB-CG2 4.13Å; D219-V222 PolarHBondContact O-N 3.33Å; D219-V222 PolarHBondContact OD1-N 3.12Å; V222-G224 PolarHBondContact O-N 2.96Å; V222-A225 PolarHBondContact O-N 2.79Å; V222-S226 WeakPolarHBondContact O-CB 3.34Å; V222-S226 PolarHBondContact O-N 3.1Å; V222-S226 PolarHBondContact O-OG 2.69Å |
| 223 | G | 96.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 51 Ų | 51 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D219 A225 S226 I227 | D219-G223 PolarHBondContact O-N 3.03Å; G223-A225 PolarHBondContact O-N 3.25Å; G223-S226 PolarHBondContact O-N 3.43Å; G223-I227 WeakPolarHBondContact O-CG1 3.37Å; G223-I227 PolarHBondContact O-N 3.5Å |
| 224 | G | 97.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A220 V222 K228 | A220-G224 PolarHBondContact O-N 3.29Å; V222-G224 PolarHBondContact O-N 2.96Å; G224-K228 WeakPolarHBondContact O-CB 3.47Å; G224-K228 PolarHBondContact O-N 3.29Å |
| 225 | A | 97.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L178 I181 I185 A221 V222 G223 I227 K228 L229 | L178-A225 HydrophobicContact CD1-CB 3.88Å; I181-A225 HydrophobicContact CB-CB 4.36Å; I181-A225 HydrophobicContact CG2-CB 3.66Å; I185-A225 HydrophobicContact CD1-CB 4.01Å; I185-A225 WeakPolarHBondContact CD1-O 3.38Å; A221-A225 VanDerWaalsContact O-CB 3.27Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 3Å; V222-A225 PolarHBondContact O-N 2.79Å; G223-A225 PolarHBondContact O-N 3.25Å; A225-I227 PolarHBondContact O-N 2.9Å; A225-K228 WeakPolarHBondContact O-CB 3.41Å; A225-K228 PolarHBondContact O-N 3.47Å; A225-K228 VanDerWaalsContact O-N 3.12Å; A225-L229 PolarHBondContact O-N 2.93Å |
| 226 | S | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | A210 V222 G223 K228 L229 M230 | A210-S226 WeakPolarHBondContact O-CB 3.49Å; V222-S226 WeakPolarHBondContact O-CB 3.34Å; V222-S226 PolarHBondContact O-N 3.1Å; V222-S226 PolarHBondContact O-OG 2.69Å; G223-S226 PolarHBondContact O-N 3.43Å; S226-K228 VanDerWaalsContact C-N 3.33Å; S226-K228 PolarHBondContact O-N 2.84Å; S226-L229 PolarHBondContact O-N 3.45Å; S226-M230 WeakPolarHBondContact O-CG 3.27Å; S226-M230 PolarHBondContact O-N 2.89Å |
| 227 | I | 97.4 | Very high | 94.5 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 41% | 0.41 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 173.2 | -67.7 | 166.9 | 0 | 0 | 0 | 111.1 | L214 G223 A225 L229 M230 L231 | L214-I227 HydrophobicContact CD1-CD1 4.28Å; L214-I227 HydrophobicContact CD1-CG1 4.15Å; L214-I227 HydrophobicContact CD2-CG1 4.06Å; G223-I227 WeakPolarHBondContact O-CG1 3.37Å; G223-I227 PolarHBondContact O-N 3.5Å; A225-I227 PolarHBondContact O-N 2.9Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 2.89Å; I227-M230 HydrophobicContact CB-CE 4.39Å; I227-M230 HydrophobicContact CG1-CE 4.01Å; I227-M230 PolarHBondContact O-N 3.35Å; I227-L231 HydrophobicContact CG2-CD1 3.92Å; I227-L231 HydrophobicContact CG2-CG 4.29Å; I227-L231 VanDerWaalsContact O-CG 3.32Å; I227-L231 WeakPolarHBondContact O-CG 3.49Å; I227-L231 PolarHBondContact O-N 3.36Å |
