| 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 | 76.4 | Confident | 88.8 | Confident | 101 Ų | 101 | 60.7 Ų | 60.7 | 50% | 0.498 | 32% | 0.318 | S | S | . | . | 0 | 142.7 | 0 | -178.4 | -178.7 | -73 | 0 | 0 | 108.8 | V6 V29 I32 F35 V38 | M1-V6 HydrophobicContact CG-CG2 4.38Å; M1-V6 HydrophobicContact SD-CG2 4.07Å; M1-V29 HydrophobicContact CE-CB 4.45Å; M1-I32 HydrophobicContact CE-CB 3.56Å; M1-I32 HydrophobicContact CE-CD1 4.14Å; M1-I32 HydrophobicContact CE-CG1 4.41Å; M1-I32 HydrophobicContact CE-CG2 3.54Å; M1-F35 HydrophobicContact CE-CB 3.89Å; M1-F35 HydrophobicContact CE-CD2 4.07Å; M1-F35 HydrophobicContact CE-CG 4.47Å; M1-F35 HydrophobicContact SD-CB 4.19Å; M1-F35 HydrophobicContact SD-CD2 3.71Å; M1-F35 HydrophobicContact SD-CG 4.45Å; M1-V38 HydrophobicContact CB-CG2 4.25Å; M1-V38 HydrophobicContact SD-CB 4.47Å; M1-V38 HydrophobicContact SD-CG2 4.5Å | |||
| 2 | D | 83.9 | Confident | 89 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | trans | -85.1 | 111.7 | -178.2 | -179.1 | -0.1 | 0 | 0 | 0 | 111.1 | G4 R5 V6 | D2-G4 VanDerWaalsContact C-N 3.28Å; D2-G4 PolarHBondContact O-N 3.25Å; D2-G4 PolarHBondContact OD1-N 3.01Å; D2-R5 HydrophobicContact CB-CB 4.28Å; D2-R5 PolarHBondContact O-N 3.34Å; D2-V6 PolarHBondContact O-N 3.16Å | ||
| 3 | A | 87.4 | Confident | 89 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -30.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V6 A7 V38 I42 | A3-V6 PolarHBondContact O-N 2.93Å; A3-A7 WeakPolarHBondContact O-CB 3.47Å; A3-A7 PolarHBondContact O-N 2.87Å; A3-V38 HydrophobicContact CB-CG1 3.95Å; A3-I42 HydrophobicContact CB-CG1 4.4Å |
| 4 | G | 87.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D2 A7 M8 | D2-G4 VanDerWaalsContact C-N 3.28Å; D2-G4 PolarHBondContact O-N 3.25Å; D2-G4 PolarHBondContact OD1-N 3.01Å; G4-A7 PolarHBondContact O-N 3Å; G4-M8 WeakPolarHBondContact O-CG 3.5Å; G4-M8 PolarHBondContact O-N 2.95Å |
| 5 | R | 90.1 | Very high | 88.8 | Confident | 143 Ų | 143 | 56.1 Ų | 56.1 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 177.2 | -167.2 | 173.9 | 176.7 | 174.6 | -0 | 112.8 | D2 M8 A9 Y25 | D2-R5 HydrophobicContact CB-CB 4.28Å; D2-R5 PolarHBondContact O-N 3.34Å; R5-M8 HydrophobicContact CB-CE 4.44Å; R5-M8 PolarHBondContact O-N 2.96Å; R5-A9 PolarHBondContact O-N 3.1Å; R5-Y25 WeakPolarHBondContact CD-OH 3.48Å; R5-Y25 HydrophobicContact CG-CE1 4.32Å; R5-Y25 WeakPolarHBondContact CG-OH 3.48Å |
| 6 | V | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | M1 D2 A3 M8 A9 L10 L26 F35 V38 L39 I42 | M1-V6 HydrophobicContact CG-CG2 4.38Å; M1-V6 HydrophobicContact SD-CG2 4.07Å; D2-V6 PolarHBondContact O-N 3.16Å; A3-V6 PolarHBondContact O-N 2.93Å; V6-M8 PolarHBondContact O-N 2.81Å; V6-A9 PolarHBondContact O-N 2.96Å; V6-L10 HydrophobicContact CG1-CD1 4.13Å; V6-L10 HydrophobicContact CG1-CG 4.46Å; V6-L10 WeakPolarHBondContact O-CG 3.47Å; V6-L10 PolarHBondContact O-N 2.91Å; V6-L26 HydrophobicContact CG1-CD2 4.29Å; V6-F35 HydrophobicContact CG1-CE2 4.09Å; V6-F35 HydrophobicContact CG2-CE2 4.41Å; V6-V38 HydrophobicContact CB-CG1 4.41Å; V6-V38 HydrophobicContact CG2-CG1 4.27Å; V6-L39 HydrophobicContact CG1-CD2 3.81Å; V6-I42 HydrophobicContact CB-CD1 3.79Å; V6-I42 HydrophobicContact CG1-CD1 3.63Å |
| 7 | A | 91.7 | Very high | 88.4 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A3 G4 L10 K11 I42 V52 | A3-A7 WeakPolarHBondContact O-CB 3.47Å; A3-A7 PolarHBondContact O-N 2.87Å; G4-A7 PolarHBondContact O-N 3Å; A7-L10 PolarHBondContact O-N 2.99Å; A7-K11 PolarHBondContact O-N 2.78Å; A7-I42 HydrophobicContact CB-CD1 4.27Å; A7-I42 HydrophobicContact CB-CG2 4.4Å; A7-V52 HydrophobicContact CB-CG1 4.37Å |
| 8 | M | 91.6 | Very high | 88.4 | Confident | 128 Ų | 128 | 71.7 Ų | 71.7 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 173.5 | -74.3 | -173.7 | -68.2 | 0 | 0 | 112 | G4 R5 V6 K11 A12 | G4-M8 WeakPolarHBondContact O-CG 3.5Å; G4-M8 PolarHBondContact O-N 2.95Å; R5-M8 HydrophobicContact CB-CE 4.44Å; R5-M8 PolarHBondContact O-N 2.96Å; V6-M8 PolarHBondContact O-N 2.81Å; M8-K11 WeakPolarHBondContact O-CB 3.29Å; M8-K11 PolarHBondContact O-N 3.3Å; M8-A12 WeakPolarHBondContact O-CB 3.37Å; M8-A12 PolarHBondContact O-N 2.97Å |
| 9 | A | 91.5 | Very high | 88.4 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R5 V6 K11 A12 T13 A22 Y25 L26 | R5-A9 PolarHBondContact O-N 3.1Å; V6-A9 PolarHBondContact O-N 2.96Å; A9-K11 PolarHBondContact O-N 3.38Å; A9-A12 WeakPolarHBondContact O-CB 3.48Å; A9-A12 PolarHBondContact O-N 3.01Å; A9-A12 VanDerWaalsContact O-N 3.1Å; A9-T13 PolarHBondContact O-N 2.84Å; A9-A22 WeakPolarHBondContact O-CB 3.33Å; A9-Y25 HydrophobicContact CB-CD1 3.47Å; A9-Y25 VanDerWaalsContact CB-CD1 3.47Å; A9-Y25 HydrophobicContact CB-CE1 3.83Å; A9-L26 HydrophobicContact CB-CD2 4.06Å; A9-L26 HydrophobicContact CB-CG 4.15Å |
| 10 | L | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -29 | 174.1 | -71.2 | 169 | 0 | 0 | 0 | 112.9 | V6 A7 T13 L26 L39 I42 V52 A55 A56 Y59 | V6-L10 HydrophobicContact CG1-CD1 4.13Å; V6-L10 HydrophobicContact CG1-CG 4.46Å; V6-L10 WeakPolarHBondContact O-CG 3.47Å; V6-L10 PolarHBondContact O-N 2.91Å; A7-L10 PolarHBondContact O-N 2.99Å; L10-T13 PolarHBondContact O-OG1 2.89Å; L10-L26 HydrophobicContact CD2-CD1 3.95Å; L10-L26 HydrophobicContact CD2-CD2 4.35Å; L10-L26 HydrophobicContact CG-CD2 4.41Å; L10-L39 HydrophobicContact CD1-CD2 3.9Å; L10-I42 HydrophobicContact CD1-CD1 4.36Å; L10-I42 HydrophobicContact CD1-CG2 4.39Å; L10-V52 HydrophobicContact CB-CG1 3.95Å; L10-A55 HydrophobicContact CB-CB 4.49Å; L10-A55 HydrophobicContact CD2-CB 4.39Å; L10-A56 HydrophobicContact CD1-CB 3.75Å; L10-Y59 HydrophobicContact CD2-CD2 3.75Å; L10-Y59 HydrophobicContact CD2-CE2 4.19Å; L10-Y59 HydrophobicContact CD2-CG 4.19Å |
| 11 | K | 91.9 | Very high | 88.3 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 42% | 0.422 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 171.8 | -171.6 | 167.7 | 177.3 | 160.6 | 0 | 111.4 | A7 M8 A9 T13 M14 E49 V52 | A7-K11 PolarHBondContact O-N 2.78Å; M8-K11 WeakPolarHBondContact O-CB 3.29Å; M8-K11 PolarHBondContact O-N 3.3Å; A9-K11 PolarHBondContact O-N 3.38Å; K11-T13 VanDerWaalsContact C-N 3.3Å; K11-T13 PolarHBondContact O-N 3.02Å; K11-M14 HydrophobicContact CB-CE 4.36Å; K11-M14 HydrophobicContact CG-CE 4.14Å; K11-M14 WeakPolarHBondContact O-CB 3.46Å; K11-M14 PolarHBondContact O-N 3.27Å; K11-E49 WeakPolarHBondContact CE-OE2 3.25Å; K11-E49 IonicContact NZ-OE1 3.93Å; K11-E49 PolarHBondContact NZ-OE1 3.38Å; K11-E49 IonicContact NZ-OE2 2.73Å; K11-E49 PolarHBondContact NZ-OE2 2.94Å; K11-V52 HydrophobicContact CB-CG2 3.77Å; K11-V52 HydrophobicContact CD-CG2 4.26Å; K11-V52 HydrophobicContact CG-CG2 4.02Å |
| 12 | A | 91.4 | Very high | 88.9 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 10% | 0.099 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -25.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M8 A9 M14 D15 E18 R19 A22 | M8-A12 WeakPolarHBondContact O-CB 3.37Å; M8-A12 PolarHBondContact O-N 2.97Å; A9-A12 WeakPolarHBondContact O-CB 3.48Å; A9-A12 PolarHBondContact O-N 3.01Å; A9-A12 VanDerWaalsContact O-N 3.1Å; A12-M14 PolarHBondContact O-N 3.47Å; A12-D15 PolarHBondContact O-N 3.33Å; A12-D15 VanDerWaalsContact O-N 3.11Å; A12-E18 HydrophobicContact CB-CB 3.87Å; A12-E18 VanDerWaalsContact CB-OE2 3.29Å; A12-E18 WeakPolarHBondContact CB-OE2 3.45Å; A12-R19 PolarHBondContact O-N 3.41Å; A12-A22 HydrophobicContact CB-CB 3.71Å |
| 13 | T | 89.5 | Confident | 89.2 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.1 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | A9 L10 K11 R19 A22 E23 L26 | A9-T13 PolarHBondContact O-N 2.84Å; L10-T13 PolarHBondContact O-OG1 2.89Å; K11-T13 VanDerWaalsContact C-N 3.3Å; K11-T13 PolarHBondContact O-N 3.02Å; T13-R19 PolarHBondContact O-NE 3.44Å; T13-A22 HydrophobicContact CG2-CB 3.71Å; T13-E23 HydrophobicContact CG2-CG 4.19Å; T13-L26 HydrophobicContact CG2-CD1 3.63Å |
| 14 | M | 87.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 38% | 0.384 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -19 | 176.3 | -62.1 | -178.4 | -78.7 | 0 | 0 | 112.9 | K11 A12 P51 V52 | K11-M14 HydrophobicContact CB-CE 4.36Å; K11-M14 HydrophobicContact CG-CE 4.14Å; K11-M14 WeakPolarHBondContact O-CB 3.46Å; K11-M14 PolarHBondContact O-N 3.27Å; A12-M14 PolarHBondContact O-N 3.47Å; M14-P51 HydrophobicContact CE-CB 3.99Å; M14-P51 HydrophobicContact SD-CB 3.67Å; M14-V52 HydrophobicContact CE-CG2 3.76Å |
| 15 | D | 86.9 | Confident | 89.5 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 35% | 0.348 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -91.1 | 119.4 | 175.6 | -170.6 | -31.3 | 0 | 0 | 0 | 110.3 | A12 R17 E18 R19 | A12-D15 PolarHBondContact O-N 3.33Å; A12-D15 VanDerWaalsContact O-N 3.11Å; D15-R17 PolarHBondContact O-N 2.81Å; D15-R17 WeakPolarHBondContact OD1-CB 3.45Å; D15-R17 PolarHBondContact OD1-N 3.23Å; D15-E18 HydrophobicContact CB-CB 4.42Å; D15-E18 PolarHBondContact O-N 3.17Å; D15-E18 VanDerWaalsContact O-N 3.07Å; D15-R19 WeakPolarHBondContact O-CB 3.43Å; D15-R19 PolarHBondContact O-N 2.96Å |
| 16 | P | 84.5 | Confident | 89.5 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 68% | 0.682 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -27.7 | 177.2 | -26.3 | 34.4 | 0 | 0 | 0 | 114.9 | ||
| 17 | R | 87.3 | Confident | 89.3 | Confident | 235 Ų | 235 | 70.4 Ų | 70.4 | 89% | 0.887 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -28.6 | -178.8 | -62.1 | 178.7 | -179.5 | 177.7 | 1.9 | 113.2 | D15 | D15-R17 PolarHBondContact O-N 2.81Å; D15-R17 WeakPolarHBondContact OD1-CB 3.45Å; D15-R17 PolarHBondContact OD1-N 3.23Å |
| 18 | E | 88.2 | Confident | 89.1 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -12.9 | -176.2 | -58.4 | -171.5 | 172.8 | 0 | 0 | 112.9 | A12 D15 A20 A21 A22 | A12-E18 HydrophobicContact CB-CB 3.87Å; A12-E18 VanDerWaalsContact CB-OE2 3.29Å; A12-E18 WeakPolarHBondContact CB-OE2 3.45Å; D15-E18 HydrophobicContact CB-CB 4.42Å; D15-E18 PolarHBondContact O-N 3.17Å; D15-E18 VanDerWaalsContact O-N 3.07Å; E18-A20 PolarHBondContact O-N 2.98Å; E18-A21 PolarHBondContact O-N 3.37Å; E18-A21 VanDerWaalsContact O-N 3.16Å; E18-A22 WeakPolarHBondContact O-CB 3.42Å; E18-A22 PolarHBondContact O-N 3.01Å |
| 19 | R | 88.3 | Confident | 89 | Confident | 108 Ų | 108 | 67.8 Ų | 67.8 | 41% | 0.408 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -49.6 | -51.9 | -173.7 | -177.1 | 175.8 | -64.9 | 160.7 | 1.1 | 113.9 | A12 T13 D15 A21 A22 E23 | A12-R19 PolarHBondContact O-N 3.41Å; T13-R19 PolarHBondContact O-NE 3.44Å; D15-R19 WeakPolarHBondContact O-CB 3.43Å; D15-R19 PolarHBondContact O-N 2.96Å; R19-A21 PolarHBondContact O-N 3.09Å; R19-A22 PolarHBondContact O-N 3.38Å; R19-E23 WeakPolarHBondContact CD-OE1 3.29Å; R19-E23 HydrophobicContact CG-CG 4.22Å; R19-E23 WeakPolarHBondContact CG-OE1 3.46Å; R19-E23 WeakPolarHBondContact O-CB 3.48Å; R19-E23 WeakPolarHBondContact O-CG 3.48Å; R19-E23 PolarHBondContact O-N 3.39Å |
| 20 | A | 86.3 | Confident | 88.8 | Confident | 75 Ų | 75 | 71.1 Ų | 71.1 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E18 E23 E24 | E18-A20 PolarHBondContact O-N 2.98Å; A20-E23 PolarHBondContact O-N 2.81Å; A20-E24 WeakPolarHBondContact O-CB 3.44Å; A20-E24 PolarHBondContact O-N 3.09Å |
| 21 | A | 88.5 | Confident | 88.6 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 55% | 0.554 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.4 | -36.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | E18 R19 Y25 | E18-A21 PolarHBondContact O-N 3.37Å; E18-A21 VanDerWaalsContact O-N 3.16Å; R19-A21 PolarHBondContact O-N 3.09Å; A21-Y25 WeakPolarHBondContact O-CB 3.44Å; A21-Y25 PolarHBondContact O-N 3.16Å |
| 22 | A | 89.1 | Confident | 88.5 | Confident | 7 Ų | 7 | 76.8 Ų | 76.8 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A9 A12 T13 E18 R19 Y25 L26 | A9-A22 WeakPolarHBondContact O-CB 3.33Å; A12-A22 HydrophobicContact CB-CB 3.71Å; T13-A22 HydrophobicContact CG2-CB 3.71Å; E18-A22 WeakPolarHBondContact O-CB 3.42Å; E18-A22 PolarHBondContact O-N 3.01Å; R19-A22 PolarHBondContact O-N 3.38Å; A22-Y25 PolarHBondContact O-N 2.86Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.29Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.46Å |
| 23 | E | 89.3 | Confident | 88.4 | Confident | 86 Ų | 86 | 80.5 Ų | 80.5 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.2 | -74.7 | 174.3 | -177.6 | 0 | 0 | 111.9 | T13 R19 A20 L26 T27 | T13-E23 HydrophobicContact CG2-CG 4.19Å; R19-E23 WeakPolarHBondContact CD-OE1 3.29Å; R19-E23 HydrophobicContact CG-CG 4.22Å; R19-E23 WeakPolarHBondContact CG-OE1 3.46Å; R19-E23 WeakPolarHBondContact O-CB 3.48Å; R19-E23 WeakPolarHBondContact O-CG 3.48Å; R19-E23 PolarHBondContact O-N 3.39Å; A20-E23 PolarHBondContact O-N 2.81Å; E23-L26 PolarHBondContact O-N 3.39Å; E23-T27 VanDerWaalsContact O-CB 3.25Å; E23-T27 WeakPolarHBondContact O-CB 3.24Å; E23-T27 PolarHBondContact O-N 3.2Å; E23-T27 PolarHBondContact O-OG1 2.98Å |
| 24 | E | 89.5 | Confident | 88.5 | Confident | 148 Ų | 148 | 80.5 Ų | 80.5 | 69% | 0.692 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | 173.7 | -172.5 | -178.3 | -179.5 | 0 | 0 | 110.8 | A20 T27 S28 | A20-E24 WeakPolarHBondContact O-CB 3.44Å; A20-E24 PolarHBondContact O-N 3.09Å; E24-T27 PolarHBondContact O-N 3.08Å; E24-S28 WeakPolarHBondContact O-CB 3.28Å; E24-S28 PolarHBondContact O-N 3.42Å |
| 25 | Y | 91.7 | Very high | 88.8 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 175.5 | 173.4 | -103.6 | 0 | 0 | 0 | 111.9 | R5 A9 A21 A22 T27 S28 V29 | R5-Y25 WeakPolarHBondContact CD-OH 3.48Å; R5-Y25 HydrophobicContact CG-CE1 4.32Å; R5-Y25 WeakPolarHBondContact CG-OH 3.48Å; A9-Y25 HydrophobicContact CB-CD1 3.47Å; A9-Y25 VanDerWaalsContact CB-CD1 3.47Å; A9-Y25 HydrophobicContact CB-CE1 3.83Å; A21-Y25 WeakPolarHBondContact O-CB 3.44Å; A21-Y25 PolarHBondContact O-N 3.16Å; A22-Y25 PolarHBondContact O-N 2.86Å; Y25-T27 PolarHBondContact O-N 3.46Å; Y25-S28 WeakPolarHBondContact O-CB 3.43Å; Y25-S28 PolarHBondContact O-N 3.25Å; Y25-S28 PolarHBondContact O-OG 3.35Å; Y25-V29 HydrophobicContact CD2-CG1 4.24Å; Y25-V29 HydrophobicContact CE1-CG1 4.41Å; Y25-V29 HydrophobicContact CE1-CG2 4.29Å; Y25-V29 HydrophobicContact CE2-CG1 3.65Å; Y25-V29 WeakPolarHBondContact O-CG2 3.4Å; Y25-V29 PolarHBondContact O-N 3.41Å |
| 26 | L | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 178.7 | -70.8 | 170.7 | 0 | 0 | 0 | 111.1 | V6 A9 L10 T13 A22 E23 V29 R30 F35 Y59 | V6-L26 HydrophobicContact CG1-CD2 4.29Å; A9-L26 HydrophobicContact CB-CD2 4.06Å; A9-L26 HydrophobicContact CB-CG 4.15Å; L10-L26 HydrophobicContact CD2-CD1 3.95Å; L10-L26 HydrophobicContact CD2-CD2 4.35Å; L10-L26 HydrophobicContact CG-CD2 4.41Å; T13-L26 HydrophobicContact CG2-CD1 3.63Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.29Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.46Å; E23-L26 PolarHBondContact O-N 3.39Å; L26-V29 WeakPolarHBondContact O-CG2 3.49Å; L26-V29 PolarHBondContact O-N 3.38Å; L26-R30 WeakPolarHBondContact O-CB 3.26Å; L26-R30 PolarHBondContact O-N 3.34Å; L26-F35 HydrophobicContact CD2-CE2 4.39Å; L26-F35 HydrophobicContact CD2-CZ 4.24Å; L26-Y59 HydrophobicContact CB-CE1 4.15Å; L26-Y59 HydrophobicContact CD1-CE1 4.28Å; L26-Y59 HydrophobicContact CD1-CE2 3.88Å |
| 27 | T | 88 | Confident | 89.6 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 175 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | E23 E24 Y25 R30 | E23-T27 VanDerWaalsContact O-CB 3.25Å; E23-T27 WeakPolarHBondContact O-CB 3.24Å; E23-T27 PolarHBondContact O-N 3.2Å; E23-T27 PolarHBondContact O-OG1 2.98Å; E24-T27 PolarHBondContact O-N 3.08Å; Y25-T27 PolarHBondContact O-N 3.46Å; T27-R30 WeakPolarHBondContact O-CG 3.38Å |
| 28 | S | 87.7 | Confident | 90 | Very high | 78 Ų | 78 | 59.6 Ų | 59.6 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.9 | -34.3 | 177.4 | 78.9 | 0 | 0 | 0 | 0 | 112.8 | E24 Y25 | E24-S28 WeakPolarHBondContact O-CB 3.28Å; E24-S28 PolarHBondContact O-N 3.42Å; Y25-S28 WeakPolarHBondContact O-CB 3.43Å; Y25-S28 PolarHBondContact O-N 3.25Å; Y25-S28 PolarHBondContact O-OG 3.35Å |
| 29 | V | 88.9 | Confident | 90.3 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -93.5 | -14.3 | -177.5 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | M1 Y25 L26 K31 I32 F35 | M1-V29 HydrophobicContact CE-CB 4.45Å; Y25-V29 HydrophobicContact CD2-CG1 4.24Å; Y25-V29 HydrophobicContact CE1-CG1 4.41Å; Y25-V29 HydrophobicContact CE1-CG2 4.29Å; Y25-V29 HydrophobicContact CE2-CG1 3.65Å; Y25-V29 WeakPolarHBondContact O-CG2 3.4Å; Y25-V29 PolarHBondContact O-N 3.41Å; L26-V29 WeakPolarHBondContact O-CG2 3.49Å; L26-V29 PolarHBondContact O-N 3.38Å; V29-K31 PolarHBondContact O-N 3.29Å; V29-K31 VanDerWaalsContact O-N 3.08Å; V29-I32 HydrophobicContact CB-CD1 3.97Å; V29-I32 HydrophobicContact CG1-CD1 4.02Å; V29-I32 WeakPolarHBondContact O-CB 3.47Å; V29-I32 WeakPolarHBondContact O-CG1 3.41Å; V29-I32 PolarHBondContact O-N 3.23Å; V29-F35 HydrophobicContact CB-CD2 4.46Å; V29-F35 HydrophobicContact CG2-CD2 3.87Å; V29-F35 HydrophobicContact CG2-CE2 3.53Å; V29-F35 HydrophobicContact CG2-CZ 4.25Å |
| 30 | R | 89.1 | Confident | 90.6 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.9 | -174.9 | 78.6 | -172.8 | 173.9 | 172.8 | 4.2 | 114.5 | L26 T27 I32 F35 M63 Y67 F85 | L26-R30 WeakPolarHBondContact O-CB 3.26Å; L26-R30 PolarHBondContact O-N 3.34Å; T27-R30 WeakPolarHBondContact O-CG 3.38Å; R30-I32 VanDerWaalsContact C-N 3.35Å; R30-F35 HydrophobicContact CB-CD1 4.18Å; R30-F35 HydrophobicContact CB-CE1 3.95Å; R30-M63 HydrophobicContact CB-CE 4.42Å; R30-M63 HydrophobicContact CB-SD 4.14Å; R30-Y67 PolarHBondContact NH1-OH 2.91Å; R30-F85 WeakPolarHBondContact O-CZ 3.42Å |
| 31 | K | 87.3 | Confident | 90.9 | Very high | 132 Ų | 132 | 53.2 Ų | 53.2 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -3.4 | -179.7 | -62.1 | -170 | 178.3 | -174.3 | 0 | 114 | V29 F85 | V29-K31 PolarHBondContact O-N 3.29Å; V29-K31 VanDerWaalsContact O-N 3.08Å; K31-F85 HydrophobicContact CB-CD2 4.06Å; K31-F85 HydrophobicContact CB-CE2 3.9Å; K31-F85 HydrophobicContact CB-CZ 4.43Å; K31-F85 HydrophobicContact CD-CD2 4.29Å; K31-F85 HydrophobicContact CD-CG 4.42Å; K31-F85 HydrophobicContact CG-CD1 4.43Å; K31-F85 HydrophobicContact CG-CD2 3.83Å; K31-F85 HydrophobicContact CG-CE2 4.03Å; K31-F85 HydrophobicContact CG-CG 4.04Å; K31-F85 HydrophobicContact CG-CZ 4.41Å |
| 32 | I | 89.9 | Confident | 91.2 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 43% | 0.431 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -83.7 | 129.6 | -177.9 | -57.9 | 174.8 | 0 | 0 | 0 | 109.4 | M1 V29 R30 G34 F35 | M1-I32 HydrophobicContact CE-CB 3.56Å; M1-I32 HydrophobicContact CE-CD1 4.14Å; M1-I32 HydrophobicContact CE-CG1 4.41Å; M1-I32 HydrophobicContact CE-CG2 3.54Å; V29-I32 HydrophobicContact CB-CD1 3.97Å; V29-I32 HydrophobicContact CG1-CD1 4.02Å; V29-I32 WeakPolarHBondContact O-CB 3.47Å; V29-I32 WeakPolarHBondContact O-CG1 3.41Å; V29-I32 PolarHBondContact O-N 3.23Å; R30-I32 VanDerWaalsContact C-N 3.35Å; I32-G34 PolarHBondContact O-N 2.88Å; I32-F35 VanDerWaalsContact O-CB 3.24Å; I32-F35 WeakPolarHBondContact O-CB 3.2Å; I32-F35 PolarHBondContact O-N 3.26Å; I32-F35 VanDerWaalsContact O-N 3.1Å |
| 33 | I | 89.1 | Confident | 91.4 | Very high | 90 Ų | 90 | 49.9 Ų | 49.9 | 46% | 0.462 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 132.4 | 174.3 | -57.7 | 174.8 | 0 | 0 | 0 | 109.9 | H88 | I33-H88 HydrophobicContact CD1-CB 4.31Å; I33-H88 HydrophobicContact CG1-CB 4.06Å |
| 34 | G | 91.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -4.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I32 V38 D91 | I32-G34 PolarHBondContact O-N 2.88Å; G34-V38 WeakPolarHBondContact O-CB 3.46Å; G34-V38 VanDerWaalsContact O-CG2 3.25Å; G34-V38 WeakPolarHBondContact O-CG2 3.44Å; G34-V38 PolarHBondContact O-N 3.35Å; G34-V38 VanDerWaalsContact O-N 3.08Å; G34-D91 WeakPolarHBondContact CA-OD1 3.37Å; G34-D91 VanDerWaalsContact N-CG 3.27Å; G34-D91 PolarHBondContact N-OD1 3.45Å; G34-D91 PolarHBondContact N-OD2 3.13Å |
| 35 | F | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -53.8 | 179.2 | -179.1 | -112.6 | 0 | 0 | 0 | 112.6 | M1 V6 L26 V29 R30 I32 V38 L39 M63 | M1-F35 HydrophobicContact CE-CB 3.89Å; M1-F35 HydrophobicContact CE-CD2 4.07Å; M1-F35 HydrophobicContact CE-CG 4.47Å; M1-F35 HydrophobicContact SD-CB 4.19Å; M1-F35 HydrophobicContact SD-CD2 3.71Å; M1-F35 HydrophobicContact SD-CG 4.45Å; V6-F35 HydrophobicContact CG1-CE2 4.09Å; V6-F35 HydrophobicContact CG2-CE2 4.41Å; L26-F35 HydrophobicContact CD2-CE2 4.39Å; L26-F35 HydrophobicContact CD2-CZ 4.24Å; V29-F35 HydrophobicContact CB-CD2 4.46Å; V29-F35 HydrophobicContact CG2-CD2 3.87Å; V29-F35 HydrophobicContact CG2-CE2 3.53Å; V29-F35 HydrophobicContact CG2-CZ 4.25Å; R30-F35 HydrophobicContact CB-CD1 4.18Å; R30-F35 HydrophobicContact CB-CE1 3.95Å; I32-F35 VanDerWaalsContact O-CB 3.24Å; I32-F35 WeakPolarHBondContact O-CB 3.2Å; I32-F35 PolarHBondContact O-N 3.26Å; I32-F35 VanDerWaalsContact O-N 3.1Å; F35-V38 WeakPolarHBondContact O-CB 3.37Å; F35-V38 PolarHBondContact O-N 3.19Å; F35-V38 VanDerWaalsContact O-N 3.1Å; F35-L39 HydrophobicContact CD1-CD1 3.89Å; F35-L39 HydrophobicContact CD1-CG 4.45Å; F35-L39 HydrophobicContact CE1-CD1 3.42Å; F35-L39 VanDerWaalsContact CE1-CD1 3.42Å; F35-L39 HydrophobicContact CE1-CG 4.12Å; F35-L39 HydrophobicContact CE2-CD1 4.46Å; F35-L39 HydrophobicContact CE2-CD2 4.34Å; F35-L39 HydrophobicContact CE2-CG 4.3Å; F35-L39 HydrophobicContact CZ-CD1 3.75Å; F35-L39 HydrophobicContact CZ-CD2 4.08Å; F35-L39 HydrophobicContact CZ-CG 4.04Å; F35-L39 PolarHBondContact O-N 3.43Å; F35-M63 HydrophobicContact CD1-CE 4.11Å; F35-M63 HydrophobicContact CD1-SD 4.43Å; F35-M63 HydrophobicContact CE1-CG 4.37Å; F35-M63 HydrophobicContact CE1-SD 4.23Å |
| 36 | T | 93.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | -178.5 | -44.9 | 0 | 0 | 0 | 0 | 112.3 | V38 L39 L40 M63 I87 I95 | T36-V38 VanDerWaalsContact C-N 3.34Å; T36-V38 PolarHBondContact O-N 3.13Å; T36-L39 WeakPolarHBondContact O-CB 3.45Å; T36-L39 PolarHBondContact O-N 3.44Å; T36-L40 PolarHBondContact O-N 2.83Å; T36-M63 HydrophobicContact CG2-CB 4.33Å; T36-I87 HydrophobicContact CG2-CD1 4.38Å; T36-I95 HydrophobicContact CG2-CD1 4.04Å; T36-I95 HydrophobicContact CG2-CG1 4.2Å |
| 37 | P | 94.8 | Very high | 91.3 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 170.4 | -28.5 | 36.8 | 0 | 0 | 0 | 114.5 | L40 K41 D91 V94 I95 | P37-L40 PolarHBondContact O-N 3.26Å; P37-K41 PolarHBondContact O-N 3.37Å; P37-D91 HydrophobicContact CG-CB 3.83Å; P37-V94 HydrophobicContact CB-CB 4.5Å; P37-V94 HydrophobicContact CB-CG1 3.91Å; P37-V94 HydrophobicContact CG-CB 4.2Å; P37-V94 HydrophobicContact CG-CG1 4.15Å; P37-I95 HydrophobicContact CG-CD1 4.49Å |
| 38 | V | 94.6 | Very high | 91.5 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.2 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | M1 A3 V6 G34 F35 T36 K41 I42 | M1-V38 HydrophobicContact CB-CG2 4.25Å; M1-V38 HydrophobicContact SD-CB 4.47Å; M1-V38 HydrophobicContact SD-CG2 4.5Å; A3-V38 HydrophobicContact CB-CG1 3.95Å; V6-V38 HydrophobicContact CB-CG1 4.41Å; V6-V38 HydrophobicContact CG2-CG1 4.27Å; G34-V38 WeakPolarHBondContact O-CB 3.46Å; G34-V38 VanDerWaalsContact O-CG2 3.25Å; G34-V38 WeakPolarHBondContact O-CG2 3.44Å; G34-V38 PolarHBondContact O-N 3.35Å; G34-V38 VanDerWaalsContact O-N 3.08Å; F35-V38 WeakPolarHBondContact O-CB 3.37Å; F35-V38 PolarHBondContact O-N 3.19Å; F35-V38 VanDerWaalsContact O-N 3.1Å; T36-V38 VanDerWaalsContact C-N 3.34Å; T36-V38 PolarHBondContact O-N 3.13Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3Å; V38-I42 HydrophobicContact CG1-CD1 4.02Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 2.82Å |
| 39 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 173.7 | -69.6 | 173.4 | 0 | 0 | 0 | 111.4 | V6 L10 F35 T36 K41 I42 V43 V60 M63 | V6-L39 HydrophobicContact CG1-CD2 3.81Å; L10-L39 HydrophobicContact CD1-CD2 3.9Å; F35-L39 HydrophobicContact CD1-CD1 3.89Å; F35-L39 HydrophobicContact CD1-CG 4.45Å; F35-L39 HydrophobicContact CE1-CD1 3.42Å; F35-L39 VanDerWaalsContact CE1-CD1 3.42Å; F35-L39 HydrophobicContact CE1-CG 4.12Å; F35-L39 HydrophobicContact CE2-CD1 4.46Å; F35-L39 HydrophobicContact CE2-CD2 4.34Å; F35-L39 HydrophobicContact CE2-CG 4.3Å; F35-L39 HydrophobicContact CZ-CD1 3.75Å; F35-L39 HydrophobicContact CZ-CD2 4.08Å; F35-L39 HydrophobicContact CZ-CG 4.04Å; F35-L39 PolarHBondContact O-N 3.43Å; T36-L39 WeakPolarHBondContact O-CB 3.45Å; T36-L39 PolarHBondContact O-N 3.44Å; L39-K41 VanDerWaalsContact C-N 3.28Å; L39-K41 PolarHBondContact O-N 3.45Å; L39-I42 WeakPolarHBondContact O-CB 3.36Å; L39-I42 PolarHBondContact O-N 2.71Å; L39-I42 VanDerWaalsContact O-N 3.08Å; L39-V43 WeakPolarHBondContact O-CG2 3.46Å; L39-V43 PolarHBondContact O-N 2.96Å; L39-V60 HydrophobicContact CB-CG2 3.48Å; L39-V60 VanDerWaalsContact CB-CG2 3.48Å; L39-V60 HydrophobicContact CD1-CG2 4.36Å; L39-M63 HydrophobicContact CD1-CG 4.33Å |
| 40 | L | 94.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 176.4 | -174.3 | 63.4 | 0 | 0 | 0 | 111.8 | T36 P37 I42 V43 L44 I95 A102 L114 | T36-L40 PolarHBondContact O-N 2.83Å; P37-L40 PolarHBondContact O-N 3.26Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 PolarHBondContact O-N 3.19Å; L40-V43 WeakPolarHBondContact O-CB 3.24Å; L40-V43 PolarHBondContact O-N 3.45Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.27Å; L40-I95 HydrophobicContact CB-CD1 3.86Å; L40-I95 HydrophobicContact CD2-CD1 3.63Å; L40-I95 HydrophobicContact CG-CD1 4.36Å; L40-A102 HydrophobicContact CD1-CB 4.03Å; L40-L114 HydrophobicContact CD1-CD2 3.92Å |
| 41 | K | 93.7 | Very high | 91.9 | Very high | 147 Ų | 147 | 58.3 Ų | 58.3 | 64% | 0.639 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.8 | -38.9 | 173.9 | -171.6 | 179.7 | 179.5 | -179.4 | 0 | 112.4 | P37 V38 L39 L44 S45 | P37-K41 PolarHBondContact O-N 3.37Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3Å; L39-K41 VanDerWaalsContact C-N 3.28Å; L39-K41 PolarHBondContact O-N 3.45Å; K41-L44 PolarHBondContact O-N 2.86Å; K41-S45 PolarHBondContact O-N 3.49Å |
| 42 | I | 93.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.5 | -67.7 | 165.2 | 0 | 0 | 0 | 110.5 | A3 V6 A7 L10 V38 L39 L40 L44 S45 V48 A56 | A3-I42 HydrophobicContact CB-CG1 4.4Å; V6-I42 HydrophobicContact CB-CD1 3.79Å; V6-I42 HydrophobicContact CG1-CD1 3.63Å; A7-I42 HydrophobicContact CB-CD1 4.27Å; A7-I42 HydrophobicContact CB-CG2 4.4Å; L10-I42 HydrophobicContact CD1-CD1 4.36Å; L10-I42 HydrophobicContact CD1-CG2 4.39Å; V38-I42 HydrophobicContact CG1-CD1 4.02Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 2.82Å; L39-I42 WeakPolarHBondContact O-CB 3.36Å; L39-I42 PolarHBondContact O-N 2.71Å; L39-I42 VanDerWaalsContact O-N 3.08Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 PolarHBondContact O-N 3.19Å; I42-L44 PolarHBondContact O-N 2.74Å; I42-S45 PolarHBondContact O-N 2.83Å; I42-V48 HydrophobicContact CG2-CG1 4.04Å; I42-V48 HydrophobicContact CG2-CG2 4.32Å; I42-A56 HydrophobicContact CB-CB 4.34Å; I42-A56 HydrophobicContact CG2-CB 3.86Å |
| 43 | V | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.3 | -37.7 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | L39 L40 R53 A56 V57 V60 I110 | L39-V43 WeakPolarHBondContact O-CG2 3.46Å; L39-V43 PolarHBondContact O-N 2.96Å; L40-V43 WeakPolarHBondContact O-CB 3.24Å; L40-V43 PolarHBondContact O-N 3.45Å; V43-R53 PolarHBondContact O-NE 3.21Å; V43-R53 PolarHBondContact O-NH2 3.37Å; V43-R53 VanDerWaalsContact O-NH2 3.08Å; V43-A56 HydrophobicContact CG2-CB 3.59Å; V43-V57 HydrophobicContact CG1-CB 4.2Å; V43-V57 HydrophobicContact CG1-CG2 4.35Å; V43-V57 HydrophobicContact CG2-CB 3.8Å; V43-V57 HydrophobicContact CG2-CG2 4.41Å; V43-V60 HydrophobicContact CG2-CG2 4.37Å; V43-I110 HydrophobicContact CG1-CD1 4.46Å; V43-I110 HydrophobicContact CG1-CG2 3.4Å |
| 44 | L | 91.1 | Very high | 92.5 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -91.5 | -9.1 | -177.4 | -62.6 | 175.8 | 0 | 0 | 0 | 114.6 | L40 K41 I42 E46 A102 | L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.27Å; K41-L44 PolarHBondContact O-N 2.86Å; I42-L44 PolarHBondContact O-N 2.74Å; L44-E46 PolarHBondContact O-N 2.87Å; L44-A102 HydrophobicContact CD1-CB 3.78Å; L44-A102 HydrophobicContact CD2-CB 3.79Å; L44-A102 HydrophobicContact CG-CB 4.19Å |
| 45 | S | 91.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | trans | -75.4 | 122.5 | -178.5 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | K41 I42 D47 V48 R53 | K41-S45 PolarHBondContact O-N 3.49Å; I42-S45 PolarHBondContact O-N 2.83Å; S45-D47 VanDerWaalsContact C-N 3.25Å; S45-D47 PolarHBondContact O-N 3.48Å; S45-V48 PolarHBondContact O-N 3.28Å; S45-R53 WeakPolarHBondContact O-CD 3.41Å | ||
| 46 | E | 87.2 | Confident | 92.6 | Very high | 179 Ų | 179 | 49.3 Ų | 49.3 | 84% | 0.836 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.2 | 175.5 | -63.2 | -172.6 | 165.2 | 0 | 0 | 112.6 | L44 V48 | L44-E46 PolarHBondContact O-N 2.87Å; E46-V48 PolarHBondContact O-N 2.87Å |
| 47 | D | 89.9 | Confident | 92.7 | Very high | 159 Ų | 159 | 49.3 Ų | 49.3 | 85% | 0.85 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -7.1 | 177.5 | -56.7 | -51.9 | 0 | 0 | 0 | 113.2 | S45 | S45-D47 VanDerWaalsContact C-N 3.25Å; S45-D47 PolarHBondContact O-N 3.48Å |
| 48 | V | 91.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -100.6 | 131.9 | -178.2 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | I42 S45 E46 V52 R53 | I42-V48 HydrophobicContact CG2-CG1 4.04Å; I42-V48 HydrophobicContact CG2-CG2 4.32Å; S45-V48 PolarHBondContact O-N 3.28Å; E46-V48 PolarHBondContact O-N 2.87Å; V48-V52 HydrophobicContact CG1-CB 3.65Å; V48-V52 HydrophobicContact CG1-CG1 3.6Å; V48-R53 HydrophobicContact CB-CG 3.98Å; V48-R53 HydrophobicContact CG1-CG 3.82Å; V48-R53 WeakPolarHBondContact O-CD 3.48Å |
| 49 | E | 91.5 | Very high | 92.6 | Very high | 99 Ų | 99 | 53 Ų | 53 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | trans | -56.4 | 140.4 | 179.4 | -65 | 172.5 | -174.2 | 0 | 0 | 112 | K11 P51 V52 R53 | K11-E49 WeakPolarHBondContact CE-OE2 3.25Å; K11-E49 IonicContact NZ-OE1 3.93Å; K11-E49 PolarHBondContact NZ-OE1 3.38Å; K11-E49 IonicContact NZ-OE2 2.73Å; K11-E49 PolarHBondContact NZ-OE2 2.94Å; E49-P51 VanDerWaalsContact C-CD 3.46Å; E49-V52 HydrophobicContact CB-CG2 4.35Å; E49-V52 WeakPolarHBondContact O-CB 3.46Å; E49-V52 PolarHBondContact O-N 2.85Å; E49-R53 PolarHBondContact O-N 2.71Å; E49-R53 VanDerWaalsContact O-N 3.12Å | ||
| 50 | P | 90.3 | Very high | 92.6 | Very high | 83 Ų | 83 | 53 Ų | 53 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.3 | -40.9 | -176.9 | -25.3 | 32 | 0 | 0 | 0 | 115.9 | V52 R53 H54 | P50-V52 VanDerWaalsContact C-N 3.31Å; P50-V52 PolarHBondContact O-N 3.42Å; P50-R53 WeakPolarHBondContact O-CB 3.32Å; P50-R53 PolarHBondContact O-N 3.4Å; P50-H54 PolarHBondContact O-N 3.14Å |
| 51 | P | 91.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.3 | -24.3 | 35.8 | 0 | 0 | 0 | 113.3 | M14 E49 H54 A55 | M14-P51 HydrophobicContact CE-CB 3.99Å; M14-P51 HydrophobicContact SD-CB 3.67Å; E49-P51 VanDerWaalsContact C-CD 3.46Å; P51-H54 PolarHBondContact O-N 3.15Å; P51-A55 PolarHBondContact O-N 3.46Å |
| 52 | V | 93.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.8 | -37.5 | 177.5 | -178 | 0 | 0 | 0 | 0 | 110.5 | A7 L10 K11 M14 V48 E49 P50 H54 A55 A56 | A7-V52 HydrophobicContact CB-CG1 4.37Å; L10-V52 HydrophobicContact CB-CG1 3.95Å; K11-V52 HydrophobicContact CB-CG2 3.77Å; K11-V52 HydrophobicContact CD-CG2 4.26Å; K11-V52 HydrophobicContact CG-CG2 4.02Å; M14-V52 HydrophobicContact CE-CG2 3.76Å; V48-V52 HydrophobicContact CG1-CB 3.65Å; V48-V52 HydrophobicContact CG1-CG1 3.6Å; E49-V52 HydrophobicContact CB-CG2 4.35Å; E49-V52 WeakPolarHBondContact O-CB 3.46Å; E49-V52 PolarHBondContact O-N 2.85Å; P50-V52 VanDerWaalsContact C-N 3.31Å; P50-V52 PolarHBondContact O-N 3.42Å; V52-H54 VanDerWaalsContact C-N 3.33Å; V52-A55 PolarHBondContact O-N 2.91Å; V52-A56 WeakPolarHBondContact O-CB 3.46Å; V52-A56 PolarHBondContact O-N 3.27Å |
| 53 | R | 94.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 15% | 0.151 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 173.3 | -63 | 173.8 | 60.8 | -175.8 | 3.1 | 111.9 | V43 S45 V48 E49 P50 A56 V57 I110 | V43-R53 PolarHBondContact O-NE 3.21Å; V43-R53 PolarHBondContact O-NH2 3.37Å; V43-R53 VanDerWaalsContact O-NH2 3.08Å; S45-R53 WeakPolarHBondContact O-CD 3.41Å; V48-R53 HydrophobicContact CB-CG 3.98Å; V48-R53 HydrophobicContact CG1-CG 3.82Å; V48-R53 WeakPolarHBondContact O-CD 3.48Å; E49-R53 PolarHBondContact O-N 2.71Å; E49-R53 VanDerWaalsContact O-N 3.12Å; P50-R53 WeakPolarHBondContact O-CB 3.32Å; P50-R53 PolarHBondContact O-N 3.4Å; R53-A56 PolarHBondContact O-N 2.91Å; R53-V57 PolarHBondContact O-N 3.06Å; R53-I110 HydrophobicContact CB-CD1 3.91Å |
| 54 | H | 91.4 | Very high | 92.7 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 33% | 0.333 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 173 | -67.3 | 159.7 | 0 | 0 | 0 | 111.8 | P50 P51 V52 A56 V57 I58 | P50-H54 PolarHBondContact O-N 3.14Å; P51-H54 PolarHBondContact O-N 3.15Å; V52-H54 VanDerWaalsContact C-N 3.33Å; H54-A56 VanDerWaalsContact C-N 3.27Å; H54-A56 PolarHBondContact O-N 3.35Å; H54-V57 VanDerWaalsContact O-CG1 3.31Å; H54-V57 WeakPolarHBondContact O-CG1 3.43Å; H54-V57 PolarHBondContact O-N 3Å; H54-I58 WeakPolarHBondContact O-CG1 3.17Å; H54-I58 PolarHBondContact O-N 3.26Å; H54-I58 VanDerWaalsContact O-N 3.15Å |
| 55 | A | 92 | Very high | 92.7 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L10 P51 V52 I58 Y59 | L10-A55 HydrophobicContact CB-CB 4.49Å; L10-A55 HydrophobicContact CD2-CB 4.39Å; P51-A55 PolarHBondContact O-N 3.46Å; V52-A55 PolarHBondContact O-N 2.91Å; A55-I58 PolarHBondContact O-N 3.2Å; A55-Y59 PolarHBondContact O-N 2.91Å |
| 56 | A | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L10 I42 V43 V52 R53 H54 I58 Y59 V60 | L10-A56 HydrophobicContact CD1-CB 3.75Å; I42-A56 HydrophobicContact CB-CB 4.34Å; I42-A56 HydrophobicContact CG2-CB 3.86Å; V43-A56 HydrophobicContact CG2-CB 3.59Å; V52-A56 WeakPolarHBondContact O-CB 3.46Å; V52-A56 PolarHBondContact O-N 3.27Å; R53-A56 PolarHBondContact O-N 2.91Å; H54-A56 VanDerWaalsContact C-N 3.27Å; H54-A56 PolarHBondContact O-N 3.35Å; A56-I58 VanDerWaalsContact C-N 3.33Å; A56-I58 PolarHBondContact O-N 3Å; A56-Y59 WeakPolarHBondContact O-CB 3.23Å; A56-Y59 PolarHBondContact O-N 3.02Å; A56-V60 WeakPolarHBondContact O-CG2 3.44Å; A56-V60 PolarHBondContact O-N 2.92Å |
| 57 | V | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.2 | -32.5 | -178.3 | 75.1 | 0 | 0 | 0 | 0 | 112.2 | V43 R53 H54 V60 K61 I110 Q113 L114 | V43-V57 HydrophobicContact CG1-CB 4.2Å; V43-V57 HydrophobicContact CG1-CG2 4.35Å; V43-V57 HydrophobicContact CG2-CB 3.8Å; V43-V57 HydrophobicContact CG2-CG2 4.41Å; R53-V57 PolarHBondContact O-N 3.06Å; H54-V57 VanDerWaalsContact O-CG1 3.31Å; H54-V57 WeakPolarHBondContact O-CG1 3.43Å; H54-V57 PolarHBondContact O-N 3Å; V57-V60 PolarHBondContact O-N 3.29Å; V57-K61 WeakPolarHBondContact O-CB 3.36Å; V57-K61 PolarHBondContact O-N 3.45Å; V57-I110 HydrophobicContact CB-CG2 4.35Å; V57-I110 HydrophobicContact CG1-CG1 4.43Å; V57-I110 HydrophobicContact CG2-CG2 4.12Å; V57-Q113 HydrophobicContact CB-CB 4.43Å; V57-Q113 HydrophobicContact CG1-CB 3.93Å; V57-Q113 HydrophobicContact CG1-CG 3.98Å; V57-Q113 HydrophobicContact CG2-CB 3.64Å; V57-L114 HydrophobicContact CG2-CD2 3.77Å; V57-L114 HydrophobicContact CG2-CG 3.9Å |
| 58 | I | 94 | Very high | 92.8 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65 | -42.4 | 171.9 | -63 | -59 | 0 | 0 | 0 | 110.5 | H54 A55 A56 K61 N62 Q113 | H54-I58 WeakPolarHBondContact O-CG1 3.17Å; H54-I58 PolarHBondContact O-N 3.26Å; H54-I58 VanDerWaalsContact O-N 3.15Å; A55-I58 PolarHBondContact O-N 3.2Å; A56-I58 VanDerWaalsContact C-N 3.33Å; A56-I58 PolarHBondContact O-N 3Å; I58-K61 PolarHBondContact O-N 3.19Å; I58-N62 VanDerWaalsContact O-CG 3.23Å; I58-N62 PolarHBondContact O-N 3.47Å; I58-N62 PolarHBondContact O-OD1 3.1Å; I58-Q113 HydrophobicContact CD1-CG 4.07Å |
| 59 | Y | 93.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 173.4 | -107 | -91.1 | 0 | 0 | 0 | 112.5 | L10 L26 A55 A56 K61 N62 M63 | L10-Y59 HydrophobicContact CD2-CD2 3.75Å; L10-Y59 HydrophobicContact CD2-CE2 4.19Å; L10-Y59 HydrophobicContact CD2-CG 4.19Å; L26-Y59 HydrophobicContact CB-CE1 4.15Å; L26-Y59 HydrophobicContact CD1-CE1 4.28Å; L26-Y59 HydrophobicContact CD1-CE2 3.88Å; A55-Y59 PolarHBondContact O-N 2.91Å; A56-Y59 WeakPolarHBondContact O-CB 3.23Å; A56-Y59 PolarHBondContact O-N 3.02Å; Y59-K61 VanDerWaalsContact C-N 3.34Å; Y59-K61 PolarHBondContact O-N 3.26Å; Y59-N62 PolarHBondContact O-N 3.35Å; Y59-M63 WeakPolarHBondContact O-CB 3.38Å; Y59-M63 WeakPolarHBondContact O-CG 3.37Å; Y59-M63 PolarHBondContact O-N 3.47Å |
| 60 | V | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -47.7 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | L39 V43 A56 V57 M63 I64 | L39-V60 HydrophobicContact CB-CG2 3.48Å; L39-V60 VanDerWaalsContact CB-CG2 3.48Å; L39-V60 HydrophobicContact CD1-CG2 4.36Å; V43-V60 HydrophobicContact CG2-CG2 4.37Å; A56-V60 WeakPolarHBondContact O-CG2 3.44Å; A56-V60 PolarHBondContact O-N 2.92Å; V57-V60 PolarHBondContact O-N 3.29Å; V60-M63 PolarHBondContact O-N 3.16Å; V60-I64 HydrophobicContact CG1-CD1 3.64Å; V60-I64 HydrophobicContact CG1-CG1 4.46Å; V60-I64 WeakPolarHBondContact O-CG1 3.37Å; V60-I64 PolarHBondContact O-N 2.89Å |
| 61 | K | 95.4 | Very high | 91 | Very high | 47 Ų | 47 | 44 Ų | 44 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 178.2 | -176 | -176.3 | 68.9 | 177.8 | 0 | 111.9 | V57 I58 Y59 M63 I64 N65 C117 | V57-K61 WeakPolarHBondContact O-CB 3.36Å; V57-K61 PolarHBondContact O-N 3.45Å; I58-K61 PolarHBondContact O-N 3.19Å; Y59-K61 VanDerWaalsContact C-N 3.34Å; Y59-K61 PolarHBondContact O-N 3.26Å; K61-M63 VanDerWaalsContact C-N 3.31Å; K61-M63 PolarHBondContact O-N 2.78Å; K61-I64 PolarHBondContact O-N 3.15Å; K61-N65 WeakPolarHBondContact O-CB 3.47Å; K61-N65 PolarHBondContact O-N 2.86Å; K61-C117 WeakPolarHBondContact CA-SG 3.43Å |