| 228 | K | 97.8 | Very high | 94.3 | Very high | 114 Ų | 114 | 51.8 Ų | 51.8 | 50% | 0.496 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 177.9 | -179.4 | 175.9 | 175.1 | -174.9 | 0 | 112 | I185 G224 A225 S226 L231 L232 | I185-K228 HydrophobicContact CD1-CB 4.3Å; I185-K228 HydrophobicContact CD1-CD 4.23Å; I185-K228 HydrophobicContact CD1-CG 4.34Å; I185-K228 HydrophobicContact CG2-CD 4.24Å; G224-K228 WeakPolarHBondContact O-CB 3.47Å; G224-K228 PolarHBondContact O-N 3.29Å; A225-K228 WeakPolarHBondContact O-CB 3.41Å; A225-K228 PolarHBondContact O-N 3.47Å; A225-K228 VanDerWaalsContact O-N 3.12Å; S226-K228 VanDerWaalsContact C-N 3.33Å; S226-K228 PolarHBondContact O-N 2.84Å; K228-L231 PolarHBondContact O-N 3.36Å; K228-L232 WeakPolarHBondContact O-CG 3.33Å; K228-L232 PolarHBondContact O-N 3.04Å |
| 229 | L | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 176.5 | -179.8 | 56 | 0 | 0 | 0 | 111.3 | I181 W184 I185 L206 A210 A225 S226 I227 L231 L232 M233 | I181-L229 HydrophobicContact CD1-CD2 4.22Å; I181-L229 HydrophobicContact CG2-CB 4.35Å; I181-L229 HydrophobicContact CG2-CD2 4.29Å; W184-L229 HydrophobicContact CB-CD1 3.97Å; W184-L229 HydrophobicContact CB-CD2 3.72Å; W184-L229 HydrophobicContact CG-CD2 4.35Å; I185-L229 HydrophobicContact CD1-CB 4.5Å; I185-L229 HydrophobicContact CG1-CB 3.91Å; I185-L229 HydrophobicContact CG1-CD1 4.32Å; L206-L229 HydrophobicContact CD1-CD2 4.13Å; A210-L229 HydrophobicContact CB-CD2 3.97Å; A210-L229 HydrophobicContact CB-CG 4.32Å; A225-L229 PolarHBondContact O-N 2.93Å; S226-L229 PolarHBondContact O-N 3.45Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 2.89Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 3.38Å; L229-L232 WeakPolarHBondContact O-CB 3.19Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-L232 VanDerWaalsContact O-N 3.1Å; L229-M233 HydrophobicContact CG-SD 4.47Å; L229-M233 WeakPolarHBondContact O-CG 3.41Å; L229-M233 PolarHBondContact O-N 3.05Å |
| 230 | M | 95.7 | Very high | 93.4 | Very high | 44 Ų | 44 | 52.4 Ų | 52.4 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 176.8 | -67.1 | -173.1 | -65.5 | 0 | 0 | 112.5 | L207 A210 V211 L214 S226 I227 M233 A234 | L207-M230 HydrophobicContact CD1-CG 4.05Å; L207-M230 HydrophobicContact CD1-SD 4.45Å; A210-M230 HydrophobicContact CB-CG 3.81Å; V211-M230 HydrophobicContact CG2-SD 3.8Å; L214-M230 HydrophobicContact CD2-CE 3.52Å; S226-M230 WeakPolarHBondContact O-CG 3.27Å; S226-M230 PolarHBondContact O-N 2.89Å; I227-M230 HydrophobicContact CB-CE 4.39Å; I227-M230 HydrophobicContact CG1-CE 4.01Å; I227-M230 PolarHBondContact O-N 3.35Å; M230-M233 WeakPolarHBondContact O-CB 3.39Å; M230-M233 PolarHBondContact O-N 2.91Å; M230-A234 WeakPolarHBondContact O-CB 3.4Å; M230-A234 PolarHBondContact O-N 3.17Å |