| 62 | N | 92.7 | Very high | 89.2 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 180 | -66.1 | -5.2 | 0 | 0 | 0 | 111.2 | I58 Y59 S66 | I58-N62 VanDerWaalsContact O-CG 3.23Å; I58-N62 PolarHBondContact O-N 3.47Å; I58-N62 PolarHBondContact O-OD1 3.1Å; Y59-N62 PolarHBondContact O-N 3.35Å; N62-S66 VanDerWaalsContact O-CB 3.31Å; N62-S66 WeakPolarHBondContact O-CB 3.41Å; N62-S66 PolarHBondContact O-N 3.43Å; N62-S66 PolarHBondContact O-OG 3.33Å |
| 63 | M | 93.7 | Very high | 87.2 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.6 | -74.2 | -66.5 | -61.3 | 0 | 0 | 111.9 | R30 F35 T36 L39 Y59 V60 K61 Y67 F85 I87 | R30-M63 HydrophobicContact CB-CE 4.42Å; R30-M63 HydrophobicContact CB-SD 4.14Å; F35-M63 HydrophobicContact CD1-CE 4.11Å; F35-M63 HydrophobicContact CD1-SD 4.43Å; F35-M63 HydrophobicContact CE1-CG 4.37Å; F35-M63 HydrophobicContact CE1-SD 4.23Å; T36-M63 HydrophobicContact CG2-CB 4.33Å; L39-M63 HydrophobicContact CD1-CG 4.33Å; Y59-M63 WeakPolarHBondContact O-CB 3.38Å; Y59-M63 WeakPolarHBondContact O-CG 3.37Å; Y59-M63 PolarHBondContact O-N 3.47Å; V60-M63 PolarHBondContact O-N 3.16Å; K61-M63 VanDerWaalsContact C-N 3.31Å; K61-M63 PolarHBondContact O-N 2.78Å; M63-Y67 HydrophobicContact CE-CD2 4.03Å; M63-Y67 WeakPolarHBondContact O-CB 3.37Å; M63-Y67 PolarHBondContact O-N 3.09Å; M63-Y67 HydrophobicContact SD-CD2 3.8Å; M63-Y67 HydrophobicContact SD-CE2 3.9Å; M63-F85 HydrophobicContact CE-CE1 3.96Å; M63-F85 HydrophobicContact CE-CZ 4.32Å; M63-I87 HydrophobicContact CB-CD1 4.32Å; M63-I87 HydrophobicContact CE-CG1 4.31Å; M63-I87 WeakPolarHBondContact O-CD1 3.37Å |
| 64 | I | 94.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -47.9 | 179.2 | -68.9 | 168.1 | 0 | 0 | 0 | 110.5 | V60 K61 S66 W68 I95 C117 T120 I121 | V60-I64 HydrophobicContact CG1-CD1 3.64Å; V60-I64 HydrophobicContact CG1-CG1 4.46Å; V60-I64 WeakPolarHBondContact O-CG1 3.37Å; V60-I64 PolarHBondContact O-N 2.89Å; K61-I64 PolarHBondContact O-N 3.15Å; I64-S66 VanDerWaalsContact C-N 3.33Å; I64-S66 PolarHBondContact O-N 2.82Å; I64-W68 HydrophobicContact CB-CE3 4.37Å; I64-W68 HydrophobicContact CG1-CE3 3.9Å; I64-W68 HydrophobicContact CG1-CZ3 4.14Å; I64-W68 HydrophobicContact CG2-CB 4.31Å; I64-W68 HydrophobicContact CG2-CD2 4.37Å; I64-W68 HydrophobicContact CG2-CE3 4.07Å; I64-W68 WeakPolarHBondContact O-CB 3.46Å; I64-W68 PolarHBondContact O-N 3.1Å; I64-W68 VanDerWaalsContact O-N 3.16Å; I64-I95 HydrophobicContact CD1-CG2 4.28Å; I64-C117 HydrophobicContact CD1-CB 3.65Å; I64-T120 HydrophobicContact CG2-CG2 4.02Å; I64-I121 HydrophobicContact CD1-CD1 4.17Å; I64-I121 HydrophobicContact CG2-CG1 3.96Å |
| 65 | N | 91.3 | Very high | 83.1 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | -177.6 | -72.6 | -3.7 | 0 | 0 | 0 | 112.8 | K61 T120 | K61-N65 WeakPolarHBondContact O-CB 3.47Å; K61-N65 PolarHBondContact O-N 2.86Å; N65-T120 PolarHBondContact OD1-OG1 2.96Å |
| 66 | S | 89.1 | Confident | 80.9 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 56% | 0.559 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -90.7 | -24.5 | -176.5 | -58.1 | 0 | 0 | 0 | 0 | 114.8 | N62 I64 | N62-S66 VanDerWaalsContact O-CB 3.31Å; N62-S66 WeakPolarHBondContact O-CB 3.41Å; N62-S66 PolarHBondContact O-N 3.43Å; N62-S66 PolarHBondContact O-OG 3.33Å; I64-S66 VanDerWaalsContact C-N 3.33Å; I64-S66 PolarHBondContact O-N 2.82Å |
| 67 | Y | 91.2 | Very high | 78.4 | Confident | 48 Ų | 48 | 74.3 Ų | 74.3 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -134.6 | 13.1 | -167 | -49 | -65.7 | 0 | 0 | 0 | 114.3 | R30 M63 F85 T86 I87 | R30-Y67 PolarHBondContact NH1-OH 2.91Å; M63-Y67 HydrophobicContact CE-CD2 4.03Å; M63-Y67 WeakPolarHBondContact O-CB 3.37Å; M63-Y67 PolarHBondContact O-N 3.09Å; M63-Y67 HydrophobicContact SD-CD2 3.8Å; M63-Y67 HydrophobicContact SD-CE2 3.9Å; Y67-F85 AromaticContact CD1-CD1 3.63Å; Y67-F85 HydrophobicContact CD1-CD1 3.63Å; Y67-F85 HydrophobicContact CD1-CE1 4.24Å; Y67-F85 VanDerWaalsContact CD1-O 3.3Å; Y67-F85 WeakPolarHBondContact CD1-O 3.29Å; Y67-F85 HydrophobicContact CD2-CD1 4.27Å; Y67-F85 HydrophobicContact CD2-CE1 4.11Å; Y67-F85 HydrophobicContact CE1-CD1 4.05Å; Y67-F85 AromaticContact CG-CD1 3.75Å; Y67-F85 HydrophobicContact CG-CD1 3.75Å; Y67-F85 AromaticContact CG-CE1 3.87Å; Y67-F85 HydrophobicContact CG-CE1 3.87Å; Y67-T86 CarbonylContact O-C 3.54Å; Y67-T86 WeakPolarHBondContact O-CA 3.47Å; Y67-I87 PolarHBondContact O-N 2.76Å |
| 68 | W | 92 | Very high | 76.1 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -83.2 | -39.5 | 175 | -163.1 | -82 | 0 | 0 | 0 | 113 | I64 I87 R92 I95 R96 I121 L124 D125 | I64-W68 HydrophobicContact CB-CE3 4.37Å; I64-W68 HydrophobicContact CG1-CE3 3.9Å; I64-W68 HydrophobicContact CG1-CZ3 4.14Å; I64-W68 HydrophobicContact CG2-CB 4.31Å; I64-W68 HydrophobicContact CG2-CD2 4.37Å; I64-W68 HydrophobicContact CG2-CE3 4.07Å; I64-W68 WeakPolarHBondContact O-CB 3.46Å; I64-W68 PolarHBondContact O-N 3.1Å; I64-W68 VanDerWaalsContact O-N 3.16Å; W68-I87 HydrophobicContact CE3-CD1 4.09Å; W68-R92 HydrophobicContact CD2-CG 4.26Å; W68-R92 HydrophobicContact CE3-CG 4.14Å; W68-R92 HydrophobicContact CH2-CB 3.6Å; W68-R92 HydrophobicContact CH2-CG 3.81Å; W68-R92 HydrophobicContact CZ2-CB 3.69Å; W68-R92 HydrophobicContact CZ2-CG 3.88Å; W68-R92 HydrophobicContact CZ3-CB 4.18Å; W68-R92 HydrophobicContact CZ3-CG 3.93Å; W68-R92 PolarHBondContact O-NH1 2.99Å; W68-R92 PolarHBondContact O-NH2 2.7Å; W68-I95 HydrophobicContact CH2-CB 4.05Å; W68-I95 HydrophobicContact CH2-CG2 4Å; W68-I95 HydrophobicContact CZ3-CB 4.14Å; W68-I95 HydrophobicContact CZ3-CG2 3.98Å; W68-R96 HydrophobicContact CH2-CG 4.34Å; W68-R96 HydrophobicContact CZ2-CG 4.16Å; W68-I121 HydrophobicContact CD2-CG1 4.03Å; W68-I121 HydrophobicContact CE3-CG1 4.2Å; W68-I121 HydrophobicContact CH2-CD1 3.81Å; W68-I121 HydrophobicContact CH2-CG1 3.88Å; W68-I121 HydrophobicContact CH2-CG2 4.33Å; W68-I121 HydrophobicContact CZ2-CB 4.26Å; W68-I121 HydrophobicContact CZ2-CD1 4.13Å; W68-I121 HydrophobicContact CZ2-CG1 3.74Å; W68-I121 HydrophobicContact CZ2-CG2 3.64Å; W68-I121 HydrophobicContact CZ3-CD1 4.08Å; W68-I121 HydrophobicContact CZ3-CG1 4.12Å; W68-L124 HydrophobicContact CB-CD1 4.21Å; W68-L124 HydrophobicContact CG-CD1 4.24Å; W68-D125 PolarHBondContact NE1-OD1 3.46Å; W68-D125 PolarHBondContact NE1-OD2 3.06Å |
| 69 | E | 87.7 | Confident | 73.9 | Confident | 109 Ų | 109 | 82.6 Ų | 82.6 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -71.8 | 133.9 | -178.7 | -167.1 | 154 | -160.3 | 0 | 0 | 111.2 | T86 L124 | E69-T86 WeakPolarHBondContact O-CG2 3.35Å; E69-L124 HydrophobicContact CB-CD1 3.84Å; E69-L124 HydrophobicContact CB-CD2 4.43Å; E69-L124 HydrophobicContact CG-CD1 4.36Å; E69-L124 HydrophobicContact CG-CD2 4.04Å |
| 70 | E | 78.9 | Confident | 71.7 | Confident | 87 Ų | 87 | 87.6 Ų | 87.6 | 41% | 0.407 | 45% | 0.445 | S | S | . | . | trans | -92 | 108.2 | 172.6 | -72.6 | 169.9 | -161.2 | 0 | 0 | 107.9 | P72 R92 R129 | E70-P72 WeakPolarHBondContact O-CD 3.36Å; E70-R92 IonicContact OE1-CZ 2.88Å; E70-R92 IonicContact OE1-NH1 3.95Å; E70-R92 PolarHBondContact OE1-NH1 2.98Å; E70-R92 IonicContact OE1-NH2 3.24Å; E70-R92 PolarHBondContact OE1-NH2 2.87Å; E70-R129 VanDerWaalsContact CD-NH2 3.34Å; E70-R129 IonicContact OE1-CZ 3.84Å; E70-R129 IonicContact OE1-NH1 3.5Å; E70-R129 PolarHBondContact OE1-NH1 2.97Å; E70-R129 IonicContact OE1-NH2 3.06Å; E70-R129 PolarHBondContact OE1-NH2 2.99Å; E70-R129 IonicContact OE2-CZ 3.85Å; E70-R129 IonicContact OE2-NH1 3.41Å; E70-R129 IonicContact OE2-NH2 3.21Å; E70-R129 PolarHBondContact OE2-NH2 3.32Å | ||
| 71 | V | 67.7 | Low | 69.1 | Low | 70 Ų | 70 | 99 Ų | 99 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | trans | -65.7 | 123.4 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | E75 T76 | V71-E75 HydrophobicContact CG1-CB 4.4Å; V71-T76 HydrophobicContact CG1-CG2 4.44Å | ||
| 72 | P | 55.2 | Low | 66.9 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | trans | -55.4 | 138.6 | 179.8 | -24 | 32.8 | 0 | 0 | 0 | 112.3 | E70 E74 E75 T76 | E70-P72 WeakPolarHBondContact O-CD 3.36Å; P72-E74 PolarHBondContact O-N 3.28Å; P72-E75 PolarHBondContact O-N 2.94Å; P72-E75 VanDerWaalsContact O-N 3.16Å; P72-T76 PolarHBondContact O-OG1 3.3Å | ||
| 73 | E | 51.8 | Low | 65.1 | Low | 175 Ų | 175 | 103.5 Ų | 103.5 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.9 | 175.4 | -71.4 | -172.3 | 165.6 | 0 | 0 | 112.6 | T76 | E73-T76 WeakPolarHBondContact CA-OG1 3.36Å; E73-T76 PolarHBondContact O-N 3.25Å; E73-T76 PolarHBondContact O-OG1 3.35Å; E73-T76 VanDerWaalsContact O-OG1 3.11Å |
| 74 | E | 49 | Very low | 64 | Low | 153 Ų | 153 | 107.5 Ų | 107.5 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -34.1 | 179.5 | -63.6 | -174.9 | 165.1 | 0 | 0 | 112.7 | P72 T76 | P72-E74 PolarHBondContact O-N 3.28Å; E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 3.28Å |
| 75 | E | 49.6 | Very low | 63.4 | Low | 149 Ų | 149 | 109.7 Ų | 109.7 | 70% | 0.696 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -16 | 175.8 | -70.4 | 174.9 | -177.9 | 0 | 0 | 112.5 | V71 P72 | V71-E75 HydrophobicContact CG1-CB 4.4Å; P72-E75 PolarHBondContact O-N 2.94Å; P72-E75 VanDerWaalsContact O-N 3.16Å |
| 76 | T | 46.7 | Very low | 63.3 | Low | 76 Ų | 76 | 108.2 Ų | 108.2 | 47% | 0.466 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.6 | 18.8 | 179.5 | 40 | 0 | 0 | 0 | 0 | 113.5 | V71 P72 E73 E74 G78 | V71-T76 HydrophobicContact CG1-CG2 4.44Å; P72-T76 PolarHBondContact O-OG1 3.3Å; E73-T76 WeakPolarHBondContact CA-OG1 3.36Å; E73-T76 PolarHBondContact O-N 3.25Å; E73-T76 PolarHBondContact O-OG1 3.35Å; E73-T76 VanDerWaalsContact O-OG1 3.11Å; E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 3.28Å; T76-G78 PolarHBondContact O-N 3.3Å |
| 77 | R | 42.3 | Very low | 63.3 | Low | 218 Ų | 218 | 104.5 Ų | 104.5 | 82% | 0.823 | 53% | 0.532 | S | S | * | . | trans | -71 | 64.9 | 171.6 | -73.8 | -173.3 | 177.3 | -179.5 | 5.6 | 112.5 | ||||
| 78 | G | 47.2 | Very low | 63.3 | Low | 46 Ų | 46 | 106.8 Ų | 106.8 | 47% | 0.474 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -142 | 148 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T76 N80 | T76-G78 PolarHBondContact O-N 3.3Å; G78-N80 PolarHBondContact O-N 3.36Å |
| 79 | E | 47.5 | Very low | 63.3 | Low | 195 Ų | 195 | 110.1 Ų | 110.1 | 91% | 0.911 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -59.6 | -8.1 | -168.9 | -68.1 | -173.7 | 142.7 | 0 | 0 | 115.8 | R81 | E79-R81 PolarHBondContact O-N 3.25Å; E79-R81 VanDerWaalsContact O-N 3.12Å |
| 80 | N | 46.4 | Very low | 63.5 | Low | 162 Ų | 162 | 110.8 Ų | 110.8 | 87% | 0.866 | 56% | 0.562 | S | S | * | * | trans | -86.6 | 76.6 | 174.5 | -76.8 | -21.8 | 0 | 0 | 0 | 112.4 | G78 A82 | G78-N80 PolarHBondContact O-N 3.36Å; N80-A82 VanDerWaalsContact C-N 3.26Å; N80-A82 PolarHBondContact O-N 2.96Å | ||
| 81 | R | 42.1 | Very low | 64.2 | Low | 240 Ų | 240 | 107.1 Ų | 107.1 | 91% | 0.906 | 55% | 0.546 | S | S | * | . | trans | -64.6 | 60.4 | 175.4 | -65.9 | -179.7 | 173.3 | -179.1 | -1.4 | 115.2 | E79 T83 | E79-R81 PolarHBondContact O-N 3.25Å; E79-R81 VanDerWaalsContact O-N 3.12Å; R81-T83 PolarHBondContact O-N 3.09Å | ||
| 82 | A | 47.9 | Very low | 65.5 | Low | 78 Ų | 78 | 104 Ų | 104 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | trans | -88.2 | 102.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | N80 V84 | N80-A82 VanDerWaalsContact C-N 3.26Å; N80-A82 PolarHBondContact O-N 2.96Å; A82-V84 PolarHBondContact O-N 2.61Å | ||
| 83 | T | 55.9 | Low | 67.3 | Low | 140 Ų | 140 | 106.1 Ų | 106.1 | 86% | 0.859 | 53% | 0.529 | S | S | * | . | trans | -52 | 108.3 | 167.1 | 48 | 0 | 0 | 0 | 0 | 108.2 | R81 F85 | R81-T83 PolarHBondContact O-N 3.09Å; T83-F85 PolarHBondContact O-N 2.84Å | ||
| 84 | V | 69.9 | Low | 69.3 | Low | 89 Ų | 89 | 101.1 Ų | 101.1 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | trans | -62 | 124.5 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | A82 T86 | A82-V84 PolarHBondContact O-N 2.61Å; V84-T86 PolarHBondContact O-N 3.43Å | ||
| 85 | F | 82.4 | Confident | 71.5 | Confident | 46 Ų | 46 | 93.8 Ų | 93.8 | 20% | 0.202 | 48% | 0.476 | C | S | . | . | trans | -65.7 | 127.7 | -179.1 | 165.8 | -100.5 | 0 | 0 | 0 | 109.5 | R30 K31 M63 Y67 T83 | R30-F85 WeakPolarHBondContact O-CZ 3.42Å; K31-F85 HydrophobicContact CB-CD2 4.06Å; K31-F85 HydrophobicContact CB-CE2 3.9Å; K31-F85 HydrophobicContact CB-CZ 4.43Å; K31-F85 HydrophobicContact CD-CD2 4.29Å; K31-F85 HydrophobicContact CD-CG 4.42Å; K31-F85 HydrophobicContact CG-CD1 4.43Å; K31-F85 HydrophobicContact CG-CD2 3.83Å; K31-F85 HydrophobicContact CG-CE2 4.03Å; K31-F85 HydrophobicContact CG-CG 4.04Å; K31-F85 HydrophobicContact CG-CZ 4.41Å; M63-F85 HydrophobicContact CE-CE1 3.96Å; M63-F85 HydrophobicContact CE-CZ 4.32Å; Y67-F85 AromaticContact CD1-CD1 3.63Å; Y67-F85 HydrophobicContact CD1-CD1 3.63Å; Y67-F85 HydrophobicContact CD1-CE1 4.24Å; Y67-F85 VanDerWaalsContact CD1-O 3.3Å; Y67-F85 WeakPolarHBondContact CD1-O 3.29Å; Y67-F85 HydrophobicContact CD2-CD1 4.27Å; Y67-F85 HydrophobicContact CD2-CE1 4.11Å; Y67-F85 HydrophobicContact CE1-CD1 4.05Å; Y67-F85 AromaticContact CG-CD1 3.75Å; Y67-F85 HydrophobicContact CG-CD1 3.75Å; Y67-F85 AromaticContact CG-CE1 3.87Å; Y67-F85 HydrophobicContact CG-CE1 3.87Å; T83-F85 PolarHBondContact O-N 2.84Å | ||
| 86 | T | 88.5 | Confident | 73.7 | Confident | 44 Ų | 44 | 87.3 Ų | 87.3 | 27% | 0.27 | 45% | 0.445 | S | S | . | . | trans | -126.2 | 149.8 | 173.5 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | Y67 E69 V84 H88 | Y67-T86 CarbonylContact O-C 3.54Å; Y67-T86 WeakPolarHBondContact O-CA 3.47Å; E69-T86 WeakPolarHBondContact O-CG2 3.35Å; V84-T86 PolarHBondContact O-N 3.43Å; T86-H88 PolarHBondContact O-N 2.85Å | ||
| 87 | I | 90.1 | Very high | 75.8 | Confident | 2 Ų | 2 | 89 Ų | 89 | 1% | 0.01 | 45% | 0.448 | C | S | . | . | trans | -62.7 | 125.8 | 176.7 | -65.2 | 168.1 | 0 | 0 | 0 | 107.9 | T36 M63 Y67 W68 D91 R92 | T36-I87 HydrophobicContact CG2-CD1 4.38Å; M63-I87 HydrophobicContact CB-CD1 4.32Å; M63-I87 HydrophobicContact CE-CG1 4.31Å; M63-I87 WeakPolarHBondContact O-CD1 3.37Å; Y67-I87 PolarHBondContact O-N 2.76Å; W68-I87 HydrophobicContact CE3-CD1 4.09Å; I87-D91 HydrophobicContact CG2-CB 3.64Å; I87-R92 HydrophobicContact CB-CG 4.27Å; I87-R92 HydrophobicContact CG2-CG 3.86Å; I87-R92 VanDerWaalsContact O-CZ 3.24Å; I87-R92 PolarHBondContact O-NE 2.93Å; I87-R92 PolarHBondContact O-NH2 2.82Å; I87-R92 VanDerWaalsContact O-NH2 3.1Å | ||
| 88 | H | 91 | Very high | 78.1 | Confident | 95 Ų | 95 | 79.9 Ų | 79.9 | 44% | 0.44 | 42% | 0.421 | S | S | . | . | trans | -59.9 | 142.3 | -179.4 | -171.5 | -91.7 | 0 | 0 | 0 | 111.8 | I33 T86 Q90 D91 R92 | I33-H88 HydrophobicContact CD1-CB 4.31Å; I33-H88 HydrophobicContact CG1-CB 4.06Å; T86-H88 PolarHBondContact O-N 2.85Å; H88-Q90 VanDerWaalsContact ND1-CB 3.32Å; H88-Q90 WeakPolarHBondContact ND1-CB 3.41Å; H88-Q90 PolarHBondContact ND1-N 3.32Å; H88-Q90 PolarHBondContact O-N 2.92Å; H88-Q90 VanDerWaalsContact O-N 3.09Å; H88-D91 WeakPolarHBondContact O-CA 3.24Å; H88-D91 WeakPolarHBondContact O-CB 3.43Å; H88-D91 PolarHBondContact O-N 3.12Å; H88-R92 PolarHBondContact O-N 2.97Å; H88-R92 VanDerWaalsContact O-N 3.11Å | ||
| 89 | E | 92.1 | Very high | 80.3 | Confident | 72 Ų | 72 | 77.7 Ų | 77.7 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.9 | -32.9 | -175.6 | -178.6 | 59.9 | -155.4 | 0 | 0 | 113.3 | D91 R92 F93 R96 R129 | E89-D91 VanDerWaalsContact C-N 3.3Å; E89-D91 PolarHBondContact O-N 3.25Å; E89-R92 PolarHBondContact O-N 3.49Å; E89-F93 WeakPolarHBondContact O-CB 3.39Å; E89-F93 PolarHBondContact O-N 2.75Å; E89-R96 IonicContact OE1-CZ 3.78Å; E89-R96 IonicContact OE1-NH2 2.96Å; E89-R96 PolarHBondContact OE1-NH2 2.81Å; E89-R129 IonicContact OE2-NH1 2.63Å; E89-R129 PolarHBondContact OE2-NH1 3.06Å |
| 90 | Q | 91.3 | Very high | 82.4 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.5 | -42.5 | 173.1 | -176 | 177.9 | -4.2 | 0 | 0 | 112.4 | H88 V94 | H88-Q90 VanDerWaalsContact ND1-CB 3.32Å; H88-Q90 WeakPolarHBondContact ND1-CB 3.41Å; H88-Q90 PolarHBondContact ND1-N 3.32Å; H88-Q90 PolarHBondContact O-N 2.92Å; H88-Q90 VanDerWaalsContact O-N 3.09Å; Q90-V94 WeakPolarHBondContact O-CG2 3.49Å; Q90-V94 PolarHBondContact O-N 3.38Å |
| 91 | D | 94.2 | Very high | 84.5 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.6 | -40.4 | 177.8 | -73.7 | -4.1 | 0 | 0 | 0 | 110.2 | G34 P37 I87 H88 E89 F93 V94 I95 | G34-D91 WeakPolarHBondContact CA-OD1 3.37Å; G34-D91 VanDerWaalsContact N-CG 3.27Å; G34-D91 PolarHBondContact N-OD1 3.45Å; G34-D91 PolarHBondContact N-OD2 3.13Å; P37-D91 HydrophobicContact CG-CB 3.83Å; I87-D91 HydrophobicContact CG2-CB 3.64Å; H88-D91 WeakPolarHBondContact O-CA 3.24Å; H88-D91 WeakPolarHBondContact O-CB 3.43Å; H88-D91 PolarHBondContact O-N 3.12Å; E89-D91 VanDerWaalsContact C-N 3.3Å; E89-D91 PolarHBondContact O-N 3.25Å; D91-F93 VanDerWaalsContact C-N 3.3Å; D91-F93 PolarHBondContact O-N 3.1Å; D91-V94 PolarHBondContact O-N 3.38Å; D91-I95 VanDerWaalsContact O-CG1 3.3Å; D91-I95 WeakPolarHBondContact O-CG1 3.28Å; D91-I95 PolarHBondContact O-N 2.9Å |
| 92 | R | 94.5 | Very high | 86.9 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 175.9 | -62.7 | -172.6 | -168.7 | 167.8 | 5 | 112.2 | W68 E70 I87 H88 E89 I95 R96 R129 | W68-R92 HydrophobicContact CD2-CG 4.26Å; W68-R92 HydrophobicContact CE3-CG 4.14Å; W68-R92 HydrophobicContact CH2-CB 3.6Å; W68-R92 HydrophobicContact CH2-CG 3.81Å; W68-R92 HydrophobicContact CZ2-CB 3.69Å; W68-R92 HydrophobicContact CZ2-CG 3.88Å; W68-R92 HydrophobicContact CZ3-CB 4.18Å; W68-R92 HydrophobicContact CZ3-CG 3.93Å; W68-R92 PolarHBondContact O-NH1 2.99Å; W68-R92 PolarHBondContact O-NH2 2.7Å; E70-R92 IonicContact OE1-CZ 2.88Å; E70-R92 IonicContact OE1-NH1 3.95Å; E70-R92 PolarHBondContact OE1-NH1 2.98Å; E70-R92 IonicContact OE1-NH2 3.24Å; E70-R92 PolarHBondContact OE1-NH2 2.87Å; I87-R92 HydrophobicContact CB-CG 4.27Å; I87-R92 HydrophobicContact CG2-CG 3.86Å; I87-R92 VanDerWaalsContact O-CZ 3.24Å; I87-R92 PolarHBondContact O-NE 2.93Å; I87-R92 PolarHBondContact O-NH2 2.82Å; I87-R92 VanDerWaalsContact O-NH2 3.1Å; H88-R92 PolarHBondContact O-N 2.97Å; H88-R92 VanDerWaalsContact O-N 3.11Å; E89-R92 PolarHBondContact O-N 3.49Å; R92-I95 PolarHBondContact O-N 3.43Å; R92-R96 WeakPolarHBondContact O-CB 3.44Å; R92-R96 WeakPolarHBondContact O-CG 3.24Å; R92-R96 PolarHBondContact O-N 3.26Å; R92-R96 PolarHBondContact O-NE 3.04Å; R92-R129 VanDerWaalsContact NH1-NH1 3.15Å |
| 93 | F | 93.5 | Very high | 89 | Confident | 111 Ų | 111 | 48.4 Ų | 48.4 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 174.5 | 179.9 | -95.9 | 0 | 0 | 0 | 111.6 | E89 D91 I95 R96 E97 | E89-F93 WeakPolarHBondContact O-CB 3.39Å; E89-F93 PolarHBondContact O-N 2.75Å; D91-F93 VanDerWaalsContact C-N 3.3Å; D91-F93 PolarHBondContact O-N 3.1Å; F93-I95 VanDerWaalsContact C-N 3.32Å; F93-I95 PolarHBondContact O-N 2.86Å; F93-R96 PolarHBondContact O-N 3.1Å; F93-E97 HydrophobicContact CD1-CG 4.36Å; F93-E97 HydrophobicContact CE1-CG 3.89Å; F93-E97 HydrophobicContact CE2-CG 4.07Å; F93-E97 HydrophobicContact CZ-CG 3.72Å; F93-E97 WeakPolarHBondContact O-CG 3.49Å; F93-E97 PolarHBondContact O-N 2.92Å |
| 94 | V | 93.6 | Very high | 90.6 | Very high | 70 Ų | 70 | 42.8 Ų | 42.8 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 178.9 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | P37 Q90 D91 G98 | P37-V94 HydrophobicContact CB-CB 4.5Å; P37-V94 HydrophobicContact CB-CG1 3.91Å; P37-V94 HydrophobicContact CG-CB 4.2Å; P37-V94 HydrophobicContact CG-CG1 4.15Å; Q90-V94 WeakPolarHBondContact O-CG2 3.49Å; Q90-V94 PolarHBondContact O-N 3.38Å; D91-V94 PolarHBondContact O-N 3.38Å; V94-G98 PolarHBondContact O-N 3.19Å; V94-G98 VanDerWaalsContact O-N 3.09Å |
| 95 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -47 | 176.6 | -64.8 | -62.5 | 0 | 0 | 0 | 110.6 | T36 P37 L40 I64 W68 D91 R92 F93 E97 G98 I99 I121 | T36-I95 HydrophobicContact CG2-CD1 4.04Å; T36-I95 HydrophobicContact CG2-CG1 4.2Å; P37-I95 HydrophobicContact CG-CD1 4.49Å; L40-I95 HydrophobicContact CB-CD1 3.86Å; L40-I95 HydrophobicContact CD2-CD1 3.63Å; L40-I95 HydrophobicContact CG-CD1 4.36Å; I64-I95 HydrophobicContact CD1-CG2 4.28Å; W68-I95 HydrophobicContact CH2-CB 4.05Å; W68-I95 HydrophobicContact CH2-CG2 4Å; W68-I95 HydrophobicContact CZ3-CB 4.14Å; W68-I95 HydrophobicContact CZ3-CG2 3.98Å; D91-I95 VanDerWaalsContact O-CG1 3.3Å; D91-I95 WeakPolarHBondContact O-CG1 3.28Å; D91-I95 PolarHBondContact O-N 2.9Å; R92-I95 PolarHBondContact O-N 3.43Å; F93-I95 VanDerWaalsContact C-N 3.32Å; F93-I95 PolarHBondContact O-N 2.86Å; I95-E97 PolarHBondContact O-N 3.35Å; I95-G98 PolarHBondContact O-N 3.49Å; I95-I99 HydrophobicContact CG2-CB 4.47Å; I95-I99 HydrophobicContact CG2-CD1 4.21Å; I95-I99 WeakPolarHBondContact O-CB 3.46Å; I95-I99 WeakPolarHBondContact O-CG2 3.36Å; I95-I99 PolarHBondContact O-N 3.47Å; I95-I121 HydrophobicContact CG2-CD1 3.85Å |
| 96 | R | 94.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 178.2 | -78.9 | 179.5 | -68.2 | 171 | 5.5 | 113 | W68 E89 R92 F93 G98 I121 D125 R129 W130 | W68-R96 HydrophobicContact CH2-CG 4.34Å; W68-R96 HydrophobicContact CZ2-CG 4.16Å; E89-R96 IonicContact OE1-CZ 3.78Å; E89-R96 IonicContact OE1-NH2 2.96Å; E89-R96 PolarHBondContact OE1-NH2 2.81Å; R92-R96 WeakPolarHBondContact O-CB 3.44Å; R92-R96 WeakPolarHBondContact O-CG 3.24Å; R92-R96 PolarHBondContact O-N 3.26Å; R92-R96 PolarHBondContact O-NE 3.04Å; F93-R96 PolarHBondContact O-N 3.1Å; R96-G98 VanDerWaalsContact C-N 3.33Å; R96-G98 PolarHBondContact O-N 2.93Å; R96-I121 HydrophobicContact CG-CG2 3.88Å; R96-D125 VanDerWaalsContact CD-OD2 3.31Å; R96-D125 WeakPolarHBondContact CD-OD2 3.4Å; R96-D125 IonicContact CZ-OD2 3.34Å; R96-D125 IonicContact NE-OD2 3.57Å; R96-D125 IonicContact NH1-OD2 3.93Å; R96-R129 VanDerWaalsContact NH1-CB 3.32Å; R96-R129 PolarHBondContact NH1-O 2.9Å; R96-W130 HydrophobicContact CB-CD2 4.31Å; R96-W130 HydrophobicContact CB-CZ2 4.21Å; R96-W130 HydrophobicContact CG-CD2 3.97Å; R96-W130 HydrophobicContact CG-CE3 4.2Å; R96-W130 HydrophobicContact CG-CG 4.31Å; R96-W130 HydrophobicContact CG-CZ2 4.44Å; R96-W130 VanDerWaalsContact O-CZ2 3.31Å; R96-W130 WeakPolarHBondContact O-CZ2 3.48Å |
| 97 | E | 91.1 | Very high | 91.8 | Very high | 113 Ų | 113 | 43.8 Ų | 43.8 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.2 | -32.9 | 179.4 | -68.7 | -60.1 | 114.9 | 0 | 0 | 112.4 | F93 I95 | F93-E97 HydrophobicContact CD1-CG 4.36Å; F93-E97 HydrophobicContact CE1-CG 3.89Å; F93-E97 HydrophobicContact CE2-CG 4.07Å; F93-E97 HydrophobicContact CZ-CG 3.72Å; F93-E97 WeakPolarHBondContact O-CG 3.49Å; F93-E97 PolarHBondContact O-N 2.92Å; I95-E97 PolarHBondContact O-N 3.35Å |
| 98 | G | 90.5 | Very high | 91.6 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -93.7 | -23.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116 | V94 I95 R96 I100 D101 A102 | V94-G98 PolarHBondContact O-N 3.19Å; V94-G98 VanDerWaalsContact O-N 3.09Å; I95-G98 PolarHBondContact O-N 3.49Å; R96-G98 VanDerWaalsContact C-N 3.33Å; R96-G98 PolarHBondContact O-N 2.93Å; G98-I100 PolarHBondContact O-N 2.91Å; G98-D101 PolarHBondContact O-N 3.44Å; G98-A102 WeakPolarHBondContact O-CB 3.47Å; G98-A102 PolarHBondContact O-N 3.25Å |
| 99 | I | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.8 | -31.5 | -164.6 | -162.9 | 164.4 | 0 | 0 | 0 | 113.9 | I95 A102 I103 C117 V118 I121 W130 | I95-I99 HydrophobicContact CG2-CB 4.47Å; I95-I99 HydrophobicContact CG2-CD1 4.21Å; I95-I99 WeakPolarHBondContact O-CB 3.46Å; I95-I99 WeakPolarHBondContact O-CG2 3.36Å; I95-I99 PolarHBondContact O-N 3.47Å; I99-A102 WeakPolarHBondContact O-CB 3.48Å; I99-A102 PolarHBondContact O-N 3.48Å; I99-I103 WeakPolarHBondContact O-CG1 3.38Å; I99-I103 PolarHBondContact O-N 3.37Å; I99-C117 HydrophobicContact CD1-CB 3.84Å; I99-V118 HydrophobicContact CB-CG2 4.24Å; I99-V118 HydrophobicContact CD1-CG2 3.5Å; I99-V118 HydrophobicContact CG1-CG2 3.59Å; I99-V118 HydrophobicContact CG2-CG2 3.68Å; I99-I121 HydrophobicContact CD1-CD1 3.86Å; I99-W130 HydrophobicContact CG2-CH2 3.84Å; I99-W130 HydrophobicContact CG2-CZ2 4.33Å |
| 100 | I | 91.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -46.9 | 176.9 | -61 | -179.4 | 0 | 0 | 0 | 110.1 | G98 A102 I103 I104 W130 V133 K136 V155 | G98-I100 PolarHBondContact O-N 2.91Å; I100-A102 PolarHBondContact O-N 3.43Å; I100-I103 WeakPolarHBondContact O-CB 3.39Å; I100-I103 PolarHBondContact O-N 3.42Å; I100-I103 VanDerWaalsContact O-N 3.17Å; I100-I104 HydrophobicContact CG2-CD1 4.17Å; I100-I104 WeakPolarHBondContact O-CG1 3.36Å; I100-I104 PolarHBondContact O-N 3.38Å; I100-I104 VanDerWaalsContact O-N 3.09Å; I100-W130 HydrophobicContact CD1-CH2 4.43Å; I100-W130 HydrophobicContact CD1-CZ2 4Å; I100-W130 HydrophobicContact CG1-CH2 4.43Å; I100-W130 HydrophobicContact CG1-CZ2 4.28Å; I100-V133 HydrophobicContact CD1-CG2 4.08Å; I100-K136 HydrophobicContact CD1-CB 4.29Å; I100-K136 HydrophobicContact CD1-CG 3.87Å; I100-K136 HydrophobicContact CG2-CG 4.38Å; I100-V155 HydrophobicContact CD1-CG1 4.31Å; I100-V155 HydrophobicContact CG1-CG1 4.46Å; I100-V155 HydrophobicContact CG1-CG2 4.07Å; I100-V155 HydrophobicContact CG2-CG2 4.38Å |
| 101 | D | 89.5 | Confident | 91.4 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64 | -34.7 | 176.2 | -65.4 | -28.3 | 0 | 0 | 0 | 110.7 | G98 I103 I104 Q105 K136 | G98-D101 PolarHBondContact O-N 3.44Å; D101-I103 PolarHBondContact O-N 2.66Å; D101-I104 PolarHBondContact O-N 2.95Å; D101-Q105 WeakPolarHBondContact O-CG 3.41Å; D101-Q105 PolarHBondContact O-N 3.32Å; D101-Q105 VanDerWaalsContact O-N 3.07Å; D101-K136 IonicContact OD1-NZ 3.43Å; D101-K136 PolarHBondContact OD1-NZ 3.36Å; D101-K136 IonicContact OD2-NZ 2.64Å |
| 102 | A | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L40 L44 G98 I99 I100 Q105 S106 L114 | L40-A102 HydrophobicContact CD1-CB 4.03Å; L44-A102 HydrophobicContact CD1-CB 3.78Å; L44-A102 HydrophobicContact CD2-CB 3.79Å; L44-A102 HydrophobicContact CG-CB 4.19Å; G98-A102 WeakPolarHBondContact O-CB 3.47Å; G98-A102 PolarHBondContact O-N 3.25Å; I99-A102 WeakPolarHBondContact O-CB 3.48Å; I99-A102 PolarHBondContact O-N 3.48Å; I100-A102 PolarHBondContact O-N 3.43Å; A102-Q105 PolarHBondContact O-N 3.05Å; A102-S106 WeakPolarHBondContact O-CB 3.37Å; A102-S106 PolarHBondContact O-N 3.47Å; A102-S106 PolarHBondContact O-OG 3Å; A102-L114 HydrophobicContact CB-CD1 3.85Å |
| 103 | I | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.4 | -71.2 | 169.6 | 0 | 0 | 0 | 110.8 | I99 I100 D101 Q105 R111 L114 V118 L154 V155 | I99-I103 WeakPolarHBondContact O-CG1 3.38Å; I99-I103 PolarHBondContact O-N 3.37Å; I100-I103 WeakPolarHBondContact O-CB 3.39Å; I100-I103 PolarHBondContact O-N 3.42Å; I100-I103 VanDerWaalsContact O-N 3.17Å; D101-I103 PolarHBondContact O-N 2.66Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.31Å; I103-R111 HydrophobicContact CB-CG 4.34Å; I103-R111 HydrophobicContact CG2-CG 3.58Å; I103-R111 WeakPolarHBondContact O-CG 3.27Å; I103-R111 PolarHBondContact O-NE 3.19Å; I103-L114 HydrophobicContact CD1-CB 4.29Å; I103-L114 HydrophobicContact CG1-CB 3.57Å; I103-L114 HydrophobicContact CG1-CD1 4.23Å; I103-V118 HydrophobicContact CD1-CB 4.29Å; I103-V118 HydrophobicContact CD1-CG2 3.54Å; I103-L154 HydrophobicContact CG2-CD1 4.23Å; I103-V155 HydrophobicContact CD1-CG2 3.76Å |
| 104 | I | 89.6 | Confident | 91.3 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | -179.5 | -67.8 | 167 | 0 | 0 | 0 | 111.3 | I100 D101 K147 Q148 | I100-I104 HydrophobicContact CG2-CD1 4.17Å; I100-I104 WeakPolarHBondContact O-CG1 3.36Å; I100-I104 PolarHBondContact O-N 3.38Å; I100-I104 VanDerWaalsContact O-N 3.09Å; D101-I104 PolarHBondContact O-N 2.95Å; I104-K147 HydrophobicContact CG2-CB 4.26Å; I104-Q148 HydrophobicContact CD1-CG 4.47Å; I104-Q148 HydrophobicContact CG2-CG 4.29Å |
| 105 | Q | 88.3 | Confident | 91.3 | Very high | 137 Ų | 137 | 38.9 Ų | 38.9 | 64% | 0.64 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -86 | -20.8 | -174.7 | -64.8 | 171.9 | 23.2 | 0 | 0 | 113.8 | D101 A102 I103 | D101-Q105 WeakPolarHBondContact O-CG 3.41Å; D101-Q105 PolarHBondContact O-N 3.32Å; D101-Q105 VanDerWaalsContact O-N 3.07Å; A102-Q105 PolarHBondContact O-N 3.05Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.31Å |
| 106 | S | 90.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -79.5 | 151.9 | -172.8 | -69 | 0 | 0 | 0 | 0 | 113.8 | A102 I110 R111 | A102-S106 WeakPolarHBondContact O-CB 3.37Å; A102-S106 PolarHBondContact O-N 3.47Å; A102-S106 PolarHBondContact O-OG 3Å; S106-I110 WeakPolarHBondContact OG-CG2 3.5Å; S106-R111 PolarHBondContact O-NE 3.42Å; S106-R111 VanDerWaalsContact O-NE 3.13Å; S106-R111 PolarHBondContact O-NH2 2.96Å |
| 107 | P | 87.9 | Confident | 91.3 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | trans | -69.7 | 164.8 | 168.5 | 31.1 | -35.9 | 0 | 0 | 0 | 112.1 | V109 I110 R111 | P107-V109 PolarHBondContact O-N 3Å; P107-I110 HydrophobicContact CG-CB 4.22Å; P107-I110 HydrophobicContact CG-CD1 3.89Å; P107-I110 HydrophobicContact CG-CG1 4.14Å; P107-I110 PolarHBondContact O-N 3.38Å; P107-R111 WeakPolarHBondContact O-CB 3.26Å; P107-R111 PolarHBondContact O-N 3.27Å | ||
| 108 | E | 84.6 | Confident | 91.5 | Very high | 117 Ų | 117 | 36.1 Ų | 36.1 | 55% | 0.547 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -52.2 | -45 | -171.3 | -176.7 | 172.2 | -172.4 | 0 | 0 | 114.6 | R111 T112 | E108-R111 PolarHBondContact O-N 3.32Å; E108-T112 PolarHBondContact O-N 3.31Å; E108-T112 PolarHBondContact O-OG1 3.08Å |
| 109 | V | 87.5 | Confident | 91.7 | Very high | 87 Ų | 87 | 38.6 Ų | 38.6 | 53% | 0.527 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -50.2 | -178.6 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | P107 | P107-V109 PolarHBondContact O-N 3Å |
| 110 | I | 92.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 177.6 | -67.8 | 177.7 | 0 | 0 | 0 | 110.4 | V43 R53 V57 S106 P107 T112 Q113 L114 | V43-I110 HydrophobicContact CG1-CD1 4.46Å; V43-I110 HydrophobicContact CG1-CG2 3.4Å; R53-I110 HydrophobicContact CB-CD1 3.91Å; V57-I110 HydrophobicContact CB-CG2 4.35Å; V57-I110 HydrophobicContact CG1-CG1 4.43Å; V57-I110 HydrophobicContact CG2-CG2 4.12Å; S106-I110 WeakPolarHBondContact OG-CG2 3.5Å; P107-I110 HydrophobicContact CG-CB 4.22Å; P107-I110 HydrophobicContact CG-CD1 3.89Å; P107-I110 HydrophobicContact CG-CG1 4.14Å; P107-I110 PolarHBondContact O-N 3.38Å; I110-T112 VanDerWaalsContact C-N 3.29Å; I110-T112 PolarHBondContact O-N 2.93Å; I110-Q113 PolarHBondContact O-N 3.46Å; I110-Q113 VanDerWaalsContact O-N 3.11Å; I110-L114 HydrophobicContact CG2-CD1 3.92Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 PolarHBondContact O-N 2.94Å |
| 111 | R | 91.9 | Very high | 92 | Very high | 44 Ų | 44 | 39 Ų | 39 | 17% | 0.166 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | -176.8 | -167.7 | -169.9 | -58.5 | 132 | -4.4 | 112.5 | I103 S106 P107 E108 Q113 L114 A115 L154 | I103-R111 HydrophobicContact CB-CG 4.34Å; I103-R111 HydrophobicContact CG2-CG 3.58Å; I103-R111 WeakPolarHBondContact O-CG 3.27Å; I103-R111 PolarHBondContact O-NE 3.19Å; S106-R111 PolarHBondContact O-NE 3.42Å; S106-R111 VanDerWaalsContact O-NE 3.13Å; S106-R111 PolarHBondContact O-NH2 2.96Å; P107-R111 WeakPolarHBondContact O-CB 3.26Å; P107-R111 PolarHBondContact O-N 3.27Å; E108-R111 PolarHBondContact O-N 3.32Å; R111-Q113 VanDerWaalsContact C-N 3.33Å; R111-L114 PolarHBondContact O-N 3.49Å; R111-A115 WeakPolarHBondContact O-CB 3.26Å; R111-A115 PolarHBondContact O-N 3.43Å; R111-L154 VanDerWaalsContact CD-CD1 3.46Å; R111-L154 HydrophobicContact CG-CD1 3.83Å |
| 112 | T | 90 | Very high | 92.2 | Very high | 83 Ų | 83 | 36.4 Ų | 36.4 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | E108 I110 A115 E116 | E108-T112 PolarHBondContact O-N 3.31Å; E108-T112 PolarHBondContact O-OG1 3.08Å; I110-T112 VanDerWaalsContact C-N 3.29Å; I110-T112 PolarHBondContact O-N 2.93Å; T112-A115 PolarHBondContact O-N 3.02Å; T112-E116 PolarHBondContact O-N 3.42Å |
| 113 | Q | 94.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -41 | 176 | -57.3 | -58.7 | -44 | 0 | 0 | 112 | V57 I58 I110 R111 A115 E116 C117 | V57-Q113 HydrophobicContact CB-CB 4.43Å; V57-Q113 HydrophobicContact CG1-CB 3.93Å; V57-Q113 HydrophobicContact CG1-CG 3.98Å; V57-Q113 HydrophobicContact CG2-CB 3.64Å; I58-Q113 HydrophobicContact CD1-CG 4.07Å; I110-Q113 PolarHBondContact O-N 3.46Å; I110-Q113 VanDerWaalsContact O-N 3.11Å; R111-Q113 VanDerWaalsContact C-N 3.33Å; Q113-A115 VanDerWaalsContact C-N 3.33Å; Q113-A115 PolarHBondContact O-N 3.05Å; Q113-E116 PolarHBondContact O-N 3.42Å; Q113-C117 PolarHBondContact O-N 3.46Å; Q113-C117 VanDerWaalsContact O-N 3.09Å; Q113-C117 PolarHBondContact O-SG 3.39Å |
| 114 | L | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 175.2 | -68.8 | 176.9 | 0 | 0 | 0 | 112.6 | L40 V57 A102 I103 I110 R111 E116 C117 V118 | L40-L114 HydrophobicContact CD1-CD2 3.92Å; V57-L114 HydrophobicContact CG2-CD2 3.77Å; V57-L114 HydrophobicContact CG2-CG 3.9Å; A102-L114 HydrophobicContact CB-CD1 3.85Å; I103-L114 HydrophobicContact CD1-CB 4.29Å; I103-L114 HydrophobicContact CG1-CB 3.57Å; I103-L114 HydrophobicContact CG1-CD1 4.23Å; I110-L114 HydrophobicContact CG2-CD1 3.92Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 PolarHBondContact O-N 2.94Å; R111-L114 PolarHBondContact O-N 3.49Å; L114-E116 VanDerWaalsContact C-N 3.31Å; L114-C117 WeakPolarHBondContact O-CB 3.26Å; L114-C117 PolarHBondContact O-N 3.33Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 3.06Å |
| 115 | A | 93.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R111 T112 Q113 V118 R119 Q158 | R111-A115 WeakPolarHBondContact O-CB 3.26Å; R111-A115 PolarHBondContact O-N 3.43Å; T112-A115 PolarHBondContact O-N 3.02Å; Q113-A115 VanDerWaalsContact C-N 3.33Å; Q113-A115 PolarHBondContact O-N 3.05Å; A115-V118 PolarHBondContact O-N 3.12Å; A115-R119 PolarHBondContact O-N 3.16Å; A115-Q158 HydrophobicContact CB-CG 4.15Å; A115-Q158 WeakPolarHBondContact O-CG 3.4Å |
| 116 | E | 93.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 39.2 Ų | 39.2 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 174.2 | -163.1 | 59.2 | -151 | 0 | 0 | 111.7 | T112 Q113 L114 V118 R119 T120 | T112-E116 PolarHBondContact O-N 3.42Å; Q113-E116 PolarHBondContact O-N 3.42Å; L114-E116 VanDerWaalsContact C-N 3.31Å; E116-V118 VanDerWaalsContact C-N 3.32Å; E116-V118 PolarHBondContact O-N 3.18Å; E116-R119 VanDerWaalsContact O-CB 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.35Å; E116-R119 PolarHBondContact O-N 2.91Å; E116-R119 VanDerWaalsContact O-N 3.14Å; E116-R119 IonicContact OE1-NH1 3.2Å; E116-T120 PolarHBondContact O-N 3.38Å; E116-T120 PolarHBondContact O-OG1 3.18Å |
| 117 | C | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.2 | -46.8 | 173.2 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | K61 I64 I99 Q113 L114 R119 T120 I121 | K61-C117 WeakPolarHBondContact CA-SG 3.43Å; I64-C117 HydrophobicContact CD1-CB 3.65Å; I99-C117 HydrophobicContact CD1-CB 3.84Å; Q113-C117 PolarHBondContact O-N 3.46Å; Q113-C117 VanDerWaalsContact O-N 3.09Å; Q113-C117 PolarHBondContact O-SG 3.39Å; L114-C117 WeakPolarHBondContact O-CB 3.26Å; L114-C117 PolarHBondContact O-N 3.33Å; C117-R119 VanDerWaalsContact C-N 3.29Å; C117-R119 PolarHBondContact O-N 2.99Å; C117-T120 PolarHBondContact O-N 3.13Å; C117-I121 VanDerWaalsContact O-CG1 3.32Å; C117-I121 WeakPolarHBondContact O-CG1 3.25Å; C117-I121 PolarHBondContact O-N 3.13Å; C117-I121 VanDerWaalsContact O-N 3.09Å |
| 118 | V | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -36.8 | 177.4 | 163.5 | 0 | 0 | 0 | 0 | 111.7 | I99 I103 L114 A115 E116 T120 I121 L122 V155 | I99-V118 HydrophobicContact CB-CG2 4.24Å; I99-V118 HydrophobicContact CD1-CG2 3.5Å; I99-V118 HydrophobicContact CG1-CG2 3.59Å; I99-V118 HydrophobicContact CG2-CG2 3.68Å; I103-V118 HydrophobicContact CD1-CB 4.29Å; I103-V118 HydrophobicContact CD1-CG2 3.54Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 3.06Å; A115-V118 PolarHBondContact O-N 3.12Å; E116-V118 VanDerWaalsContact C-N 3.32Å; E116-V118 PolarHBondContact O-N 3.18Å; V118-T120 PolarHBondContact O-N 3.33Å; V118-I121 PolarHBondContact O-N 3.19Å; V118-L122 HydrophobicContact CG1-CD1 3.42Å; V118-L122 VanDerWaalsContact CG1-CD1 3.42Å; V118-L122 HydrophobicContact CG1-CG 3.9Å; V118-L122 VanDerWaalsContact O-CB 3.31Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 2.97Å; V118-V155 HydrophobicContact CG1-CB 4.4Å; V118-V155 HydrophobicContact CG1-CG1 3.94Å; V118-V155 HydrophobicContact CG1-CG2 4.26Å |
| 119 | R | 95 | Very high | 92.7 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.2 | -48 | 176.3 | -170.4 | -175.4 | 176 | -166.6 | -2.2 | 111.5 | A115 E116 C117 L122 R123 Q158 N162 | A115-R119 PolarHBondContact O-N 3.16Å; E116-R119 VanDerWaalsContact O-CB 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.35Å; E116-R119 PolarHBondContact O-N 2.91Å; E116-R119 VanDerWaalsContact O-N 3.14Å; E116-R119 IonicContact OE1-NH1 3.2Å; C117-R119 VanDerWaalsContact C-N 3.29Å; C117-R119 PolarHBondContact O-N 2.99Å; R119-L122 PolarHBondContact O-N 3.41Å; R119-R123 PolarHBondContact O-N 3.4Å; R119-Q158 HydrophobicContact CB-CB 3.94Å; R119-Q158 HydrophobicContact CB-CG 4.32Å; R119-Q158 HydrophobicContact CG-CB 4.3Å; R119-N162 WeakPolarHBondContact CG-OD1 3.25Å; R119-N162 PolarHBondContact NE-OD1 3.26Å; R119-N162 PolarHBondContact O-ND2 3.29Å |
| 120 | T | 94.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | I64 N65 E116 C117 V118 L122 R123 L124 | I64-T120 HydrophobicContact CG2-CG2 4.02Å; N65-T120 PolarHBondContact OD1-OG1 2.96Å; E116-T120 PolarHBondContact O-N 3.38Å; E116-T120 PolarHBondContact O-OG1 3.18Å; C117-T120 PolarHBondContact O-N 3.13Å; V118-T120 PolarHBondContact O-N 3.33Å; T120-L122 PolarHBondContact O-N 3.46Å; T120-R123 WeakPolarHBondContact O-CB 3.35Å; T120-R123 PolarHBondContact O-N 2.81Å; T120-L124 HydrophobicContact CG2-CD1 4.26Å; T120-L124 PolarHBondContact O-N 3.24Å |