| 231 | L | 95.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 175.6 | -71.4 | 174.1 | 0 | 0 | 0 | 112.3 | I227 K228 L229 M233 A234 N235 | I227-L231 HydrophobicContact CG2-CD1 3.92Å; I227-L231 HydrophobicContact CG2-CG 4.29Å; I227-L231 VanDerWaalsContact O-CG 3.32Å; I227-L231 WeakPolarHBondContact O-CG 3.49Å; I227-L231 PolarHBondContact O-N 3.36Å; K228-L231 PolarHBondContact O-N 3.36Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 3.38Å; L231-M233 VanDerWaalsContact C-N 3.33Å; L231-A234 PolarHBondContact O-N 3.33Å; L231-N235 VanDerWaalsContact O-CB 3.3Å; L231-N235 WeakPolarHBondContact O-CB 3.37Å; L231-N235 VanDerWaalsContact O-CG 3.25Å; L231-N235 PolarHBondContact O-N 3.1Å; L231-N235 PolarHBondContact O-ND2 3.45Å; L231-N235 VanDerWaalsContact O-ND2 3.17Å |
| 232 | L | 95.2 | Very high | 92 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 172.2 | -73.9 | 169.8 | 0 | 0 | 0 | 110.8 | I185 C188 K228 L229 N235 R236 | I185-L232 HydrophobicContact CB-CD1 4.47Å; I185-L232 HydrophobicContact CG1-CD1 4.47Å; I185-L232 HydrophobicContact CG2-CD1 4.03Å; C188-L232 HydrophobicContact CB-CD1 4.24Å; K228-L232 WeakPolarHBondContact O-CG 3.33Å; K228-L232 PolarHBondContact O-N 3.04Å; L229-L232 WeakPolarHBondContact O-CB 3.19Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-L232 VanDerWaalsContact O-N 3.1Å; L232-N235 PolarHBondContact O-N 3.18Å; L232-R236 WeakPolarHBondContact O-CB 3.48Å; L232-R236 VanDerWaalsContact O-CG 3.24Å; L232-R236 WeakPolarHBondContact O-CG 3.29Å; L232-R236 PolarHBondContact O-N 3.37Å |
| 233 | M | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 175.6 | -64.5 | 179.6 | 77.3 | 0 | 0 | 111.9 | L195 A203 L206 L207 L229 M230 L231 N235 R236 M237 | L195-M233 HydrophobicContact CD1-CG 4.17Å; L195-M233 HydrophobicContact CD2-CG 3.95Å; A203-M233 WeakPolarHBondContact O-CE 3.27Å; L206-M233 HydrophobicContact CB-CE 4.16Å; L206-M233 HydrophobicContact CD2-CE 4.17Å; L206-M233 HydrophobicContact CD2-SD 4.23Å; L206-M233 HydrophobicContact CG-CE 4.09Å; L206-M233 HydrophobicContact CG-SD 4.02Å; L207-M233 HydrophobicContact CB-CE 3.84Å; L207-M233 HydrophobicContact CB-SD 4.3Å; L207-M233 HydrophobicContact CD1-SD 4.4Å; L229-M233 HydrophobicContact CG-SD 4.47Å; L229-M233 WeakPolarHBondContact O-CG 3.41Å; L229-M233 PolarHBondContact O-N 3.05Å; M230-M233 WeakPolarHBondContact O-CB 3.39Å; M230-M233 PolarHBondContact O-N 2.91Å; L231-M233 VanDerWaalsContact C-N 3.33Å; M233-N235 PolarHBondContact O-N 3.41Å; M233-R236 PolarHBondContact O-N 3.18Å; M233-M237 HydrophobicContact CB-SD 4.47Å; M233-M237 HydrophobicContact CE-SD 4.28Å; M233-M237 VanDerWaalsContact O-CB 3.27Å; M233-M237 WeakPolarHBondContact O-CB 3.49Å; M233-M237 WeakPolarHBondContact O-CG 3.24Å; M233-M237 PolarHBondContact O-N 2.85Å |