| 121 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 178.7 | -61.8 | 168 | 0 | 0 | 0 | 110.8 | I64 W68 I95 R96 I99 C117 V118 R123 L124 D125 W130 | I64-I121 HydrophobicContact CD1-CD1 4.17Å; I64-I121 HydrophobicContact CG2-CG1 3.96Å; W68-I121 HydrophobicContact CD2-CG1 4.03Å; W68-I121 HydrophobicContact CE3-CG1 4.2Å; W68-I121 HydrophobicContact CH2-CD1 3.81Å; W68-I121 HydrophobicContact CH2-CG1 3.88Å; W68-I121 HydrophobicContact CH2-CG2 4.33Å; W68-I121 HydrophobicContact CZ2-CB 4.26Å; W68-I121 HydrophobicContact CZ2-CD1 4.13Å; W68-I121 HydrophobicContact CZ2-CG1 3.74Å; W68-I121 HydrophobicContact CZ2-CG2 3.64Å; W68-I121 HydrophobicContact CZ3-CD1 4.08Å; W68-I121 HydrophobicContact CZ3-CG1 4.12Å; I95-I121 HydrophobicContact CG2-CD1 3.85Å; R96-I121 HydrophobicContact CG-CG2 3.88Å; I99-I121 HydrophobicContact CD1-CD1 3.86Å; C117-I121 VanDerWaalsContact O-CG1 3.32Å; C117-I121 WeakPolarHBondContact O-CG1 3.25Å; C117-I121 PolarHBondContact O-N 3.13Å; C117-I121 VanDerWaalsContact O-N 3.09Å; V118-I121 PolarHBondContact O-N 3.19Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 2.91Å; I121-L124 PolarHBondContact O-N 3.32Å; I121-D125 HydrophobicContact CG2-CB 4.33Å; I121-D125 VanDerWaalsContact O-CB 3.28Å; I121-D125 WeakPolarHBondContact O-CB 3.39Å; I121-D125 PolarHBondContact O-N 2.87Å; I121-W130 HydrophobicContact CB-CZ3 4.2Å; I121-W130 HydrophobicContact CG2-CE3 3.59Å; I121-W130 HydrophobicContact CG2-CZ3 3.55Å |
| 122 | L | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -31.6 | 178.7 | -72 | 168.8 | 0 | 0 | 0 | 112.6 | V118 R119 T120 L124 F126 W130 V133 V155 Q158 L159 | V118-L122 HydrophobicContact CG1-CD1 3.42Å; V118-L122 VanDerWaalsContact CG1-CD1 3.42Å; V118-L122 HydrophobicContact CG1-CG 3.9Å; V118-L122 VanDerWaalsContact O-CB 3.31Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 2.97Å; R119-L122 PolarHBondContact O-N 3.41Å; T120-L122 PolarHBondContact O-N 3.46Å; L122-L124 VanDerWaalsContact C-N 3.31Å; L122-F126 HydrophobicContact CD2-CB 4.29Å; L122-F126 WeakPolarHBondContact O-CB 3.45Å; L122-F126 PolarHBondContact O-N 2.7Å; L122-W130 HydrophobicContact CD2-CE3 3.77Å; L122-W130 HydrophobicContact CD2-CZ3 3.72Å; L122-W130 HydrophobicContact CG-CE3 4.4Å; L122-W130 HydrophobicContact CG-CZ3 4.01Å; L122-V133 HydrophobicContact CD2-CG1 4.21Å; L122-V133 HydrophobicContact CD2-CG2 4Å; L122-V155 HydrophobicContact CD1-CG1 4.43Å; L122-Q158 HydrophobicContact CD1-CB 4.31Å; L122-L159 HydrophobicContact CB-CD1 4.26Å; L122-L159 HydrophobicContact CD1-CB 3.78Å; L122-L159 HydrophobicContact CD1-CD1 4.41Å; L122-L159 HydrophobicContact CD2-CD1 4.22Å |
| 123 | R | 93.6 | Very high | 92.7 | Very high | 149 Ų | 149 | 40.8 Ų | 40.8 | 56% | 0.562 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.9 | -40 | 178.2 | -174.2 | 178.9 | 69.6 | -175.3 | 4.7 | 111.2 | R119 T120 I121 N162 | R119-R123 PolarHBondContact O-N 3.4Å; T120-R123 WeakPolarHBondContact O-CB 3.35Å; T120-R123 PolarHBondContact O-N 2.81Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 2.91Å; R123-N162 WeakPolarHBondContact CA-ND2 3.28Å; R123-N162 PolarHBondContact N-ND2 3.41Å; R123-N162 VanDerWaalsContact N-ND2 3.11Å |
| 124 | L | 91.6 | Very high | 92.4 | Very high | 54 Ų | 54 | 38.9 Ų | 38.9 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -93.3 | -34.2 | -172.5 | -61.5 | 173.3 | 0 | 0 | 0 | 112.8 | W68 E69 T120 I121 L122 | W68-L124 HydrophobicContact CB-CD1 4.21Å; W68-L124 HydrophobicContact CG-CD1 4.24Å; E69-L124 HydrophobicContact CB-CD1 3.84Å; E69-L124 HydrophobicContact CB-CD2 4.43Å; E69-L124 HydrophobicContact CG-CD1 4.36Å; E69-L124 HydrophobicContact CG-CD2 4.04Å; T120-L124 HydrophobicContact CG2-CD1 4.26Å; T120-L124 PolarHBondContact O-N 3.24Å; I121-L124 PolarHBondContact O-N 3.32Å; L122-L124 VanDerWaalsContact C-N 3.31Å |
| 125 | D | 93.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -105.4 | -17.4 | -169.2 | -70.1 | 17.1 | 0 | 0 | 0 | 114.1 | W68 R96 I121 P127 G128 R129 W130 | W68-D125 PolarHBondContact NE1-OD1 3.46Å; W68-D125 PolarHBondContact NE1-OD2 3.06Å; R96-D125 VanDerWaalsContact CD-OD2 3.31Å; R96-D125 WeakPolarHBondContact CD-OD2 3.4Å; R96-D125 IonicContact CZ-OD2 3.34Å; R96-D125 IonicContact NE-OD2 3.57Å; R96-D125 IonicContact NH1-OD2 3.93Å; I121-D125 HydrophobicContact CG2-CB 4.33Å; I121-D125 VanDerWaalsContact O-CB 3.28Å; I121-D125 WeakPolarHBondContact O-CB 3.39Å; I121-D125 PolarHBondContact O-N 2.87Å; D125-P127 CarbonylContact O-C 3.54Å; D125-G128 CarbonylContact O-C 3.58Å; D125-G128 PolarHBondContact O-N 2.72Å; D125-G128 VanDerWaalsContact O-N 3.11Å; D125-R129 HydrophobicContact CB-CB 4.04Å; D125-R129 PolarHBondContact O-N 3.35Å; D125-W130 HydrophobicContact CB-CB 3.94Å; D125-W130 PolarHBondContact O-N 3.22Å |
| 126 | F | 92.1 | Very high | 92 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 135.2 | -179.3 | 172.9 | -88.9 | 0 | 0 | 0 | 111.9 | L122 V133 F134 L159 Y163 D173 H177 | L122-F126 HydrophobicContact CD2-CB 4.29Å; L122-F126 WeakPolarHBondContact O-CB 3.45Å; L122-F126 PolarHBondContact O-N 2.7Å; F126-V133 HydrophobicContact CD2-CG1 3.64Å; F126-V133 HydrophobicContact CE2-CG1 4.19Å; F126-F134 HydrophobicContact CE1-CE2 4.4Å; F126-F134 AromaticContact CE2-CD2 3.62Å; F126-F134 HydrophobicContact CE2-CD2 3.62Å; F126-F134 AromaticContact CE2-CE2 3.7Å; F126-F134 HydrophobicContact CE2-CE2 3.7Å; F126-F134 AromaticContact CZ-CD2 3.95Å; F126-F134 HydrophobicContact CZ-CD2 3.95Å; F126-F134 AromaticContact CZ-CE2 3.56Å; F126-F134 HydrophobicContact CZ-CE2 3.56Å; F126-L159 HydrophobicContact CD1-CD1 3.61Å; F126-L159 HydrophobicContact CE1-CD1 4.05Å; F126-L159 HydrophobicContact CG-CD1 4.04Å; F126-Y163 HydrophobicContact CD1-CE2 4.18Å; F126-Y163 WeakPolarHBondContact CD1-OH 3.41Å; F126-Y163 HydrophobicContact CE1-CE2 4.26Å; F126-D173 HydrophobicContact CE1-CB 4.45Å; F126-H177 AromaticContact CZ-CD2 3.73Å |
| 127 | P | 85.8 | Confident | 91.8 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 29% | 0.292 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -84.7 | -4.4 | -0.1 | 35.1 | -38.2 | 0 | 0 | 0 | 114.8 | D125 P131 D173 | D125-P127 CarbonylContact O-C 3.54Å; P127-P131 WeakPolarHBondContact O-CA 3.48Å; P127-D173 HydrophobicContact CG-CB 4.02Å; P127-D173 WeakPolarHBondContact CG-OD2 3.36Å |
| 128 | G | 88.6 | Confident | 91.6 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 66% | 0.66 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -81.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D125 W130 | D125-G128 CarbonylContact O-C 3.58Å; D125-G128 PolarHBondContact O-N 2.72Å; D125-G128 VanDerWaalsContact O-N 3.11Å; G128-W130 VanDerWaalsContact C-N 3.35Å |
| 129 | R | 88.9 | Confident | 91.3 | Very high | 111 Ų | 111 | 49.8 Ų | 49.8 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -22.2 | -175 | -60.9 | -171.9 | -175.4 | -168.3 | 8.3 | 112.9 | E70 E89 R92 R96 D125 P131 | E70-R129 VanDerWaalsContact CD-NH2 3.34Å; E70-R129 IonicContact OE1-CZ 3.84Å; E70-R129 IonicContact OE1-NH1 3.5Å; E70-R129 PolarHBondContact OE1-NH1 2.97Å; E70-R129 IonicContact OE1-NH2 3.06Å; E70-R129 PolarHBondContact OE1-NH2 2.99Å; E70-R129 IonicContact OE2-CZ 3.85Å; E70-R129 IonicContact OE2-NH1 3.41Å; E70-R129 IonicContact OE2-NH2 3.21Å; E70-R129 PolarHBondContact OE2-NH2 3.32Å; E89-R129 IonicContact OE2-NH1 2.63Å; E89-R129 PolarHBondContact OE2-NH1 3.06Å; R92-R129 VanDerWaalsContact NH1-NH1 3.15Å; R96-R129 VanDerWaalsContact NH1-CB 3.32Å; R96-R129 PolarHBondContact NH1-O 2.9Å; D125-R129 HydrophobicContact CB-CB 4.04Å; D125-R129 PolarHBondContact O-N 3.35Å; R129-P131 VanDerWaalsContact O-CD 3.3Å; R129-P131 WeakPolarHBondContact O-CD 3.43Å |
| 130 | W | 92.5 | Very high | 91 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 5% | 0.045 | 24% | 0.244 | C | C | . | . | trans | -120.4 | 58.9 | -178.2 | -160.5 | 15.7 | 0 | 0 | 0 | 113.7 | R96 I99 I100 I121 L122 D125 G128 H132 V133 | R96-W130 HydrophobicContact CB-CD2 4.31Å; R96-W130 HydrophobicContact CB-CZ2 4.21Å; R96-W130 HydrophobicContact CG-CD2 3.97Å; R96-W130 HydrophobicContact CG-CE3 4.2Å; R96-W130 HydrophobicContact CG-CG 4.31Å; R96-W130 HydrophobicContact CG-CZ2 4.44Å; R96-W130 VanDerWaalsContact O-CZ2 3.31Å; R96-W130 WeakPolarHBondContact O-CZ2 3.48Å; I99-W130 HydrophobicContact CG2-CH2 3.84Å; I99-W130 HydrophobicContact CG2-CZ2 4.33Å; I100-W130 HydrophobicContact CD1-CH2 4.43Å; I100-W130 HydrophobicContact CD1-CZ2 4Å; I100-W130 HydrophobicContact CG1-CH2 4.43Å; I100-W130 HydrophobicContact CG1-CZ2 4.28Å; I121-W130 HydrophobicContact CB-CZ3 4.2Å; I121-W130 HydrophobicContact CG2-CE3 3.59Å; I121-W130 HydrophobicContact CG2-CZ3 3.55Å; L122-W130 HydrophobicContact CD2-CE3 3.77Å; L122-W130 HydrophobicContact CD2-CZ3 3.72Å; L122-W130 HydrophobicContact CG-CE3 4.4Å; L122-W130 HydrophobicContact CG-CZ3 4.01Å; D125-W130 HydrophobicContact CB-CB 3.94Å; D125-W130 PolarHBondContact O-N 3.22Å; G128-W130 VanDerWaalsContact C-N 3.35Å; W130-H132 VanDerWaalsContact C-N 3.32Å; W130-H132 PolarHBondContact O-N 3.49Å; W130-V133 HydrophobicContact CD2-CB 3.88Å; W130-V133 HydrophobicContact CD2-CG2 4Å; W130-V133 HydrophobicContact CE3-CB 4.44Å; W130-V133 HydrophobicContact CE3-CG2 4.23Å; W130-V133 HydrophobicContact CG-CB 4.06Å; W130-V133 HydrophobicContact CH2-CG2 4.03Å; W130-V133 HydrophobicContact CZ2-CB 4.38Å; W130-V133 HydrophobicContact CZ2-CG2 3.78Å; W130-V133 HydrophobicContact CZ3-CG2 4.24Å; W130-V133 WeakPolarHBondContact O-CG1 3.11Å | ||
| 131 | P | 88 | Confident | 90.7 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.7 | -171.2 | 28.9 | -36.1 | 0 | 0 | 0 | 113.9 | P127 R129 | P127-P131 WeakPolarHBondContact O-CA 3.48Å; R129-P131 VanDerWaalsContact O-CD 3.3Å; R129-P131 WeakPolarHBondContact O-CD 3.43Å |
| 132 | H | 89.2 | Confident | 90.2 | Very high | 138 Ų | 138 | 48.7 Ų | 48.7 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1.5 | -174.3 | -56.4 | -48.9 | 0 | 0 | 0 | 114.2 | W130 F134 S135 K136 | W130-H132 VanDerWaalsContact C-N 3.32Å; W130-H132 PolarHBondContact O-N 3.49Å; H132-F134 VanDerWaalsContact C-N 3.28Å; H132-F134 PolarHBondContact O-N 3.42Å; H132-S135 WeakPolarHBondContact O-CB 3.45Å; H132-S135 PolarHBondContact O-N 2.93Å; H132-K136 PolarHBondContact O-N 3.42Å |
| 133 | V | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58 | -39.4 | -177 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | I100 L122 F126 W130 S135 K136 I137 V155 | I100-V133 HydrophobicContact CD1-CG2 4.08Å; L122-V133 HydrophobicContact CD2-CG1 4.21Å; L122-V133 HydrophobicContact CD2-CG2 4Å; F126-V133 HydrophobicContact CD2-CG1 3.64Å; F126-V133 HydrophobicContact CE2-CG1 4.19Å; W130-V133 HydrophobicContact CD2-CB 3.88Å; W130-V133 HydrophobicContact CD2-CG2 4Å; W130-V133 HydrophobicContact CE3-CB 4.44Å; W130-V133 HydrophobicContact CE3-CG2 4.23Å; W130-V133 HydrophobicContact CG-CB 4.06Å; W130-V133 HydrophobicContact CH2-CG2 4.03Å; W130-V133 HydrophobicContact CZ2-CB 4.38Å; W130-V133 HydrophobicContact CZ2-CG2 3.78Å; W130-V133 HydrophobicContact CZ3-CG2 4.24Å; W130-V133 WeakPolarHBondContact O-CG1 3.11Å; V133-S135 PolarHBondContact O-N 3.34Å; V133-K136 PolarHBondContact O-N 3.26Å; V133-I137 HydrophobicContact CG2-CD1 4.2Å; V133-I137 VanDerWaalsContact O-CG1 3.32Å; V133-I137 WeakPolarHBondContact O-CG1 3.17Å; V133-I137 PolarHBondContact O-N 2.62Å; V133-V155 HydrophobicContact CG2-CG1 4.45Å |
| 134 | F | 88.9 | Confident | 88.5 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 176.2 | -95.5 | -75.1 | 0 | 0 | 0 | 113 | F126 H132 K136 I137 V138 L156 L159 L174 H177 M178 V181 | F126-F134 HydrophobicContact CE1-CE2 4.4Å; F126-F134 AromaticContact CE2-CD2 3.62Å; F126-F134 HydrophobicContact CE2-CD2 3.62Å; F126-F134 AromaticContact CE2-CE2 3.7Å; F126-F134 HydrophobicContact CE2-CE2 3.7Å; F126-F134 AromaticContact CZ-CD2 3.95Å; F126-F134 HydrophobicContact CZ-CD2 3.95Å; F126-F134 AromaticContact CZ-CE2 3.56Å; F126-F134 HydrophobicContact CZ-CE2 3.56Å; H132-F134 VanDerWaalsContact C-N 3.28Å; H132-F134 PolarHBondContact O-N 3.42Å; F134-K136 VanDerWaalsContact C-N 3.3Å; F134-K136 PolarHBondContact O-N 3.13Å; F134-I137 PolarHBondContact O-N 3.2Å; F134-V138 WeakPolarHBondContact O-CB 3.26Å; F134-V138 VanDerWaalsContact O-CG2 3.28Å; F134-V138 WeakPolarHBondContact O-CG2 3.44Å; F134-V138 PolarHBondContact O-N 3.25Å; F134-L156 HydrophobicContact CE1-CD1 3.91Å; F134-L156 HydrophobicContact CZ-CD1 4.38Å; F134-L159 HydrophobicContact CD2-CD2 4.17Å; F134-L159 HydrophobicContact CE1-CD2 4.32Å; F134-L159 HydrophobicContact CE2-CD2 3.33Å; F134-L159 HydrophobicContact CZ-CD2 3.41Å; F134-L159 VanDerWaalsContact CZ-CD2 3.41Å; F134-L174 HydrophobicContact CZ-CD1 3.99Å; F134-H177 HydrophobicContact CD1-CB 3.61Å; F134-H177 HydrophobicContact CD2-CB 3.48Å; F134-H177 VanDerWaalsContact CD2-CB 3.48Å; F134-H177 AromaticContact CD2-CD2 3.53Å; F134-H177 AromaticContact CD2-CG 3.31Å; F134-H177 AromaticContact CD2-ND1 3.76Å; F134-H177 HydrophobicContact CE1-CB 3.49Å; F134-H177 VanDerWaalsContact CE1-CB 3.49Å; F134-H177 HydrophobicContact CE2-CB 3.33Å; F134-H177 AromaticContact CE2-CD2 3.6Å; F134-H177 AromaticContact CE2-CG 3.53Å; F134-H177 HydrophobicContact CG-CB 3.6Å; F134-H177 AromaticContact CG-CG 3.67Å; F134-H177 AromaticContact CG-ND1 3.83Å; F134-H177 HydrophobicContact CZ-CB 3.35Å; F134-M178 HydrophobicContact CE1-SD 4.02Å; F134-M178 HydrophobicContact CZ-SD 4.15Å; F134-V181 HydrophobicContact CD1-CG2 3.85Å; F134-V181 HydrophobicContact CE1-CG2 3.89Å |
| 135 | S | 90.2 | Very high | 87.7 | Confident | 77 Ų | 77 | 50 Ų | 50 | 54% | 0.538 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | H132 V133 V138 E139 | H132-S135 WeakPolarHBondContact O-CB 3.45Å; H132-S135 PolarHBondContact O-N 2.93Å; V133-S135 PolarHBondContact O-N 3.34Å; S135-V138 PolarHBondContact O-N 2.93Å; S135-E139 WeakPolarHBondContact O-CB 3.45Å; S135-E139 PolarHBondContact O-N 3.32Å |
| 136 | K | 89.9 | Confident | 86.8 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 27% | 0.274 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 176.6 | -174.8 | 66.7 | 175.2 | -170.7 | 0 | 112.1 | I100 D101 H132 V133 F134 E139 C140 | I100-K136 HydrophobicContact CD1-CB 4.29Å; I100-K136 HydrophobicContact CD1-CG 3.87Å; I100-K136 HydrophobicContact CG2-CG 4.38Å; D101-K136 IonicContact OD1-NZ 3.43Å; D101-K136 PolarHBondContact OD1-NZ 3.36Å; D101-K136 IonicContact OD2-NZ 2.64Å; H132-K136 PolarHBondContact O-N 3.42Å; V133-K136 PolarHBondContact O-N 3.26Å; F134-K136 VanDerWaalsContact C-N 3.3Å; F134-K136 PolarHBondContact O-N 3.13Å; K136-E139 PolarHBondContact O-N 3.3Å; K136-C140 PolarHBondContact O-N 3.15Å; K136-C140 PolarHBondContact O-SG 3.04Å; K136-C140 VanDerWaalsContact O-SG 3.34Å |
| 137 | I | 91.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.1 | -67.7 | 166.5 | 0 | 0 | 0 | 110.5 | V133 F134 C140 I141 A152 V155 L156 | V133-I137 HydrophobicContact CG2-CD1 4.2Å; V133-I137 VanDerWaalsContact O-CG1 3.32Å; V133-I137 WeakPolarHBondContact O-CG1 3.17Å; V133-I137 PolarHBondContact O-N 2.62Å; F134-I137 PolarHBondContact O-N 3.2Å; I137-C140 PolarHBondContact O-N 3.22Å; I137-I141 HydrophobicContact CG2-CD1 3.61Å; I137-I141 HydrophobicContact CG2-CG1 4.4Å; I137-I141 WeakPolarHBondContact O-CB 3.5Å; I137-I141 VanDerWaalsContact O-CG1 3.27Å; I137-I141 WeakPolarHBondContact O-CG1 3.17Å; I137-I141 PolarHBondContact O-N 2.93Å; I137-A152 HydrophobicContact CG2-CB 4.46Å; I137-V155 HydrophobicContact CD1-CG1 3.81Å; I137-V155 HydrophobicContact CG1-CG1 4.04Å; I137-L156 HydrophobicContact CD1-CD1 4.44Å; I137-L156 HydrophobicContact CG2-CB 4.28Å; I137-L156 HydrophobicContact CG2-CD1 4.48Å |
| 138 | V | 90.6 | Very high | 86 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | -179.9 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | F134 S135 I141 S142 V181 L184 | F134-V138 WeakPolarHBondContact O-CB 3.26Å; F134-V138 VanDerWaalsContact O-CG2 3.28Å; F134-V138 WeakPolarHBondContact O-CG2 3.44Å; F134-V138 PolarHBondContact O-N 3.25Å; S135-V138 PolarHBondContact O-N 2.93Å; V138-I141 PolarHBondContact O-N 3.34Å; V138-S142 VanDerWaalsContact O-CB 3.29Å; V138-S142 WeakPolarHBondContact O-CB 3.34Å; V138-S142 PolarHBondContact O-N 3.26Å; V138-S142 PolarHBondContact O-OG 3.02Å; V138-V181 HydrophobicContact CG2-CG2 3.84Å; V138-L184 HydrophobicContact CG1-CD1 3.99Å; V138-L184 HydrophobicContact CG2-CD1 4.48Å |
| 139 | E | 90 | Very high | 85.9 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.4 | -53.1 | 174.3 | -174.9 | -173.9 | 176.7 | 0 | 0 | 111 | S135 K136 I141 S142 V143 | S135-E139 WeakPolarHBondContact O-CB 3.45Å; S135-E139 PolarHBondContact O-N 3.32Å; K136-E139 PolarHBondContact O-N 3.3Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.36Å; E139-S142 WeakPolarHBondContact O-CB 3.46Å; E139-S142 PolarHBondContact O-N 3.31Å; E139-V143 WeakPolarHBondContact O-CG2 3.36Å; E139-V143 PolarHBondContact O-N 3.21Å |
| 140 | C | 88.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.034 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -34.6 | -179.9 | -68.9 | 0 | 0 | 0 | 0 | 113.3 | K136 I137 S142 Q148 A152 | K136-C140 PolarHBondContact O-N 3.15Å; K136-C140 PolarHBondContact O-SG 3.04Å; K136-C140 VanDerWaalsContact O-SG 3.34Å; I137-C140 PolarHBondContact O-N 3.22Å; C140-S142 VanDerWaalsContact C-N 3.31Å; C140-Q148 HydrophobicContact CB-CB 4.39Å; C140-A152 HydrophobicContact CB-CB 3.62Å |
| 141 | I | 87.2 | Confident | 85.4 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.5 | -26.5 | 174.6 | -67.7 | 171.3 | 0 | 0 | 0 | 111.4 | I137 V138 E139 W149 A152 L153 L156 L185 R188 | I137-I141 HydrophobicContact CG2-CD1 3.61Å; I137-I141 HydrophobicContact CG2-CG1 4.4Å; I137-I141 WeakPolarHBondContact O-CB 3.5Å; I137-I141 VanDerWaalsContact O-CG1 3.27Å; I137-I141 WeakPolarHBondContact O-CG1 3.17Å; I137-I141 PolarHBondContact O-N 2.93Å; V138-I141 PolarHBondContact O-N 3.34Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.36Å; I141-W149 PolarHBondContact O-NE1 2.93Å; I141-A152 HydrophobicContact CD1-CB 4.44Å; I141-A152 HydrophobicContact CG1-CB 3.82Å; I141-L153 HydrophobicContact CD1-CD2 4.33Å; I141-L156 HydrophobicContact CD1-CD2 4.48Å; I141-L185 HydrophobicContact CD1-CD2 4.17Å; I141-R188 HydrophobicContact CG2-CG 4.03Å; I141-R188 VanDerWaalsContact O-CZ 3.29Å; I141-R188 PolarHBondContact O-NE 3.43Å; I141-R188 PolarHBondContact O-NH2 3.46Å |
| 142 | S | 85.8 | Confident | 85.5 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -78.3 | -32.3 | -178.3 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | V138 E139 C140 R188 | V138-S142 VanDerWaalsContact O-CB 3.29Å; V138-S142 WeakPolarHBondContact O-CB 3.34Å; V138-S142 PolarHBondContact O-N 3.26Å; V138-S142 PolarHBondContact O-OG 3.02Å; E139-S142 WeakPolarHBondContact O-CB 3.46Å; E139-S142 PolarHBondContact O-N 3.31Å; C140-S142 VanDerWaalsContact C-N 3.31Å; S142-R188 PolarHBondContact O-NH2 2.95Å |
| 143 | V | 83.3 | Confident | 85.7 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -71 | 138.1 | 177 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | E139 D145 W149 | E139-V143 WeakPolarHBondContact O-CG2 3.36Å; E139-V143 PolarHBondContact O-N 3.21Å; V143-D145 HydrophobicContact CG1-CB 4.25Å; V143-D145 PolarHBondContact O-N 3.34Å; V143-W149 PolarHBondContact O-NE1 3.38Å |