| 234 | A | 91.5 | Very high | 90.7 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M230 L231 G238 L241 | M230-A234 WeakPolarHBondContact O-CB 3.4Å; M230-A234 PolarHBondContact O-N 3.17Å; L231-A234 PolarHBondContact O-N 3.33Å; A234-G238 PolarHBondContact O-N 2.91Å; A234-L241 VanDerWaalsContact CA-CD2 3.48Å; A234-L241 HydrophobicContact CB-CD2 3.89Å |
| 235 | N | 89.6 | Confident | 90 | Very high | 125 Ų | 125 | 59.8 Ų | 59.8 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.9 | -33.3 | -178.5 | -75.9 | -29.2 | 0 | 0 | 0 | 113.3 | L231 L232 M233 | L231-N235 VanDerWaalsContact O-CB 3.3Å; L231-N235 WeakPolarHBondContact O-CB 3.37Å; L231-N235 VanDerWaalsContact O-CG 3.25Å; L231-N235 PolarHBondContact O-N 3.1Å; L231-N235 PolarHBondContact O-ND2 3.45Å; L231-N235 VanDerWaalsContact O-ND2 3.17Å; L232-N235 PolarHBondContact O-N 3.18Å; M233-N235 PolarHBondContact O-N 3.41Å |
| 236 | R | 88.9 | Confident | 88.9 | Confident | 114 Ų | 114 | 67.8 Ų | 67.8 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -92.2 | -32.4 | -175.1 | -63.9 | -66.9 | -175.1 | -135.5 | -2.8 | 113.4 | L195 L232 M233 | L195-R236 HydrophobicContact CB-CB 4.11Å; L195-R236 HydrophobicContact CD1-CB 3.66Å; L195-R236 HydrophobicContact CD1-CG 3.91Å; L232-R236 WeakPolarHBondContact O-CB 3.48Å; L232-R236 VanDerWaalsContact O-CG 3.24Å; L232-R236 WeakPolarHBondContact O-CG 3.29Å; L232-R236 PolarHBondContact O-N 3.37Å; M233-R236 PolarHBondContact O-N 3.18Å |
| 237 | M | 87.1 | Confident | 87.7 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -92.3 | -20.8 | -178.1 | -61.8 | -178.8 | 72.9 | 0 | 0 | 113.1 | L195 A203 M233 L239 R240 L241 L244 | L195-M237 HydrophobicContact CB-CG 4.03Å; A203-M237 HydrophobicContact CB-CE 3.53Å; A203-M237 HydrophobicContact CB-SD 4.12Å; M233-M237 HydrophobicContact CB-SD 4.47Å; M233-M237 HydrophobicContact CE-SD 4.28Å; M233-M237 VanDerWaalsContact O-CB 3.27Å; M233-M237 WeakPolarHBondContact O-CB 3.49Å; M233-M237 WeakPolarHBondContact O-CG 3.24Å; M233-M237 PolarHBondContact O-N 2.85Å; M237-L239 PolarHBondContact O-N 3.41Å; M237-R240 HydrophobicContact CE-CG 4.19Å; M237-R240 WeakPolarHBondContact O-CB 3.39Å; M237-R240 PolarHBondContact O-N 3.26Å; M237-L241 HydrophobicContact CB-CB 3.93Å; M237-L241 HydrophobicContact SD-CD1 4.41Å; M237-L244 HydrophobicContact CE-CD1 3.45Å; M237-L244 VanDerWaalsContact CE-CD1 3.45Å |
| 238 | G | 83.9 | Confident | 86.6 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -121.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A234 R240 L241 | A234-G238 PolarHBondContact O-N 2.91Å; G238-R240 VanDerWaalsContact C-N 3.29Å; G238-R240 PolarHBondContact O-N 3.35Å; G238-L241 PolarHBondContact O-N 3.33Å |
| 239 | L | 81.3 | Confident | 85.3 | Confident | 135 Ų | 135 | 75 Ų | 75 | 71% | 0.707 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.5 | -27.7 | -179 | -64.8 | 178.6 | 0 | 0 | 0 | 113.5 | M237 L241 R242 S243 | M237-L239 PolarHBondContact O-N 3.41Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 PolarHBondContact O-N 3.28Å; L239-R242 WeakPolarHBondContact O-CB 3.32Å; L239-R242 PolarHBondContact O-N 2.96Å; L239-R242 VanDerWaalsContact O-N 3.1Å; L239-S243 PolarHBondContact O-N 3.1Å; L239-S243 VanDerWaalsContact O-N 3.17Å |
| 240 | R | 86.4 | Confident | 83.5 | Confident | 63 Ų | 63 | 76.7 Ų | 76.7 | 24% | 0.238 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.3 | -176.8 | -178.4 | 171.3 | -155.4 | -5.1 | 110.9 | L195 S196 L198 S199 D200 M237 G238 R242 S243 L244 | L195-R240 PolarHBondContact O-NH1 2.88Å; S196-R240 PolarHBondContact O-NH1 3.44Å; L198-R240 VanDerWaalsContact O-CZ 3.27Å; L198-R240 PolarHBondContact O-NH1 2.92Å; L198-R240 PolarHBondContact O-NH2 3.39Å; S199-R240 PolarHBondContact O-NH2 3.17Å; D200-R240 VanDerWaalsContact N-NH2 3.13Å; D200-R240 IonicContact OD1-CZ 3.2Å; D200-R240 IonicContact OD1-NE 2.85Å; D200-R240 PolarHBondContact OD1-NE 3.42Å; D200-R240 IonicContact OD1-NH2 2.68Å; D200-R240 PolarHBondContact OD1-NH2 2.9Å; M237-R240 HydrophobicContact CE-CG 4.19Å; M237-R240 WeakPolarHBondContact O-CB 3.39Å; M237-R240 PolarHBondContact O-N 3.26Å; G238-R240 VanDerWaalsContact C-N 3.29Å; G238-R240 PolarHBondContact O-N 3.35Å; R240-R242 VanDerWaalsContact C-N 3.26Å; R240-R242 PolarHBondContact O-N 3.4Å; R240-S243 PolarHBondContact O-N 2.98Å; R240-S243 PolarHBondContact O-OG 2.92Å; R240-S243 VanDerWaalsContact O-OG 3.04Å; R240-L244 HydrophobicContact CG-CD1 4.19Å; R240-L244 VanDerWaalsContact O-CG 3.3Å; R240-L244 WeakPolarHBondContact O-CG 3.45Å; R240-L244 PolarHBondContact O-N 3.02Å |
| 241 | L | 82.8 | Confident | 81.4 | Confident | 18 Ų | 18 | 79.8 Ų | 79.8 | 9% | 0.094 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 175.5 | -174.4 | 63.8 | 0 | 0 | 0 | 111.4 | L207 A234 M237 G238 L239 S243 L244 L245 | L207-L241 HydrophobicContact CD2-CD1 4.16Å; A234-L241 VanDerWaalsContact CA-CD2 3.48Å; A234-L241 HydrophobicContact CB-CD2 3.89Å; M237-L241 HydrophobicContact CB-CB 3.93Å; M237-L241 HydrophobicContact SD-CD1 4.41Å; G238-L241 PolarHBondContact O-N 3.33Å; L239-L241 VanDerWaalsContact C-N 3.31Å; L239-L241 PolarHBondContact O-N 3.28Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.3Å; L241-L244 WeakPolarHBondContact O-CB 3.39Å; L241-L244 PolarHBondContact O-N 3.12Å; L241-L245 HydrophobicContact CD1-CG 4.49Å; L241-L245 HydrophobicContact CG-CD1 4.25Å; L241-L245 HydrophobicContact CG-CG 4.3Å; L241-L245 VanDerWaalsContact O-CG 3.29Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 2.98Å |
| 242 | R | 81 | Confident | 78.6 | Confident | 172 Ų | 172 | 85.5 Ų | 85.5 | 65% | 0.649 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 177.2 | -63.9 | -174.3 | 179.5 | -164.4 | -1.8 | 112.2 | L239 R240 L244 F246 | L239-R242 WeakPolarHBondContact O-CB 3.32Å; L239-R242 PolarHBondContact O-N 2.96Å; L239-R242 VanDerWaalsContact O-N 3.1Å; R240-R242 VanDerWaalsContact C-N 3.26Å; R240-R242 PolarHBondContact O-N 3.4Å; R242-L244 VanDerWaalsContact C-N 3.33Å; R242-F246 WeakPolarHBondContact O-CD2 3.38Å |