| 144 | S | 69.5 | Low | 85.8 | Confident | 112 Ų | 112 | 44.8 Ų | 44.8 | 78% | 0.783 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -80.3 | 59 | -179.7 | -56 | 0 | 0 | 0 | 0 | 113.2 | ||
| 145 | D | 74.7 | Confident | 86 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | trans | -131.7 | 119.3 | 176.7 | 179.2 | -0.1 | 0 | 0 | 0 | 111 | V143 K147 Q148 W149 | V143-D145 HydrophobicContact CG1-CB 4.25Å; V143-D145 PolarHBondContact O-N 3.34Å; D145-K147 VanDerWaalsContact C-N 3.28Å; D145-K147 PolarHBondContact O-N 2.66Å; D145-K147 PolarHBondContact OD1-N 3.17Å; D145-Q148 HydrophobicContact CB-CB 4.2Å; D145-Q148 HydrophobicContact CB-CG 4.02Å; D145-Q148 PolarHBondContact O-N 3Å; D145-Q148 PolarHBondContact OD2-NE2 2.98Å; D145-Q148 VanDerWaalsContact OD2-NE2 3.09Å; D145-W149 VanDerWaalsContact O-CD1 3.3Å; D145-W149 PolarHBondContact O-N 3.16Å; D145-W149 VanDerWaalsContact O-N 3.09Å | ||
| 146 | G | 74.8 | Confident | 86.2 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 41% | 0.412 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61 | -30.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F150 | G146-F150 PolarHBondContact O-N 2.8Å; G146-F150 VanDerWaalsContact O-N 3.12Å |
| 147 | K | 78.9 | Confident | 86.5 | Confident | 148 Ų | 148 | 38.3 Ų | 38.3 | 64% | 0.643 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -69.5 | -40.9 | 176.4 | -71 | -174.3 | 179.9 | -178.8 | 0 | 111.5 | I104 D145 W149 F150 G151 | I104-K147 HydrophobicContact CG2-CB 4.26Å; D145-K147 VanDerWaalsContact C-N 3.28Å; D145-K147 PolarHBondContact O-N 2.66Å; D145-K147 PolarHBondContact OD1-N 3.17Å; K147-W149 VanDerWaalsContact C-N 3.35Å; K147-F150 WeakPolarHBondContact O-CB 3.26Å; K147-F150 PolarHBondContact O-N 3.21Å; K147-G151 PolarHBondContact O-N 3.38Å |
| 148 | Q | 83.7 | Confident | 86.7 | Confident | 52 Ų | 52 | 38.9 Ų | 38.9 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 177.5 | -67.1 | -180 | 38 | 0 | 0 | 111.4 | I104 C140 D145 F150 G151 A152 | I104-Q148 HydrophobicContact CD1-CG 4.47Å; I104-Q148 HydrophobicContact CG2-CG 4.29Å; C140-Q148 HydrophobicContact CB-CB 4.39Å; D145-Q148 HydrophobicContact CB-CB 4.2Å; D145-Q148 HydrophobicContact CB-CG 4.02Å; D145-Q148 PolarHBondContact O-N 3Å; D145-Q148 PolarHBondContact OD2-NE2 2.98Å; D145-Q148 VanDerWaalsContact OD2-NE2 3.09Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 2.88Å; Q148-G151 PolarHBondContact O-N 2.86Å; Q148-A152 WeakPolarHBondContact O-CB 3.26Å; Q148-A152 PolarHBondContact O-N 3.31Å |
| 149 | W | 85 | Confident | 86.9 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 11% | 0.114 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 173.5 | -66 | 1.8 | 0 | 0 | 0 | 111.2 | I141 V143 D145 K147 G151 A152 L153 L192 L203 | I141-W149 PolarHBondContact O-NE1 2.93Å; V143-W149 PolarHBondContact O-NE1 3.38Å; D145-W149 VanDerWaalsContact O-CD1 3.3Å; D145-W149 PolarHBondContact O-N 3.16Å; D145-W149 VanDerWaalsContact O-N 3.09Å; K147-W149 VanDerWaalsContact C-N 3.35Å; W149-G151 PolarHBondContact O-N 2.92Å; W149-A152 PolarHBondContact O-N 2.9Å; W149-L153 VanDerWaalsContact O-CB 3.26Å; W149-L153 WeakPolarHBondContact O-CB 3.21Å; W149-L153 WeakPolarHBondContact O-CG 3.45Å; W149-L153 PolarHBondContact O-N 2.93Å; W149-L192 HydrophobicContact CE3-CD2 4.26Å; W149-L192 HydrophobicContact CZ3-CD1 4.45Å; W149-L192 HydrophobicContact CZ3-CD2 3.81Å; W149-L192 HydrophobicContact CZ3-CG 4.12Å; W149-L203 HydrophobicContact CB-CD2 4.02Å; W149-L203 HydrophobicContact CE3-CD1 4.13Å |
| 150 | F | 83.5 | Confident | 87.1 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | -177.6 | -162.2 | -89 | 0 | 0 | 0 | 112 | G146 K147 Q148 L154 L203 I206 | G146-F150 PolarHBondContact O-N 2.8Å; G146-F150 VanDerWaalsContact O-N 3.12Å; K147-F150 WeakPolarHBondContact O-CB 3.26Å; K147-F150 PolarHBondContact O-N 3.21Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 2.88Å; F150-L154 HydrophobicContact CD1-CD1 3.82Å; F150-L154 HydrophobicContact CD1-CG 4.38Å; F150-L154 HydrophobicContact CE1-CD1 3.46Å; F150-L154 VanDerWaalsContact CE1-CD1 3.46Å; F150-L154 HydrophobicContact CE1-CG 4.15Å; F150-L154 HydrophobicContact CZ-CD1 4.35Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 3.43Å; F150-L154 VanDerWaalsContact O-N 3.16Å; F150-L203 HydrophobicContact CB-CD2 3.93Å; F150-L203 HydrophobicContact CD2-CD2 3.72Å; F150-L203 HydrophobicContact CD2-CG 4.38Å; F150-L203 HydrophobicContact CG-CD2 4.29Å; F150-I206 HydrophobicContact CD2-CD1 4.09Å; F150-I206 HydrophobicContact CE2-CD1 3.73Å; F150-I206 HydrophobicContact CZ-CD1 4.04Å |
| 151 | G | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K147 Q148 W149 L153 L154 V155 | K147-G151 PolarHBondContact O-N 3.38Å; Q148-G151 PolarHBondContact O-N 2.86Å; W149-G151 PolarHBondContact O-N 2.92Å; G151-L153 PolarHBondContact O-N 2.89Å; G151-L154 PolarHBondContact O-N 3.26Å; G151-V155 WeakPolarHBondContact O-CG2 3.48Å; G151-V155 PolarHBondContact O-N 3.34Å |
| 152 | A | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | I137 C140 I141 Q148 W149 V155 L156 | I137-A152 HydrophobicContact CG2-CB 4.46Å; C140-A152 HydrophobicContact CB-CB 3.62Å; I141-A152 HydrophobicContact CD1-CB 4.44Å; I141-A152 HydrophobicContact CG1-CB 3.82Å; Q148-A152 WeakPolarHBondContact O-CB 3.26Å; Q148-A152 PolarHBondContact O-N 3.31Å; W149-A152 PolarHBondContact O-N 2.9Å; A152-V155 PolarHBondContact O-N 3.35Å; A152-L156 WeakPolarHBondContact O-CB 3.42Å; A152-L156 PolarHBondContact O-N 3Å |
| 153 | L | 93.6 | Very high | 88 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.3 | -35 | 177.9 | -71.3 | 173.9 | 0 | 0 | 0 | 112.3 | I141 W149 G151 Q157 L185 L203 I206 I207 | I141-L153 HydrophobicContact CD1-CD2 4.33Å; W149-L153 VanDerWaalsContact O-CB 3.26Å; W149-L153 WeakPolarHBondContact O-CB 3.21Å; W149-L153 WeakPolarHBondContact O-CG 3.45Å; W149-L153 PolarHBondContact O-N 2.93Å; G151-L153 PolarHBondContact O-N 2.89Å; L153-Q157 WeakPolarHBondContact O-CB 3.47Å; L153-Q157 PolarHBondContact O-N 3.02Å; L153-L185 HydrophobicContact CD2-CD2 3.41Å; L153-L185 VanDerWaalsContact CD2-CD2 3.41Å; L153-L203 HydrophobicContact CD1-CB 4.44Å; L153-L203 HydrophobicContact CD1-CD2 3.85Å; L153-I206 HydrophobicContact CB-CB 4.41Å; L153-I206 HydrophobicContact CB-CG2 3.72Å; L153-I207 HydrophobicContact CD1-CD1 4.23Å; L153-I207 HydrophobicContact CD1-CG1 3.9Å; L153-I207 HydrophobicContact CD2-CG1 3.88Å |
| 154 | L | 92.4 | Very high | 88.3 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 11% | 0.105 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -47.2 | 173.3 | -77.2 | 179.8 | 0 | 0 | 0 | 111.6 | I103 R111 F150 G151 L156 Q157 Q158 I206 | I103-L154 HydrophobicContact CG2-CD1 4.23Å; R111-L154 VanDerWaalsContact CD-CD1 3.46Å; R111-L154 HydrophobicContact CG-CD1 3.83Å; F150-L154 HydrophobicContact CD1-CD1 3.82Å; F150-L154 HydrophobicContact CD1-CG 4.38Å; F150-L154 HydrophobicContact CE1-CD1 3.46Å; F150-L154 VanDerWaalsContact CE1-CD1 3.46Å; F150-L154 HydrophobicContact CE1-CG 4.15Å; F150-L154 HydrophobicContact CZ-CD1 4.35Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 3.43Å; F150-L154 VanDerWaalsContact O-N 3.16Å; G151-L154 PolarHBondContact O-N 3.26Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 3.41Å; L154-Q157 WeakPolarHBondContact O-CB 3.29Å; L154-Q157 PolarHBondContact O-N 2.77Å; L154-Q157 VanDerWaalsContact O-N 3.15Å; L154-Q158 WeakPolarHBondContact O-CG 3.36Å; L154-Q158 PolarHBondContact O-N 3.5Å; L154-I206 HydrophobicContact CD2-CD1 3.96Å; L154-I206 HydrophobicContact CD2-CG1 4.45Å; L154-I206 HydrophobicContact CG-CD1 4.22Å |
| 155 | V | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | I100 I103 V118 L122 V133 I137 G151 A152 Q157 Q158 L159 | I100-V155 HydrophobicContact CD1-CG1 4.31Å; I100-V155 HydrophobicContact CG1-CG1 4.46Å; I100-V155 HydrophobicContact CG1-CG2 4.07Å; I100-V155 HydrophobicContact CG2-CG2 4.38Å; I103-V155 HydrophobicContact CD1-CG2 3.76Å; V118-V155 HydrophobicContact CG1-CB 4.4Å; V118-V155 HydrophobicContact CG1-CG1 3.94Å; V118-V155 HydrophobicContact CG1-CG2 4.26Å; L122-V155 HydrophobicContact CD1-CG1 4.43Å; V133-V155 HydrophobicContact CG2-CG1 4.45Å; I137-V155 HydrophobicContact CD1-CG1 3.81Å; I137-V155 HydrophobicContact CG1-CG1 4.04Å; G151-V155 WeakPolarHBondContact O-CG2 3.48Å; G151-V155 PolarHBondContact O-N 3.34Å; A152-V155 PolarHBondContact O-N 3.35Å; V155-Q157 VanDerWaalsContact C-N 3.34Å; V155-Q157 PolarHBondContact O-N 2.89Å; V155-Q158 PolarHBondContact O-N 2.72Å; V155-L159 PolarHBondContact O-N 3.25Å |
| 156 | L | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 176.7 | -173.8 | 62.1 | 0 | 0 | 0 | 112.5 | F134 I137 I141 A152 L154 Q158 L159 V160 M178 V181 L185 T210 | F134-L156 HydrophobicContact CE1-CD1 3.91Å; F134-L156 HydrophobicContact CZ-CD1 4.38Å; I137-L156 HydrophobicContact CD1-CD1 4.44Å; I137-L156 HydrophobicContact CG2-CB 4.28Å; I137-L156 HydrophobicContact CG2-CD1 4.48Å; I141-L156 HydrophobicContact CD1-CD2 4.48Å; A152-L156 WeakPolarHBondContact O-CB 3.42Å; A152-L156 PolarHBondContact O-N 3Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 3.41Å; L156-Q158 VanDerWaalsContact C-N 3.35Å; L156-Q158 PolarHBondContact O-N 2.86Å; L156-L159 WeakPolarHBondContact O-CB 3.47Å; L156-L159 PolarHBondContact O-N 3.32Å; L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 2.87Å; L156-M178 HydrophobicContact CD1-SD 3.71Å; L156-V181 HydrophobicContact CD2-CG1 3.72Å; L156-L185 HydrophobicContact CD2-CD1 3.84Å; L156-L185 HydrophobicContact CD2-CD2 4.04Å; L156-L185 HydrophobicContact CD2-CG 4.36Å; L156-T210 HydrophobicContact CD2-CG2 4.48Å; L156-T210 HydrophobicContact CG-CG2 4.25Å |
| 157 | Q | 95.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.7 | 178.4 | 170.8 | 67.3 | 0 | 0 | 111.8 | L153 L154 V155 L159 V160 K161 I206 K209 T210 | L153-Q157 WeakPolarHBondContact O-CB 3.47Å; L153-Q157 PolarHBondContact O-N 3.02Å; L154-Q157 WeakPolarHBondContact O-CB 3.29Å; L154-Q157 PolarHBondContact O-N 2.77Å; L154-Q157 VanDerWaalsContact O-N 3.15Å; V155-Q157 VanDerWaalsContact C-N 3.34Å; V155-Q157 PolarHBondContact O-N 2.89Å; Q157-L159 VanDerWaalsContact C-N 3.33Å; Q157-V160 PolarHBondContact O-N 3.43Å; Q157-K161 WeakPolarHBondContact O-CG 3.39Å; Q157-K161 PolarHBondContact O-N 3.37Å; Q157-I206 HydrophobicContact CB-CG2 4.33Å; Q157-K209 VanDerWaalsContact NE2-CB 3.26Å; Q157-T210 WeakPolarHBondContact CB-OG1 3.46Å |
| 158 | Q | 95.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.9 | -36.8 | 178.9 | -59.2 | -55.6 | -17.4 | 0 | 0 | 111.8 | A115 R119 L122 L154 V155 L156 K161 N162 | A115-Q158 HydrophobicContact CB-CG 4.15Å; A115-Q158 WeakPolarHBondContact O-CG 3.4Å; R119-Q158 HydrophobicContact CB-CB 3.94Å; R119-Q158 HydrophobicContact CB-CG 4.32Å; R119-Q158 HydrophobicContact CG-CB 4.3Å; L122-Q158 HydrophobicContact CD1-CB 4.31Å; L154-Q158 WeakPolarHBondContact O-CG 3.36Å; L154-Q158 PolarHBondContact O-N 3.5Å; V155-Q158 PolarHBondContact O-N 2.72Å; L156-Q158 VanDerWaalsContact C-N 3.35Å; L156-Q158 PolarHBondContact O-N 2.86Å; Q158-K161 PolarHBondContact O-N 3.48Å; Q158-N162 PolarHBondContact O-N 3.15Å |
| 159 | L | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -51 | 172.9 | -177.3 | 51.1 | 0 | 0 | 0 | 111.3 | L122 F126 F134 V155 L156 Q157 K161 N162 Y163 L174 | L122-L159 HydrophobicContact CB-CD1 4.26Å; L122-L159 HydrophobicContact CD1-CB 3.78Å; L122-L159 HydrophobicContact CD1-CD1 4.41Å; L122-L159 HydrophobicContact CD2-CD1 4.22Å; F126-L159 HydrophobicContact CD1-CD1 3.61Å; F126-L159 HydrophobicContact CE1-CD1 4.05Å; F126-L159 HydrophobicContact CG-CD1 4.04Å; F134-L159 HydrophobicContact CD2-CD2 4.17Å; F134-L159 HydrophobicContact CE1-CD2 4.32Å; F134-L159 HydrophobicContact CE2-CD2 3.33Å; F134-L159 HydrophobicContact CZ-CD2 3.41Å; F134-L159 VanDerWaalsContact CZ-CD2 3.41Å; V155-L159 PolarHBondContact O-N 3.25Å; L156-L159 WeakPolarHBondContact O-CB 3.47Å; L156-L159 PolarHBondContact O-N 3.32Å; Q157-L159 VanDerWaalsContact C-N 3.33Å; L159-K161 VanDerWaalsContact C-N 3.29Å; L159-K161 PolarHBondContact O-N 3.47Å; L159-N162 WeakPolarHBondContact O-CB 3.38Å; L159-N162 PolarHBondContact O-N 3.01Å; L159-N162 VanDerWaalsContact O-N 3.14Å; L159-Y163 HydrophobicContact CD1-CD2 4.44Å; L159-Y163 HydrophobicContact CD1-CE2 3.95Å; L159-Y163 WeakPolarHBondContact O-CD2 3.42Å; L159-L174 HydrophobicContact CD2-CD1 4.2Å; L159-L174 HydrophobicContact CG-CD1 3.99Å |
| 160 | V | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -36.5 | -179 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | L156 Q157 N162 Y163 E164 L174 M178 T210 T213 L214 | L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 2.87Å; Q157-V160 PolarHBondContact O-N 3.43Å; V160-N162 VanDerWaalsContact C-N 3.29Å; V160-N162 PolarHBondContact O-N 3.38Å; V160-Y163 CarbonylContact O-C 3.42Å; V160-Y163 PolarHBondContact O-N 3.3Å; V160-E164 PolarHBondContact O-N 3.05Å; V160-L174 HydrophobicContact CG2-CD1 4.45Å; V160-L174 HydrophobicContact CG2-CD2 4.45Å; V160-M178 HydrophobicContact CG2-SD 4.28Å; V160-T210 HydrophobicContact CB-CG2 4.23Å; V160-T210 HydrophobicContact CG2-CG2 3.83Å; V160-T213 HydrophobicContact CG1-CG2 3.85Å; V160-L214 HydrophobicContact CG1-CB 3.75Å; V160-L214 HydrophobicContact CG1-CD1 4.1Å; V160-L214 HydrophobicContact CG2-CD1 4.5Å |
| 161 | K | 93.6 | Very high | 91 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.2 | -35 | 174.8 | -81.1 | -179.1 | 168.4 | -165.5 | 0 | 113.6 | Q157 Q158 L159 Y163 E164 T213 | Q157-K161 WeakPolarHBondContact O-CG 3.39Å; Q157-K161 PolarHBondContact O-N 3.37Å; Q158-K161 PolarHBondContact O-N 3.48Å; L159-K161 VanDerWaalsContact C-N 3.29Å; L159-K161 PolarHBondContact O-N 3.47Å; K161-Y163 PolarHBondContact O-N 2.87Å; K161-Y163 VanDerWaalsContact O-N 3.15Å; K161-E164 VanDerWaalsContact O-CB 3.3Å; K161-E164 WeakPolarHBondContact O-CB 3.5Å; K161-E164 PolarHBondContact O-N 3.45Å; K161-E164 VanDerWaalsContact O-N 3.17Å; K161-T213 HydrophobicContact CG-CG2 4.05Å |
| 162 | N | 93.1 | Very high | 91 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.9 | 177.5 | -69.4 | -10.8 | 0 | 0 | 0 | 113.4 | R119 R123 Q158 L159 V160 K166 | R119-N162 WeakPolarHBondContact CG-OD1 3.25Å; R119-N162 PolarHBondContact NE-OD1 3.26Å; R119-N162 PolarHBondContact O-ND2 3.29Å; R123-N162 WeakPolarHBondContact CA-ND2 3.28Å; R123-N162 PolarHBondContact N-ND2 3.41Å; R123-N162 VanDerWaalsContact N-ND2 3.11Å; Q158-N162 PolarHBondContact O-N 3.15Å; L159-N162 WeakPolarHBondContact O-CB 3.38Å; L159-N162 PolarHBondContact O-N 3.01Å; L159-N162 VanDerWaalsContact O-N 3.14Å; V160-N162 VanDerWaalsContact C-N 3.29Å; V160-N162 PolarHBondContact O-N 3.38Å; N162-K166 WeakPolarHBondContact O-CE 3.41Å |
| 163 | Y | 92.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 10.8 | 177.9 | -68 | -98.1 | 0 | 0 | 0 | 112.1 | F126 L159 V160 K161 K166 E170 K171 L174 | F126-Y163 HydrophobicContact CD1-CE2 4.18Å; F126-Y163 WeakPolarHBondContact CD1-OH 3.41Å; F126-Y163 HydrophobicContact CE1-CE2 4.26Å; L159-Y163 HydrophobicContact CD1-CD2 4.44Å; L159-Y163 HydrophobicContact CD1-CE2 3.95Å; L159-Y163 WeakPolarHBondContact O-CD2 3.42Å; V160-Y163 CarbonylContact O-C 3.42Å; V160-Y163 PolarHBondContact O-N 3.3Å; K161-Y163 PolarHBondContact O-N 2.87Å; K161-Y163 VanDerWaalsContact O-N 3.15Å; Y163-K166 HydrophobicContact CD1-CD 3.82Å; Y163-K166 HydrophobicContact CE1-CD 4.26Å; Y163-K166 HydrophobicContact CG-CD 4.41Å; Y163-E170 WeakPolarHBondContact CE1-O 3.25Å; Y163-K171 HydrophobicContact CD1-CG 4.43Å; Y163-K171 WeakPolarHBondContact O-CE 3.48Å; Y163-K171 PolarHBondContact O-NZ 3.49Å; Y163-L174 HydrophobicContact CD1-CB 4.09Å; Y163-L174 HydrophobicContact CD1-CD2 4.41Å; Y163-L174 HydrophobicContact CD2-CB 4.24Å; Y163-L174 HydrophobicContact CD2-CD2 3.93Å; Y163-L174 HydrophobicContact CD2-CG 4.49Å; Y163-L174 HydrophobicContact CE1-CB 4.2Å; Y163-L174 HydrophobicContact CE2-CB 4.38Å; Y163-L174 HydrophobicContact CG-CB 4.11Å; Y163-L174 HydrophobicContact CG-CD2 3.72Å; Y163-L174 HydrophobicContact CG-CG 4.48Å |
| 164 | E | 90.5 | Very high | 90.7 | Very high | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -57.8 | -54.6 | -176.1 | -179.2 | 167.8 | -176.8 | 0 | 0 | 111.1 | V160 K161 K171 T213 Q216 F217 | V160-E164 PolarHBondContact O-N 3.05Å; K161-E164 VanDerWaalsContact O-CB 3.3Å; K161-E164 WeakPolarHBondContact O-CB 3.5Å; K161-E164 PolarHBondContact O-N 3.45Å; K161-E164 VanDerWaalsContact O-N 3.17Å; E164-K171 PolarHBondContact O-NZ 3.04Å; E164-T213 HydrophobicContact CB-CG2 3.85Å; E164-T213 HydrophobicContact CG-CG2 3.82Å; E164-T213 WeakPolarHBondContact OE2-CG2 3.31Å; E164-Q216 VanDerWaalsContact CD-NE2 3.3Å; E164-Q216 PolarHBondContact OE1-NE2 3.45Å; E164-F217 HydrophobicContact CG-CD2 3.96Å; E164-F217 HydrophobicContact CG-CE2 3.89Å; E164-F217 WeakPolarHBondContact O-CD2 3.4Å |
| 165 | Y | 89.8 | Confident | 90.7 | Very high | 160 Ų | 160 | 46.5 Ų | 46.5 | 63% | 0.627 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -91.8 | -4.5 | -175.1 | -55.3 | -76.6 | 0 | 0 | 0 | 114.6 | F217 | Y165-F217 HydrophobicContact CD1-CD2 4.01Å; Y165-F217 AromaticContact CD1-CE2 3.5Å; Y165-F217 HydrophobicContact CD1-CE2 3.5Å; Y165-F217 AromaticContact CD1-CZ 3.82Å; Y165-F217 HydrophobicContact CD1-CZ 3.82Å; Y165-F217 HydrophobicContact CE1-CD2 4.19Å; Y165-F217 HydrophobicContact CE1-CE1 4.48Å; Y165-F217 AromaticContact CE1-CE2 3.24Å; Y165-F217 HydrophobicContact CE1-CE2 3.24Å; Y165-F217 AromaticContact CE1-CZ 3.44Å; Y165-F217 HydrophobicContact CE1-CZ 3.44Å; Y165-F217 VanDerWaalsContact CE1-CZ 3.44Å |
| 166 | K | 88.1 | Confident | 90.5 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | trans | -67.9 | 150.1 | -179.3 | -67.6 | -162.1 | 176 | -161.8 | 0 | 113.2 | N162 Y163 E170 K171 N218 | N162-K166 WeakPolarHBondContact O-CE 3.41Å; Y163-K166 HydrophobicContact CD1-CD 3.82Å; Y163-K166 HydrophobicContact CE1-CD 4.26Å; Y163-K166 HydrophobicContact CG-CD 4.41Å; K166-E170 HydrophobicContact CB-CB 4.09Å; K166-E170 HydrophobicContact CD-CB 4.1Å; K166-K171 HydrophobicContact CB-CG 4.28Å; K166-K171 WeakPolarHBondContact O-CE 3.46Å; K166-N218 PolarHBondContact O-ND2 2.86Å | ||
| 167 | K | 86.3 | Confident | 90.3 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | trans | -70.1 | 158.8 | 175.7 | -65 | 173 | -173.6 | 163.1 | 0 | 110.1 | K169 E170 K171 D942 | K167-K169 VanDerWaalsContact C-N 3.27Å; K167-K169 PolarHBondContact O-N 3.29Å; K167-E170 WeakPolarHBondContact CB-OE2 3.38Å; K167-E170 PolarHBondContact N-OE2 3.06Å; K167-E170 PolarHBondContact O-N 3.43Å; K167-K171 PolarHBondContact O-N 3.38Å; K167-D942 IonicContact NZ-OD2 3.76Å; K167-D942 PolarHBondContact NZ-OD2 3.04Å | ||
| 168 | V | 83.8 | Confident | 90.3 | Very high | 41 Ų | 41 | 53 Ų | 53 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -51.7 | -44 | -174.4 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | E170 K171 N218 H220 | V168-E170 VanDerWaalsContact C-N 3.3Å; V168-E170 PolarHBondContact O-N 3.17Å; V168-K171 PolarHBondContact O-N 2.94Å; V168-N218 HydrophobicContact CG2-CB 3.94Å; V168-H220 VanDerWaalsContact CG1-CD2 3.44Å; V168-H220 WeakPolarHBondContact CG1-CD2 3.42Å |