| 243 | S | 82.4 | Confident | 75.8 | Confident | 61 Ų | 61 | 89.2 Ų | 89.2 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 176.4 | 80.1 | 0 | 0 | 0 | 0 | 111.7 | L239 R240 L241 F246 | L239-S243 PolarHBondContact O-N 3.1Å; L239-S243 VanDerWaalsContact O-N 3.17Å; R240-S243 PolarHBondContact O-N 2.98Å; R240-S243 PolarHBondContact O-OG 2.92Å; R240-S243 VanDerWaalsContact O-OG 3.04Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.3Å; S243-F246 PolarHBondContact O-N 3.42Å |
| 244 | L | 83.5 | Confident | 72.8 | Confident | 5 Ų | 5 | 101.6 Ų | 101.6 | 3% | 0.026 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 177.9 | -69.3 | 174.1 | 0 | 0 | 0 | 112.5 | D200 A203 L204 M237 R240 L241 R242 F246 N247 F248 | D200-L244 HydrophobicContact CB-CD2 3.51Å; A203-L244 HydrophobicContact CB-CD1 4.15Å; L204-L244 HydrophobicContact CD1-CD2 4.05Å; L204-L244 HydrophobicContact CD2-CB 3.9Å; L204-L244 HydrophobicContact CG-CB 4.32Å; L204-L244 HydrophobicContact CG-CD2 4.11Å; M237-L244 HydrophobicContact CE-CD1 3.45Å; M237-L244 VanDerWaalsContact CE-CD1 3.45Å; R240-L244 HydrophobicContact CG-CD1 4.19Å; R240-L244 VanDerWaalsContact O-CG 3.3Å; R240-L244 WeakPolarHBondContact O-CG 3.45Å; R240-L244 PolarHBondContact O-N 3.02Å; L241-L244 WeakPolarHBondContact O-CB 3.39Å; L241-L244 PolarHBondContact O-N 3.12Å; R242-L244 VanDerWaalsContact C-N 3.33Å; L244-F246 PolarHBondContact O-N 3.45Å; L244-N247 CarbonylContact O-C 3.56Å; L244-N247 WeakPolarHBondContact O-CA 3.3Å; L244-N247 PolarHBondContact O-N 3.4Å; L244-F248 PolarHBondContact O-N 3.21Å; L244-F248 VanDerWaalsContact O-N 3.1Å |
| 245 | L | 82.9 | Confident | 71.9 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -26.8 | 178.5 | -72.7 | 172.8 | 0 | 0 | 0 | 113.2 | L207 L241 N247 F248 | L207-L245 HydrophobicContact CD2-CD2 3.69Å; L241-L245 HydrophobicContact CD1-CG 4.49Å; L241-L245 HydrophobicContact CG-CD1 4.25Å; L241-L245 HydrophobicContact CG-CG 4.3Å; L241-L245 VanDerWaalsContact O-CG 3.29Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 2.98Å; L245-N247 PolarHBondContact O-N 3.04Å; L245-F248 HydrophobicContact CD2-CB 4.32Å; L245-F248 PolarHBondContact O-N 3.17Å |
| 246 | F | 74.5 | Confident | 70.9 | Confident | 182 Ų | 182 | 103.4 Ų | 103.4 | 80% | 0.798 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.6 | 172.7 | -76.6 | -75.2 | 0 | 0 | 0 | 113.1 | R242 S243 L244 | R242-F246 WeakPolarHBondContact O-CD2 3.38Å; S243-F246 PolarHBondContact O-N 3.42Å; L244-F246 PolarHBondContact O-N 3.45Å |
| 247 | N | 71.6 | Confident | 69.9 | Low | 118 Ų | 118 | 102.8 Ų | 102.8 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -3.2 | 178.8 | -64.2 | -37.1 | 0 | 0 | 0 | 112.6 | L244 L245 K249 | L244-N247 CarbonylContact O-C 3.56Å; L244-N247 WeakPolarHBondContact O-CA 3.3Å; L244-N247 PolarHBondContact O-N 3.4Å; L245-N247 PolarHBondContact O-N 3.04Å; N247-K249 PolarHBondContact O-N 3.01Å |
| 248 | F | 75.6 | Confident | 68.9 | Low | 53 Ų | 53 | 107.9 Ų | 107.9 | 23% | 0.232 | 53% | 0.533 | C | S | . | . | trans | -72.1 | 111.4 | -179.1 | -174.7 | -99.4 | 0 | 0 | 0 | 109.6 | L204 L207 N208 V211 L244 L245 G250 | L204-F248 HydrophobicContact CD2-CB 4.11Å; L204-F248 HydrophobicContact CD2-CD2 3.82Å; L204-F248 HydrophobicContact CD2-CG 4.48Å; L207-F248 HydrophobicContact CB-CE2 4.33Å; L207-F248 HydrophobicContact CD2-CD2 3.86Å; L207-F248 HydrophobicContact CD2-CE2 3.92Å; L207-F248 HydrophobicContact CD2-CG 4.37Å; L207-F248 HydrophobicContact CD2-CZ 4.48Å; L207-F248 HydrophobicContact CG-CD2 4.42Å; L207-F248 HydrophobicContact CG-CE2 3.97Å; L207-F248 HydrophobicContact CG-CZ 4.38Å; N208-F248 HydrophobicContact CB-CE2 3.91Å; N208-F248 HydrophobicContact CB-CZ 4.26Å; V211-F248 HydrophobicContact CB-CZ 4.46Å; V211-F248 HydrophobicContact CG2-CZ 4.28Å; L244-F248 PolarHBondContact O-N 3.21Å; L244-F248 VanDerWaalsContact O-N 3.1Å; L245-F248 HydrophobicContact CD2-CB 4.32Å; L245-F248 PolarHBondContact O-N 3.17Å; F248-G250 VanDerWaalsContact CE1-CA 3.46Å | ||
| 249 | K | 69.3 | Low | 68 | Low | 173 Ų | 173 | 112.4 Ų | 112.4 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | trans | -90.1 | -8.4 | -176.2 | -71.3 | -177.3 | -178 | 173.1 | 0 | 114.5 | N247 | N247-K249 PolarHBondContact O-N 3.01Š| ||
| 250 | G | 60.9 | Low | 67.1 | Low | 36 Ų | 36 | 110.9 Ų | 110.9 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | trans | 43.9 | 96.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | F248 | F248-G250 VanDerWaalsContact CE1-CA 3.46Š| ||
| 251 | Q | 51.7 | Low | 65.7 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | trans | 32.8 | 99.3 | -176.2 | -75.1 | -167.5 | -14.7 | 0 | 0 | 116 | S253 | Q251-S253 PolarHBondContact O-N 3.17Š| ||
| 252 | R | 36.5 | Very low | 64.4 | Low | 218 Ų | 218 | 121.7 Ų | 121.7 | 82% | 0.823 | 59% | 0.588 | S | S | * | * | trans | -76.7 | 102.9 | 141.8 | -90 | -176.3 | 174.3 | 172.2 | -5.1 | 106.3 | E254 | R252-E254 PolarHBondContact O-N 2.94Š| ||
| 253 | S | 34.9 | Very low | 63 | Low | 107 Ų | 107 | 117.5 Ų | 117.5 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | trans | -57.5 | 121.4 | 148.3 | 33.2 | 0 | 0 | 0 | 0 | 107.8 | Q251 | Q251-S253 PolarHBondContact O-N 3.17Š| ||
| 254 | E | 32.3 | Very low | 61.2 | Low | 260 Ų | 260 | 122.6 Ų | 122.6 | 100% | 1.215 | 60% | 0.597 | S | S | * | * | trans | -84.9 | 0 | 150.1 | -72 | -169.2 | 165.2 | 0 | 0 | 108.6 | R252 | R252-E254 PolarHBondContact O-N 2.94Š|
Retrieved 254 of 254 residues in 668.2 ms
(Link to these results)