| 169 | K | 84.4 | Confident | 90.1 | Very high | 187 Ų | 187 | 58 Ų | 58 | 81% | 0.813 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -61.1 | -35.3 | -179.1 | -65.5 | -178.8 | -179.1 | 175.1 | 0 | 113.1 | K167 K171 T172 | K167-K169 VanDerWaalsContact C-N 3.27Å; K167-K169 PolarHBondContact O-N 3.29Å; K169-K171 VanDerWaalsContact C-N 3.3Å; K169-K171 PolarHBondContact O-N 2.7Å; K169-T172 PolarHBondContact O-OG1 3.05Å |
| 170 | E | 86.3 | Confident | 89.9 | Confident | 97 Ų | 97 | 63.4 Ų | 63.4 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -81.7 | -11.2 | -177.7 | -56.6 | 174.1 | 96 | 0 | 0 | 112.7 | Y163 K166 K167 V168 T172 | Y163-E170 WeakPolarHBondContact CE1-O 3.25Å; K166-E170 HydrophobicContact CB-CB 4.09Å; K166-E170 HydrophobicContact CD-CB 4.1Å; K167-E170 WeakPolarHBondContact CB-OE2 3.38Å; K167-E170 PolarHBondContact N-OE2 3.06Å; K167-E170 PolarHBondContact O-N 3.43Å; V168-E170 VanDerWaalsContact C-N 3.3Å; V168-E170 PolarHBondContact O-N 3.17Å; E170-T172 VanDerWaalsContact C-N 3.3Å |
| 171 | K | 88.5 | Confident | 89.8 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -84.6 | -2.6 | 176 | -59 | -165.6 | -169 | -150.8 | 0 | 113.3 | Y163 E164 K166 K167 V168 K169 D173 L174 V175 | Y163-K171 HydrophobicContact CD1-CG 4.43Å; Y163-K171 WeakPolarHBondContact O-CE 3.48Å; Y163-K171 PolarHBondContact O-NZ 3.49Å; E164-K171 PolarHBondContact O-NZ 3.04Å; K166-K171 HydrophobicContact CB-CG 4.28Å; K166-K171 WeakPolarHBondContact O-CE 3.46Å; K167-K171 PolarHBondContact O-N 3.38Å; V168-K171 PolarHBondContact O-N 2.94Å; K169-K171 VanDerWaalsContact C-N 3.3Å; K169-K171 PolarHBondContact O-N 2.7Å; K171-D173 VanDerWaalsContact C-N 3.33Å; K171-D173 PolarHBondContact O-N 3.16Å; K171-L174 WeakPolarHBondContact O-CB 3.35Å; K171-L174 PolarHBondContact O-N 2.86Å; K171-L174 VanDerWaalsContact O-N 3.07Å; K171-V175 HydrophobicContact CB-CG2 4.13Å; K171-V175 VanDerWaalsContact O-CG2 3.24Å; K171-V175 WeakPolarHBondContact O-CG2 3.22Å; K171-V175 PolarHBondContact O-N 3.11Å |
| 172 | T | 87.5 | Confident | 89.9 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 42% | 0.423 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.9 | -48.2 | -171.7 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | K169 E170 L174 V175 V176 | K169-T172 PolarHBondContact O-OG1 3.05Å; E170-T172 VanDerWaalsContact C-N 3.3Å; T172-L174 VanDerWaalsContact C-N 3.35Å; T172-L174 PolarHBondContact O-N 3.45Å; T172-V175 PolarHBondContact O-N 3.45Å; T172-V176 WeakPolarHBondContact O-CG2 3.34Å; T172-V176 PolarHBondContact O-N 3.37Å; T172-V176 VanDerWaalsContact O-N 3.1Å |
| 173 | D | 87.5 | Confident | 89.9 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | -179.9 | -66.9 | -31.1 | 0 | 0 | 0 | 112.2 | F126 P127 K171 H177 | F126-D173 HydrophobicContact CE1-CB 4.45Å; P127-D173 HydrophobicContact CG-CB 4.02Å; P127-D173 WeakPolarHBondContact CG-OD2 3.36Å; K171-D173 VanDerWaalsContact C-N 3.33Å; K171-D173 PolarHBondContact O-N 3.16Å; D173-H177 PolarHBondContact O-CD2 2.86Å |
| 174 | L | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.7 | 179 | 65 | 0 | 0 | 0 | 111.5 | F134 L159 V160 Y163 K171 T172 V176 H177 M178 L214 | F134-L174 HydrophobicContact CZ-CD1 3.99Å; L159-L174 HydrophobicContact CD2-CD1 4.2Å; L159-L174 HydrophobicContact CG-CD1 3.99Å; V160-L174 HydrophobicContact CG2-CD1 4.45Å; V160-L174 HydrophobicContact CG2-CD2 4.45Å; Y163-L174 HydrophobicContact CD1-CB 4.09Å; Y163-L174 HydrophobicContact CD1-CD2 4.41Å; Y163-L174 HydrophobicContact CD2-CB 4.24Å; Y163-L174 HydrophobicContact CD2-CD2 3.93Å; Y163-L174 HydrophobicContact CD2-CG 4.49Å; Y163-L174 HydrophobicContact CE1-CB 4.2Å; Y163-L174 HydrophobicContact CE2-CB 4.38Å; Y163-L174 HydrophobicContact CG-CB 4.11Å; Y163-L174 HydrophobicContact CG-CD2 3.72Å; Y163-L174 HydrophobicContact CG-CG 4.48Å; K171-L174 WeakPolarHBondContact O-CB 3.35Å; K171-L174 PolarHBondContact O-N 2.86Å; K171-L174 VanDerWaalsContact O-N 3.07Å; T172-L174 VanDerWaalsContact C-N 3.35Å; T172-L174 PolarHBondContact O-N 3.45Å; L174-V176 VanDerWaalsContact C-N 3.35Å; L174-V176 PolarHBondContact O-N 3.45Å; L174-H177 PolarHBondContact O-N 2.94Å; L174-M178 HydrophobicContact CD1-CG 3.61Å; L174-M178 HydrophobicContact CD1-SD 4.26Å; L174-M178 HydrophobicContact CG-CG 3.75Å; L174-M178 WeakPolarHBondContact O-CB 3.37Å; L174-M178 VanDerWaalsContact O-CG 3.31Å; L174-M178 WeakPolarHBondContact O-CG 3.21Å; L174-M178 PolarHBondContact O-N 3.05Å; L174-L214 HydrophobicContact CD2-CD1 3.81Å |
| 175 | V | 91.3 | Very high | 90 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | -174.6 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | K171 T172 H177 M178 K179 H220 D222 L223 | K171-V175 HydrophobicContact CB-CG2 4.13Å; K171-V175 VanDerWaalsContact O-CG2 3.24Å; K171-V175 WeakPolarHBondContact O-CG2 3.22Å; K171-V175 PolarHBondContact O-N 3.11Å; T172-V175 PolarHBondContact O-N 3.45Å; V175-H177 PolarHBondContact O-N 3.15Å; V175-M178 PolarHBondContact O-N 3.5Å; V175-K179 WeakPolarHBondContact O-CB 3.49Å; V175-K179 PolarHBondContact O-N 3.02Å; V175-H220 HydrophobicContact CG1-CB 4.46Å; V175-H220 HydrophobicContact CG2-CB 3.61Å; V175-D222 HydrophobicContact CG1-CB 4.27Å; V175-L223 HydrophobicContact CG1-CD1 4.41Å; V175-L223 HydrophobicContact CG2-CD1 4.39Å |
| 176 | V | 90.6 | Very high | 90.3 | Very high | 88 Ų | 88 | 59.5 Ų | 59.5 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.1 | -41.5 | 177.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | T172 L174 | T172-V176 WeakPolarHBondContact O-CG2 3.34Å; T172-V176 PolarHBondContact O-N 3.37Å; T172-V176 VanDerWaalsContact O-N 3.1Å; L174-V176 VanDerWaalsContact C-N 3.35Å; L174-V176 PolarHBondContact O-N 3.45Å |
| 177 | H | 91.4 | Very high | 90.6 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 27% | 0.269 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -83.9 | -42.9 | 178.6 | -62.8 | -75 | 0 | 0 | 0 | 112.7 | F126 F134 D173 L174 V175 K179 N180 V181 | F126-H177 AromaticContact CZ-CD2 3.73Å; F134-H177 HydrophobicContact CD1-CB 3.61Å; F134-H177 HydrophobicContact CD2-CB 3.48Å; F134-H177 VanDerWaalsContact CD2-CB 3.48Å; F134-H177 AromaticContact CD2-CD2 3.53Å; F134-H177 AromaticContact CD2-CG 3.31Å; F134-H177 AromaticContact CD2-ND1 3.76Å; F134-H177 HydrophobicContact CE1-CB 3.49Å; F134-H177 VanDerWaalsContact CE1-CB 3.49Å; F134-H177 HydrophobicContact CE2-CB 3.33Å; F134-H177 AromaticContact CE2-CD2 3.6Å; F134-H177 AromaticContact CE2-CG 3.53Å; F134-H177 HydrophobicContact CG-CB 3.6Å; F134-H177 AromaticContact CG-CG 3.67Å; F134-H177 AromaticContact CG-ND1 3.83Å; F134-H177 HydrophobicContact CZ-CB 3.35Å; D173-H177 PolarHBondContact O-CD2 2.86Å; L174-H177 PolarHBondContact O-N 2.94Å; V175-H177 PolarHBondContact O-N 3.15Å; H177-K179 PolarHBondContact O-N 3.15Å; H177-N180 PolarHBondContact O-N 3.16Å; H177-V181 PolarHBondContact O-N 3.09Å |
| 178 | M | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.5 | -29 | -177.2 | -72.9 | -54.7 | -56.3 | 0 | 0 | 113.1 | F134 L156 V160 L174 V175 N180 V181 L182 L185 L214 L223 | F134-M178 HydrophobicContact CE1-SD 4.02Å; F134-M178 HydrophobicContact CZ-SD 4.15Å; L156-M178 HydrophobicContact CD1-SD 3.71Å; V160-M178 HydrophobicContact CG2-SD 4.28Å; L174-M178 HydrophobicContact CD1-CG 3.61Å; L174-M178 HydrophobicContact CD1-SD 4.26Å; L174-M178 HydrophobicContact CG-CG 3.75Å; L174-M178 WeakPolarHBondContact O-CB 3.37Å; L174-M178 VanDerWaalsContact O-CG 3.31Å; L174-M178 WeakPolarHBondContact O-CG 3.21Å; L174-M178 PolarHBondContact O-N 3.05Å; V175-M178 PolarHBondContact O-N 3.5Å; M178-N180 PolarHBondContact O-N 3.37Å; M178-V181 HydrophobicContact CE-CB 4.38Å; M178-V181 HydrophobicContact CE-CG1 4.3Å; M178-V181 PolarHBondContact O-N 3.25Å; M178-V181 VanDerWaalsContact O-N 3.13Å; M178-V181 HydrophobicContact SD-CB 4.34Å; M178-V181 HydrophobicContact SD-CG1 4.47Å; M178-L182 HydrophobicContact CE-CD2 4.14Å; M178-L182 HydrophobicContact CE-CG 4.01Å; M178-L182 WeakPolarHBondContact O-CB 3.48Å; M178-L182 VanDerWaalsContact O-CG 3.3Å; M178-L182 WeakPolarHBondContact O-CG 3.39Å; M178-L182 PolarHBondContact O-N 3.36Å; M178-L185 HydrophobicContact CE-CD1 4.33Å; M178-L214 HydrophobicContact CE-CD2 3.93Å; M178-L214 HydrophobicContact CG-CD1 4.45Å; M178-L223 HydrophobicContact CB-CD1 3.69Å |
| 179 | K | 91.6 | Very high | 91.3 | Very high | 117 Ų | 117 | 54.2 Ų | 54.2 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55 | -33.6 | 172.7 | -172.4 | 172.5 | -175.4 | 165.3 | 0 | 113.1 | V175 H177 P183 | V175-K179 WeakPolarHBondContact O-CB 3.49Å; V175-K179 PolarHBondContact O-N 3.02Å; H177-K179 PolarHBondContact O-N 3.15Å; K179-P183 VanDerWaalsContact O-CD 3.3Å; K179-P183 WeakPolarHBondContact O-CD 3.46Å |
| 180 | N | 90.2 | Very high | 91.8 | Very high | 114 Ų | 114 | 48 Ų | 48 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -90.5 | -27.2 | 178.1 | -61.5 | -45.3 | 0 | 0 | 0 | 112.7 | H177 M178 | H177-N180 PolarHBondContact O-N 3.16Å; M178-N180 PolarHBondContact O-N 3.37Å |
| 181 | V | 93.1 | Very high | 92 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -83.3 | -34.4 | -177.7 | 176.9 | 0 | 0 | 0 | 0 | 112.2 | F134 V138 L156 H177 M178 L184 L185 | F134-V181 HydrophobicContact CD1-CG2 3.85Å; F134-V181 HydrophobicContact CE1-CG2 3.89Å; V138-V181 HydrophobicContact CG2-CG2 3.84Å; L156-V181 HydrophobicContact CD2-CG1 3.72Å; H177-V181 PolarHBondContact O-N 3.09Å; M178-V181 HydrophobicContact CE-CB 4.38Å; M178-V181 HydrophobicContact CE-CG1 4.3Å; M178-V181 PolarHBondContact O-N 3.25Å; M178-V181 VanDerWaalsContact O-N 3.13Å; M178-V181 HydrophobicContact SD-CB 4.34Å; M178-V181 HydrophobicContact SD-CG1 4.47Å; V181-L184 WeakPolarHBondContact O-CB 3.44Å; V181-L184 PolarHBondContact O-N 2.93Å; V181-L184 VanDerWaalsContact O-N 3.08Å; V181-L185 HydrophobicContact CG1-CD1 4.22Å; V181-L185 HydrophobicContact CG1-CD2 4.47Å; V181-L185 HydrophobicContact CG1-CG 4Å; V181-L185 WeakPolarHBondContact O-CG 3.26Å; V181-L185 PolarHBondContact O-N 3.33Å |
| 182 | L | 94.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.1 | -45.1 | -178.6 | -79.9 | 166.7 | 0 | 0 | 0 | 113.9 | M178 L184 L185 Y186 F211 L214 L223 M224 W232 | M178-L182 HydrophobicContact CE-CD2 4.14Å; M178-L182 HydrophobicContact CE-CG 4.01Å; M178-L182 WeakPolarHBondContact O-CB 3.48Å; M178-L182 VanDerWaalsContact O-CG 3.3Å; M178-L182 WeakPolarHBondContact O-CG 3.39Å; M178-L182 PolarHBondContact O-N 3.36Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.17Å; L182-L185 HydrophobicContact CD2-CD1 4.48Å; L182-L185 PolarHBondContact O-N 2.94Å; L182-Y186 PolarHBondContact O-N 3.33Å; L182-F211 HydrophobicContact CD2-CD2 3.83Å; L182-F211 HydrophobicContact CD2-CE2 4.2Å; L182-L214 HydrophobicContact CD1-CD2 4.15Å; L182-L214 HydrophobicContact CD2-CD2 4.08Å; L182-L214 HydrophobicContact CG-CD2 4.44Å; L182-L223 HydrophobicContact CD1-CD1 3.58Å; L182-L223 HydrophobicContact CD1-CD2 3.96Å; L182-L223 HydrophobicContact CD1-CG 3.47Å; L182-L223 VanDerWaalsContact CD1-CG 3.47Å; L182-M224 HydrophobicContact CD1-CE 3.54Å; L182-M224 HydrophobicContact CD2-CE 4.47Å; L182-W232 HydrophobicContact CD2-CZ2 4.09Å |
| 183 | P | 93.7 | Very high | 92.5 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -36.9 | 174.2 | -25.3 | 35.2 | 0 | 0 | 0 | 113 | K179 Y186 Q187 | K179-P183 VanDerWaalsContact O-CD 3.3Å; K179-P183 WeakPolarHBondContact O-CD 3.46Å; P183-Y186 PolarHBondContact O-N 3.06Å; P183-Q187 WeakPolarHBondContact O-CB 2.94Å; P183-Q187 PolarHBondContact O-N 3.25Å |
| 184 | L | 91.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 175.5 | -62.3 | 175.4 | 0 | 0 | 0 | 111.3 | V138 V181 L182 Y186 Q187 R188 | V138-L184 HydrophobicContact CG1-CD1 3.99Å; V138-L184 HydrophobicContact CG2-CD1 4.48Å; V181-L184 WeakPolarHBondContact O-CB 3.44Å; V181-L184 PolarHBondContact O-N 2.93Å; V181-L184 VanDerWaalsContact O-N 3.08Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.17Å; L184-Y186 VanDerWaalsContact C-N 3.32Å; L184-Y186 PolarHBondContact O-N 3.11Å; L184-Q187 PolarHBondContact O-N 3.27Å; L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 2.93Å |
| 185 | L | 94.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.1 | -67 | -176.9 | 0 | 0 | 0 | 111.7 | I141 L153 L156 M178 V181 L182 R188 M189 I207 W232 | I141-L185 HydrophobicContact CD1-CD2 4.17Å; L153-L185 HydrophobicContact CD2-CD2 3.41Å; L153-L185 VanDerWaalsContact CD2-CD2 3.41Å; L156-L185 HydrophobicContact CD2-CD1 3.84Å; L156-L185 HydrophobicContact CD2-CD2 4.04Å; L156-L185 HydrophobicContact CD2-CG 4.36Å; M178-L185 HydrophobicContact CE-CD1 4.33Å; V181-L185 HydrophobicContact CG1-CD1 4.22Å; V181-L185 HydrophobicContact CG1-CD2 4.47Å; V181-L185 HydrophobicContact CG1-CG 4Å; V181-L185 WeakPolarHBondContact O-CG 3.26Å; V181-L185 PolarHBondContact O-N 3.33Å; L182-L185 HydrophobicContact CD2-CD1 4.48Å; L182-L185 PolarHBondContact O-N 2.94Å; L185-R188 PolarHBondContact O-N 3.46Å; L185-M189 WeakPolarHBondContact O-CB 3.23Å; L185-M189 PolarHBondContact O-N 2.95Å; L185-I207 HydrophobicContact CB-CG2 4.31Å; L185-W232 HydrophobicContact CB-CH2 3.98Å; L185-W232 HydrophobicContact CB-CZ2 4.15Å |
| 186 | Y | 95.4 | Very high | 92.8 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 176.2 | -176.9 | -96 | 0 | 0 | 0 | 111 | L182 P183 L184 R188 M189 C190 E231 W232 L235 | L182-Y186 PolarHBondContact O-N 3.33Å; P183-Y186 PolarHBondContact O-N 3.06Å; L184-Y186 VanDerWaalsContact C-N 3.32Å; L184-Y186 PolarHBondContact O-N 3.11Å; Y186-R188 VanDerWaalsContact C-N 3.31Å; Y186-R188 PolarHBondContact O-N 3.4Å; Y186-M189 WeakPolarHBondContact O-CB 3.48Å; Y186-M189 PolarHBondContact O-N 3.32Å; Y186-C190 PolarHBondContact O-N 3.02Å; Y186-C190 PolarHBondContact O-SG 3.27Å; Y186-C190 VanDerWaalsContact O-SG 3.32Å; Y186-E231 HydrophobicContact CE2-CB 3.84Å; Y186-W232 HydrophobicContact CD2-CD2 4.12Å; Y186-W232 AromaticContact CD2-CE2 3.97Å; Y186-W232 HydrophobicContact CD2-CG 4.4Å; Y186-W232 HydrophobicContact CD2-CZ2 4.34Å; Y186-L235 HydrophobicContact CD2-CD1 3.78Å; Y186-L235 HydrophobicContact CE2-CB 4.31Å; Y186-L235 HydrophobicContact CE2-CD1 3.61Å |
| 187 | Q | 93.4 | Very high | 92.8 | Very high | 98 Ų | 98 | 51 Ų | 51 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57 | -43.7 | 176.3 | -175.8 | -173.3 | 4.4 | 0 | 0 | 112.2 | P183 L184 C190 Q191 | P183-Q187 WeakPolarHBondContact O-CB 2.94Å; P183-Q187 PolarHBondContact O-N 3.25Å; L184-Q187 PolarHBondContact O-N 3.27Å; Q187-C190 PolarHBondContact O-N 3.39Å; Q187-Q191 WeakPolarHBondContact O-CG 3.18Å; Q187-Q191 PolarHBondContact O-N 3.13Å; Q187-Q191 VanDerWaalsContact O-N 3.11Å |
| 188 | R | 91 | Very high | 92.8 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 177.6 | -69.4 | -58.8 | -178.4 | -145.1 | -0.5 | 112.2 | I141 S142 L184 L185 Y186 C190 Q191 L192 I207 | I141-R188 HydrophobicContact CG2-CG 4.03Å; I141-R188 VanDerWaalsContact O-CZ 3.29Å; I141-R188 PolarHBondContact O-NE 3.43Å; I141-R188 PolarHBondContact O-NH2 3.46Å; S142-R188 PolarHBondContact O-NH2 2.95Å; L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 2.93Å; L185-R188 PolarHBondContact O-N 3.46Å; Y186-R188 VanDerWaalsContact C-N 3.31Å; Y186-R188 PolarHBondContact O-N 3.4Å; R188-C190 VanDerWaalsContact C-N 3.34Å; R188-C190 PolarHBondContact O-N 2.97Å; R188-Q191 WeakPolarHBondContact O-CB 3.34Å; R188-Q191 PolarHBondContact O-N 3.13Å; R188-Q191 VanDerWaalsContact O-N 3.13Å; R188-L192 VanDerWaalsContact O-CG 3.32Å; R188-L192 WeakPolarHBondContact O-CG 3.16Å; R188-L192 PolarHBondContact O-N 2.94Å; R188-I207 HydrophobicContact CB-CD1 4.47Å |
| 189 | M | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 175.1 | -168.4 | 62.9 | -174.2 | 0 | 0 | 110.6 | L185 Y186 Q191 L192 M193 Q204 I207 I208 L235 V239 I264 | L185-M189 WeakPolarHBondContact O-CB 3.23Å; L185-M189 PolarHBondContact O-N 2.95Å; Y186-M189 WeakPolarHBondContact O-CB 3.48Å; Y186-M189 PolarHBondContact O-N 3.32Å; M189-Q191 VanDerWaalsContact C-N 3.28Å; M189-Q191 PolarHBondContact O-N 3.46Å; M189-L192 PolarHBondContact O-N 3.12Å; M189-L192 VanDerWaalsContact O-N 3.09Å; M189-M193 HydrophobicContact CE-CG 4.43Å; M189-M193 HydrophobicContact CE-SD 3.8Å; M189-M193 VanDerWaalsContact O-CG 3.25Å; M189-M193 WeakPolarHBondContact O-CG 3.18Å; M189-M193 PolarHBondContact O-N 3.09Å; M189-Q204 HydrophobicContact CE-CB 3.77Å; M189-Q204 HydrophobicContact CE-CG 3.95Å; M189-Q204 HydrophobicContact SD-CB 3.75Å; M189-Q204 HydrophobicContact SD-CG 3.71Å; M189-I207 HydrophobicContact CB-CD1 4.28Å; M189-I207 HydrophobicContact CB-CG2 4.31Å; M189-I207 HydrophobicContact CG-CG2 4.47Å; M189-I207 HydrophobicContact SD-CB 4.22Å; M189-I207 HydrophobicContact SD-CD1 4.17Å; M189-I207 HydrophobicContact SD-CG2 4.26Å; M189-I208 HydrophobicContact CE-CD1 4.1Å; M189-I208 HydrophobicContact CE-CG1 3.87Å; M189-L235 HydrophobicContact CB-CD1 3.86Å; M189-L235 HydrophobicContact CE-CD2 3.61Å; M189-L235 HydrophobicContact CG-CD1 3.46Å; M189-L235 VanDerWaalsContact CG-CD1 3.46Å; M189-L235 HydrophobicContact CG-CD2 3.41Å; M189-L235 VanDerWaalsContact CG-CD2 3.41Å; M189-L235 HydrophobicContact CG-CG 3.94Å; M189-L235 HydrophobicContact SD-CD2 4.34Å; M189-V239 HydrophobicContact CE-CG2 3.33Å; M189-I264 HydrophobicContact CE-CD1 4.44Å |
| 190 | C | 94.4 | Very high | 92.6 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -35 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 113.6 | Y186 Q187 R188 P194 | Y186-C190 PolarHBondContact O-N 3.02Å; Y186-C190 PolarHBondContact O-SG 3.27Å; Y186-C190 VanDerWaalsContact O-SG 3.32Å; Q187-C190 PolarHBondContact O-N 3.39Å; R188-C190 VanDerWaalsContact C-N 3.34Å; R188-C190 PolarHBondContact O-N 2.97Å; C190-P194 WeakPolarHBondContact O-CD 3.31Å |
| 191 | Q | 91.7 | Very high | 92.8 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.6 | -32.3 | 176.1 | -71.7 | 171.1 | 2.7 | 0 | 0 | 113 | Q187 R188 M189 | Q187-Q191 WeakPolarHBondContact O-CG 3.18Å; Q187-Q191 PolarHBondContact O-N 3.13Å; Q187-Q191 VanDerWaalsContact O-N 3.11Å; R188-Q191 WeakPolarHBondContact O-CB 3.34Å; R188-Q191 PolarHBondContact O-N 3.13Å; R188-Q191 VanDerWaalsContact O-N 3.13Å; M189-Q191 VanDerWaalsContact C-N 3.28Å; M189-Q191 PolarHBondContact O-N 3.46Å |
| 192 | L | 92.5 | Very high | 92.8 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -81.2 | -33.6 | -178.9 | -71.8 | 166.7 | 0 | 0 | 0 | 112.6 | W149 R188 M189 P194 N195 S200 L203 Q204 I207 | W149-L192 HydrophobicContact CE3-CD2 4.26Å; W149-L192 HydrophobicContact CZ3-CD1 4.45Å; W149-L192 HydrophobicContact CZ3-CD2 3.81Å; W149-L192 HydrophobicContact CZ3-CG 4.12Å; R188-L192 VanDerWaalsContact O-CG 3.32Å; R188-L192 WeakPolarHBondContact O-CG 3.16Å; R188-L192 PolarHBondContact O-N 2.94Å; M189-L192 PolarHBondContact O-N 3.12Å; M189-L192 VanDerWaalsContact O-N 3.09Å; L192-P194 VanDerWaalsContact C-CD 3.46Å; L192-P194 VanDerWaalsContact C-N 3.35Å; L192-N195 PolarHBondContact O-N 3.41Å; L192-S200 PolarHBondContact O-OG 2.75Å; L192-S200 VanDerWaalsContact O-OG 3.08Å; L192-L203 HydrophobicContact CD1-CB 3.75Å; L192-L203 HydrophobicContact CD2-CB 4.44Å; L192-L203 HydrophobicContact CD2-CD1 4Å; L192-Q204 HydrophobicContact CB-CG 3.6Å; L192-Q204 HydrophobicContact CD1-CG 4.22Å; L192-Q204 PolarHBondContact O-NE2 3.14Å; L192-Q204 VanDerWaalsContact O-NE2 3.1Å; L192-I207 HydrophobicContact CD1-CD1 3.96Å |
| 193 | M | 93.2 | Very high | 92.7 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 14% | 0.138 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -43.6 | -175.3 | -81.4 | -67.3 | -70 | 0 | 0 | 114.8 | M189 N195 Q238 V239 Q242 | M189-M193 HydrophobicContact CE-CG 4.43Å; M189-M193 HydrophobicContact CE-SD 3.8Å; M189-M193 VanDerWaalsContact O-CG 3.25Å; M189-M193 WeakPolarHBondContact O-CG 3.18Å; M189-M193 PolarHBondContact O-N 3.09Å; M193-N195 VanDerWaalsContact C-N 3.26Å; M193-N195 PolarHBondContact O-N 3.35Å; M193-Q238 HydrophobicContact CE-CB 3.77Å; M193-V239 HydrophobicContact CE-CG2 4.11Å; M193-V239 HydrophobicContact SD-CG2 3.58Å; M193-V239 VanDerWaalsContact SD-CG2 3.58Å; M193-Q242 PolarHBondContact O-NE2 2.9Å |
| 194 | P | 92.9 | Very high | 92.8 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 74% | 0.74 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.9 | 178.9 | -21.2 | 34.4 | 0 | 0 | 0 | 114.6 | C190 L192 | C190-P194 WeakPolarHBondContact O-CD 3.31Å; L192-P194 VanDerWaalsContact C-CD 3.46Å; L192-P194 VanDerWaalsContact C-N 3.35Å |
| 195 | N | 91.6 | Very high | 93 | Very high | 80 Ų | 80 | 45.9 Ų | 45.9 | 43% | 0.428 | 23% | 0.234 | S | C | . | . | trans | -94.4 | 112.4 | -178.6 | 179.8 | 6.9 | 0 | 0 | 0 | 110.4 | L192 M193 S197 S200 Q204 | L192-N195 PolarHBondContact O-N 3.41Å; M193-N195 VanDerWaalsContact C-N 3.26Å; M193-N195 PolarHBondContact O-N 3.35Å; N195-S197 WeakPolarHBondContact OD1-CB 3.48Å; N195-S197 PolarHBondContact OD1-N 2.84Å; N195-S200 WeakPolarHBondContact O-CB 3.15Å; N195-S200 PolarHBondContact O-OG 2.96Å; N195-Q204 PolarHBondContact O-NE2 2.84Å | ||
| 196 | N | 91.7 | Very high | 93.1 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | trans | -92.9 | 13.9 | -178.9 | -151.6 | 11.5 | 0 | 0 | 0 | 114.1 | P243 P245 W261 | N196-P243 PolarHBondContact ND2-O 3.42Å; N196-P245 WeakPolarHBondContact ND2-CD 3.42Å; N196-W261 PolarHBondContact O-NE1 2.93Å; N196-W261 PolarHBondContact OD1-NE1 3.42Å | ||
| 197 | S | 92 | Very high | 93.1 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -64.5 | 154.6 | 175 | 91.1 | 0 | 0 | 0 | 0 | 111.5 | N195 E199 S200 V201 | N195-S197 WeakPolarHBondContact OD1-CB 3.48Å; N195-S197 PolarHBondContact OD1-N 2.84Å; S197-E199 VanDerWaalsContact C-N 3.27Å; S197-E199 WeakPolarHBondContact CB-OE2 3.36Å; S197-E199 PolarHBondContact O-N 3.33Å; S197-E199 PolarHBondContact OG-OE2 2.89Å; S197-S200 PolarHBondContact O-N 3.45Å; S197-S200 PolarHBondContact OG-N 2.97Å; S197-V201 WeakPolarHBondContact O-CG2 3.4Å; S197-V201 PolarHBondContact O-N 3.13Å |
| 198 | Q | 90.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.7 | -43.6 | -178.5 | -165.7 | -177.5 | 8.7 | 0 | 0 | 111.7 | V201 Y202 V260 W261 | Q198-V201 PolarHBondContact O-N 3.37Å; Q198-Y202 HydrophobicContact CG-CD2 3.88Å; Q198-Y202 HydrophobicContact CG-CE2 3.67Å; Q198-Y202 WeakPolarHBondContact O-CB 2.92Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.39Å; Q198-Y202 PolarHBondContact O-N 3.31Å; Q198-V260 HydrophobicContact CG-CG1 3.84Å; Q198-W261 HydrophobicContact CB-CH2 3.86Å; Q198-W261 HydrophobicContact CB-CZ2 4.08Å; Q198-W261 HydrophobicContact CG-CH2 4Å; Q198-W261 HydrophobicContact CG-CZ3 4.47Å |
| 199 | E | 89.7 | Confident | 93.6 | Very high | 126 Ų | 126 | 39.4 Ų | 39.4 | 59% | 0.589 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -64.1 | -43.6 | 179.6 | -55.2 | 77.5 | -171.1 | 0 | 0 | 112.1 | S197 Y202 L203 | S197-E199 VanDerWaalsContact C-N 3.27Å; S197-E199 WeakPolarHBondContact CB-OE2 3.36Å; S197-E199 PolarHBondContact O-N 3.33Å; S197-E199 PolarHBondContact OG-OE2 2.89Å; E199-Y202 WeakPolarHBondContact O-CB 3.38Å; E199-Y202 PolarHBondContact O-N 3.42Å; E199-L203 WeakPolarHBondContact O-CG 3.38Å; E199-L203 PolarHBondContact O-N 3.48Å; E199-L203 VanDerWaalsContact O-N 3.13Å |
| 200 | S | 92.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 177 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | L192 N195 S197 Y202 L203 Q204 | L192-S200 PolarHBondContact O-OG 2.75Å; L192-S200 VanDerWaalsContact O-OG 3.08Å; N195-S200 WeakPolarHBondContact O-CB 3.15Å; N195-S200 PolarHBondContact O-OG 2.96Å; S197-S200 PolarHBondContact O-N 3.45Å; S197-S200 PolarHBondContact OG-N 2.97Å; S200-Y202 VanDerWaalsContact C-N 3.28Å; S200-Y202 PolarHBondContact O-N 3.1Å; S200-L203 WeakPolarHBondContact O-CB 3.44Å; S200-L203 PolarHBondContact O-N 3.37Å; S200-L203 VanDerWaalsContact O-N 3.13Å; S200-Q204 VanDerWaalsContact O-CG 3.28Å; S200-Q204 WeakPolarHBondContact O-CG 3.48Å; S200-Q204 PolarHBondContact O-N 3.08Å; S200-Q204 PolarHBondContact OG-NE2 3.22Å |
| 201 | V | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.2 | -30.1 | -178.6 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | S197 Q198 K205 V260 W261 I264 | S197-V201 WeakPolarHBondContact O-CG2 3.4Å; S197-V201 PolarHBondContact O-N 3.13Å; Q198-V201 PolarHBondContact O-N 3.37Å; V201-K205 VanDerWaalsContact O-CB 3.31Å; V201-K205 WeakPolarHBondContact O-CB 3.32Å; V201-K205 PolarHBondContact O-N 2.91Å; V201-V260 HydrophobicContact CB-CG1 3.99Å; V201-V260 HydrophobicContact CG1-CB 4.45Å; V201-V260 HydrophobicContact CG1-CG1 3.87Å; V201-V260 HydrophobicContact CG1-CG2 4.07Å; V201-W261 HydrophobicContact CG1-CG 4.3Å; V201-I264 HydrophobicContact CG1-CB 4.27Å; V201-I264 HydrophobicContact CG1-CD1 4.48Å; V201-I264 HydrophobicContact CG1-CG2 3.66Å |
| 202 | Y | 92 | Very high | 94.1 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 169.4 | -94.2 | -66.9 | 0 | 0 | 0 | 112.6 | Q198 E199 S200 K205 I206 V260 | Q198-Y202 HydrophobicContact CG-CD2 3.88Å; Q198-Y202 HydrophobicContact CG-CE2 3.67Å; Q198-Y202 WeakPolarHBondContact O-CB 2.92Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.39Å; Q198-Y202 PolarHBondContact O-N 3.31Å; E199-Y202 WeakPolarHBondContact O-CB 3.38Å; E199-Y202 PolarHBondContact O-N 3.42Å; S200-Y202 VanDerWaalsContact C-N 3.28Å; S200-Y202 PolarHBondContact O-N 3.1Å; Y202-K205 VanDerWaalsContact CE1-NZ 3.25Å; Y202-K205 WeakPolarHBondContact O-CB 3.49Å; Y202-K205 PolarHBondContact O-N 3.18Å; Y202-I206 WeakPolarHBondContact O-CG1 3.28Å; Y202-I206 PolarHBondContact O-N 3.45Å; Y202-I206 VanDerWaalsContact O-N 3.13Å; Y202-V260 HydrophobicContact CD1-CB 4.41Å; Y202-V260 HydrophobicContact CD1-CG2 3.53Å; Y202-V260 HydrophobicContact CD2-CB 4.18Å; Y202-V260 HydrophobicContact CD2-CG1 4.3Å; Y202-V260 HydrophobicContact CD2-CG2 3.89Å; Y202-V260 HydrophobicContact CE1-CB 4.2Å; Y202-V260 HydrophobicContact CE1-CG2 3.72Å; Y202-V260 HydrophobicContact CE2-CB 3.97Å; Y202-V260 HydrophobicContact CE2-CG1 4.29Å; Y202-V260 HydrophobicContact CE2-CG2 4.08Å; Y202-V260 HydrophobicContact CG-CB 4.37Å; Y202-V260 HydrophobicContact CG-CG2 3.59Å |
| 203 | L | 93.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 177.6 | -68.2 | 165.6 | 0 | 0 | 0 | 111.2 | W149 F150 L153 L192 E199 S200 K205 I206 I207 | W149-L203 HydrophobicContact CB-CD2 4.02Å; W149-L203 HydrophobicContact CE3-CD1 4.13Å; F150-L203 HydrophobicContact CB-CD2 3.93Å; F150-L203 HydrophobicContact CD2-CD2 3.72Å; F150-L203 HydrophobicContact CD2-CG 4.38Å; F150-L203 HydrophobicContact CG-CD2 4.29Å; L153-L203 HydrophobicContact CD1-CB 4.44Å; L153-L203 HydrophobicContact CD1-CD2 3.85Å; L192-L203 HydrophobicContact CD1-CB 3.75Å; L192-L203 HydrophobicContact CD2-CB 4.44Å; L192-L203 HydrophobicContact CD2-CD1 4Å; E199-L203 WeakPolarHBondContact O-CG 3.38Å; E199-L203 PolarHBondContact O-N 3.48Å; E199-L203 VanDerWaalsContact O-N 3.13Å; S200-L203 WeakPolarHBondContact O-CB 3.44Å; S200-L203 PolarHBondContact O-N 3.37Å; S200-L203 VanDerWaalsContact O-N 3.13Å; L203-K205 VanDerWaalsContact C-N 3.3Å; L203-K205 PolarHBondContact O-N 2.86Å; L203-I206 PolarHBondContact O-N 2.97Å; L203-I206 VanDerWaalsContact O-N 3.11Å; L203-I207 WeakPolarHBondContact O-CG1 3.46Å; L203-I207 PolarHBondContact O-N 3.48Å |
| 204 | Q | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -43.9 | 175 | -70.5 | 176.2 | 50 | 0 | 0 | 112 | M189 L192 N195 S200 I206 I207 I208 I264 | M189-Q204 HydrophobicContact CE-CB 3.77Å; M189-Q204 HydrophobicContact CE-CG 3.95Å; M189-Q204 HydrophobicContact SD-CB 3.75Å; M189-Q204 HydrophobicContact SD-CG 3.71Å; L192-Q204 HydrophobicContact CB-CG 3.6Å; L192-Q204 HydrophobicContact CD1-CG 4.22Å; L192-Q204 PolarHBondContact O-NE2 3.14Å; L192-Q204 VanDerWaalsContact O-NE2 3.1Å; N195-Q204 PolarHBondContact O-NE2 2.84Å; S200-Q204 VanDerWaalsContact O-CG 3.28Å; S200-Q204 WeakPolarHBondContact O-CG 3.48Å; S200-Q204 PolarHBondContact O-N 3.08Å; S200-Q204 PolarHBondContact OG-NE2 3.22Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; Q204-I206 PolarHBondContact O-N 3.35Å; Q204-I207 PolarHBondContact O-N 3.37Å; Q204-I208 PolarHBondContact O-N 3.4Å; Q204-I264 HydrophobicContact CB-CD1 3.39Å |
| 205 | K | 96.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 14% | 0.135 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.1 | -175.9 | -171.3 | 69.5 | -179.1 | 0 | 111.9 | V201 Y202 L203 K209 V260 K263 I264 | V201-K205 VanDerWaalsContact O-CB 3.31Å; V201-K205 WeakPolarHBondContact O-CB 3.32Å; V201-K205 PolarHBondContact O-N 2.91Å; Y202-K205 VanDerWaalsContact CE1-NZ 3.25Å; Y202-K205 WeakPolarHBondContact O-CB 3.49Å; Y202-K205 PolarHBondContact O-N 3.18Å; L203-K205 VanDerWaalsContact C-N 3.3Å; L203-K205 PolarHBondContact O-N 2.86Å; K205-K209 HydrophobicContact CG-CD 4.32Å; K205-K209 HydrophobicContact CG-CG 4.49Å; K205-K209 WeakPolarHBondContact O-CB 3.41Å; K205-K209 VanDerWaalsContact O-CG 3.28Å; K205-K209 WeakPolarHBondContact O-CG 3.31Å; K205-K209 PolarHBondContact O-N 3.27Å; K205-V260 HydrophobicContact CD-CG2 4.16Å; K205-K263 HydrophobicContact CD-CB 3.83Å; K205-I264 HydrophobicContact CB-CB 4.07Å; K205-I264 HydrophobicContact CB-CD1 4.48Å; K205-I264 HydrophobicContact CB-CG1 4.18Å; K205-I264 HydrophobicContact CG-CB 4.36Å |
| 206 | I | 95.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 178.1 | -61.3 | 164.7 | 0 | 0 | 0 | 109.7 | F150 L153 L154 Q157 Y202 L203 Q204 K209 T210 | F150-I206 HydrophobicContact CD2-CD1 4.09Å; F150-I206 HydrophobicContact CE2-CD1 3.73Å; F150-I206 HydrophobicContact CZ-CD1 4.04Å; L153-I206 HydrophobicContact CB-CB 4.41Å; L153-I206 HydrophobicContact CB-CG2 3.72Å; L154-I206 HydrophobicContact CD2-CD1 3.96Å; L154-I206 HydrophobicContact CD2-CG1 4.45Å; L154-I206 HydrophobicContact CG-CD1 4.22Å; Q157-I206 HydrophobicContact CB-CG2 4.33Å; Y202-I206 WeakPolarHBondContact O-CG1 3.28Å; Y202-I206 PolarHBondContact O-N 3.45Å; Y202-I206 VanDerWaalsContact O-N 3.13Å; L203-I206 PolarHBondContact O-N 2.97Å; L203-I206 VanDerWaalsContact O-N 3.11Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; Q204-I206 PolarHBondContact O-N 3.35Å; I206-K209 PolarHBondContact O-N 3.17Å; I206-T210 WeakPolarHBondContact O-CB 3.47Å; I206-T210 PolarHBondContact O-N 2.82Å; I206-T210 PolarHBondContact O-OG1 2.92Å |
| 207 | I | 97 | Very high | 94.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.1 | -51.1 | 178.1 | -63.7 | 168.7 | 0 | 0 | 0 | 111.3 | L153 L185 R188 M189 L192 L203 Q204 K209 T210 F211 W232 | L153-I207 HydrophobicContact CD1-CD1 4.23Å; L153-I207 HydrophobicContact CD1-CG1 3.9Å; L153-I207 HydrophobicContact CD2-CG1 3.88Å; L185-I207 HydrophobicContact CB-CG2 4.31Å; R188-I207 HydrophobicContact CB-CD1 4.47Å; M189-I207 HydrophobicContact CB-CD1 4.28Å; M189-I207 HydrophobicContact CB-CG2 4.31Å; M189-I207 HydrophobicContact CG-CG2 4.47Å; M189-I207 HydrophobicContact SD-CB 4.22Å; M189-I207 HydrophobicContact SD-CD1 4.17Å; M189-I207 HydrophobicContact SD-CG2 4.26Å; L192-I207 HydrophobicContact CD1-CD1 3.96Å; L203-I207 WeakPolarHBondContact O-CG1 3.46Å; L203-I207 PolarHBondContact O-N 3.48Å; Q204-I207 PolarHBondContact O-N 3.37Å; I207-K209 VanDerWaalsContact C-N 3.34Å; I207-K209 PolarHBondContact O-N 3.34Å; I207-T210 PolarHBondContact O-N 3.09Å; I207-F211 WeakPolarHBondContact O-CB 3.33Å; I207-F211 PolarHBondContact O-N 3.01Å; I207-W232 HydrophobicContact CG2-CH2 3.78Å; I207-W232 HydrophobicContact CG2-CZ3 3.94Å |
| 208 | I | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.5 | -69 | -66.8 | 0 | 0 | 0 | 111.4 | M189 Q204 F211 Y212 L235 V239 W267 A268 | M189-I208 HydrophobicContact CE-CD1 4.1Å; M189-I208 HydrophobicContact CE-CG1 3.87Å; Q204-I208 PolarHBondContact O-N 3.4Å; I208-F211 PolarHBondContact O-N 3.11Å; I208-Y212 VanDerWaalsContact O-CB 3.32Å; I208-Y212 WeakPolarHBondContact O-CB 3.28Å; I208-Y212 PolarHBondContact O-N 3.07Å; I208-L235 HydrophobicContact CD1-CD2 3.77Å; I208-V239 HydrophobicContact CD1-CG2 4.42Å; I208-W267 HydrophobicContact CG2-CB 3.97Å; I208-A268 HydrophobicContact CG2-CB 4.29Å |
| 209 | K | 96.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 20.1 Ų | 20.1 | 20% | 0.204 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 176.5 | -79.5 | -173 | 71.3 | 178 | 0 | 111.9 | Q157 K205 I206 I207 F211 Y212 T213 W267 | Q157-K209 VanDerWaalsContact NE2-CB 3.26Å; K205-K209 HydrophobicContact CG-CD 4.32Å; K205-K209 HydrophobicContact CG-CG 4.49Å; K205-K209 WeakPolarHBondContact O-CB 3.41Å; K205-K209 VanDerWaalsContact O-CG 3.28Å; K205-K209 WeakPolarHBondContact O-CG 3.31Å; K205-K209 PolarHBondContact O-N 3.27Å; I206-K209 PolarHBondContact O-N 3.17Å; I207-K209 VanDerWaalsContact C-N 3.34Å; I207-K209 PolarHBondContact O-N 3.34Å; K209-F211 VanDerWaalsContact C-N 3.34Å; K209-Y212 PolarHBondContact O-N 2.94Å; K209-T213 WeakPolarHBondContact O-CB 3.49Å; K209-T213 PolarHBondContact O-N 3.48Å; K209-T213 PolarHBondContact O-OG1 3.35Å; K209-T213 VanDerWaalsContact O-OG1 3.06Å; K209-W267 HydrophobicContact CD-CD2 4.04Å; K209-W267 HydrophobicContact CD-CG 4.2Å; K209-W267 HydrophobicContact CD-CZ2 4.01Å; K209-W267 HydrophobicContact CG-CB 4.27Å; K209-W267 HydrophobicContact CG-CD2 3.48Å; K209-W267 VanDerWaalsContact CG-CD2 3.48Å; K209-W267 HydrophobicContact CG-CE3 3.99Å; K209-W267 HydrophobicContact CG-CG 3.57Å; K209-W267 HydrophobicContact CG-CZ2 4.24Å |
| 210 | T | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 178.6 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | L156 Q157 V160 I206 I207 T213 L214 | L156-T210 HydrophobicContact CD2-CG2 4.48Å; L156-T210 HydrophobicContact CG-CG2 4.25Å; Q157-T210 WeakPolarHBondContact CB-OG1 3.46Å; V160-T210 HydrophobicContact CB-CG2 4.23Å; V160-T210 HydrophobicContact CG2-CG2 3.83Å; I206-T210 WeakPolarHBondContact O-CB 3.47Å; I206-T210 PolarHBondContact O-N 2.82Å; I206-T210 PolarHBondContact O-OG1 2.92Å; I207-T210 PolarHBondContact O-N 3.09Å; T210-T213 PolarHBondContact O-N 2.84Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 PolarHBondContact O-N 3.46Å |
| 211 | F | 97 | Very high | 93.1 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.7 | -175.1 | -99.1 | 0 | 0 | 0 | 112 | L182 I207 I208 K209 L214 V215 M224 F229 W232 M233 L271 | L182-F211 HydrophobicContact CD2-CD2 3.83Å; L182-F211 HydrophobicContact CD2-CE2 4.2Å; I207-F211 WeakPolarHBondContact O-CB 3.33Å; I207-F211 PolarHBondContact O-N 3.01Å; I208-F211 PolarHBondContact O-N 3.11Å; K209-F211 VanDerWaalsContact C-N 3.34Å; F211-L214 WeakPolarHBondContact O-CB 3.44Å; F211-L214 PolarHBondContact O-N 3.15Å; F211-V215 HydrophobicContact CD1-CG2 4.4Å; F211-V215 HydrophobicContact CE1-CG1 4.4Å; F211-V215 HydrophobicContact CE1-CG2 4.15Å; F211-V215 HydrophobicContact CE2-CG1 4.25Å; F211-V215 HydrophobicContact CZ-CG1 4.12Å; F211-V215 WeakPolarHBondContact O-CG2 3.35Å; F211-V215 PolarHBondContact O-N 3.43Å; F211-M224 HydrophobicContact CE2-CE 3.49Å; F211-M224 VanDerWaalsContact CE2-CE 3.49Å; F211-M224 HydrophobicContact CE2-SD 4.24Å; F211-M224 HydrophobicContact CZ-CE 4.06Å; F211-M224 HydrophobicContact CZ-SD 4.36Å; F211-F229 HydrophobicContact CZ-CD2 4.45Å; F211-W232 HydrophobicContact CB-CE3 4.37Å; F211-W232 HydrophobicContact CB-CZ3 4.14Å; F211-W232 HydrophobicContact CD1-CD2 4.47Å; F211-W232 HydrophobicContact CD1-CE3 4.1Å; F211-W232 AromaticContact CD2-CD2 3.72Å; F211-W232 HydrophobicContact CD2-CD2 3.72Å; F211-W232 AromaticContact CD2-CE2 3.9Å; F211-W232 AromaticContact CD2-CE3 3.83Å; F211-W232 HydrophobicContact CD2-CE3 3.83Å; F211-W232 HydrophobicContact CD2-CG 4.21Å; F211-W232 HydrophobicContact CD2-CH2 4.31Å; F211-W232 HydrophobicContact CD2-CZ2 4.2Å; F211-W232 HydrophobicContact CD2-CZ3 4.13Å; F211-W232 HydrophobicContact CE1-CB 3.92Å; F211-W232 HydrophobicContact CE1-CD2 4.36Å; F211-W232 HydrophobicContact CE1-CE3 4.36Å; F211-W232 HydrophobicContact CE1-CG 4.2Å; F211-W232 HydrophobicContact CE2-CB 4.08Å; F211-W232 AromaticContact CE2-CD1 3.78Å; F211-W232 AromaticContact CE2-CD2 3.56Å; F211-W232 HydrophobicContact CE2-CD2 3.56Å; F211-W232 AromaticContact CE2-CE2 3.83Å; F211-W232 HydrophobicContact CE2-CE3 4.08Å; F211-W232 AromaticContact CE2-CG 3.54Å; F211-W232 HydrophobicContact CE2-CG 3.54Å; F211-W232 AromaticContact CE2-NE1 3.95Å; F211-W232 HydrophobicContact CG-CD2 4.16Å; F211-W232 AromaticContact CG-CE3 3.82Å; F211-W232 HydrophobicContact CG-CE3 3.82Å; F211-W232 HydrophobicContact CG-CZ3 4.07Å; F211-W232 HydrophobicContact CZ-CB 3.54Å; F211-W232 AromaticContact CZ-CD2 3.91Å; F211-W232 HydrophobicContact CZ-CD2 3.91Å; F211-W232 HydrophobicContact CZ-CE3 4.36Å; F211-W232 AromaticContact CZ-CG 3.55Å; F211-W232 HydrophobicContact CZ-CG 3.55Å; F211-M233 HydrophobicContact CE1-CE 3.59Å; F211-M233 HydrophobicContact CZ-CE 4.25Å; F211-L271 HydrophobicContact CD1-CD1 4.11Å; F211-L271 HydrophobicContact CD1-CD2 3.64Å; F211-L271 HydrophobicContact CE1-CD1 4.15Å; F211-L271 HydrophobicContact CE1-CD2 3.99Å |
| 212 | Y | 96.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.027 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.9 | -53.2 | 174.2 | 171.4 | -92.5 | 0 | 0 | 0 | 111.7 | I208 K209 L214 V215 Q216 W267 R270 L271 R274 | I208-Y212 VanDerWaalsContact O-CB 3.32Å; I208-Y212 WeakPolarHBondContact O-CB 3.28Å; I208-Y212 PolarHBondContact O-N 3.07Å; K209-Y212 PolarHBondContact O-N 2.94Å; Y212-L214 PolarHBondContact O-N 2.82Å; Y212-V215 PolarHBondContact O-N 3.28Å; Y212-V215 VanDerWaalsContact O-N 3.08Å; Y212-Q216 HydrophobicContact CD1-CB 4.41Å; Y212-Q216 HydrophobicContact CD2-CB 4.27Å; Y212-Q216 HydrophobicContact CE1-CB 3.95Å; Y212-Q216 HydrophobicContact CE1-CG 4.24Å; Y212-Q216 HydrophobicContact CE2-CB 3.83Å; Y212-Q216 VanDerWaalsContact O-CB 3.32Å; Y212-Q216 WeakPolarHBondContact O-CB 3.23Å; Y212-Q216 PolarHBondContact O-N 3.13Å; Y212-Q216 PolarHBondContact OH-OE1 3.47Å; Y212-W267 AromaticContact CD1-CE3 3.95Å; Y212-W267 HydrophobicContact CD1-CE3 3.95Å; Y212-W267 AromaticContact CD1-CZ3 3.5Å; Y212-W267 HydrophobicContact CD1-CZ3 3.5Å; Y212-W267 HydrophobicContact CE1-CE3 4.39Å; Y212-W267 AromaticContact CE1-CZ3 3.67Å; Y212-W267 HydrophobicContact CE1-CZ3 3.67Å; Y212-W267 HydrophobicContact CG-CE3 4.24Å; Y212-W267 HydrophobicContact CG-CZ3 4.24Å; Y212-R270 HydrophobicContact CE2-CB 4.47Å; Y212-R270 HydrophobicContact CE2-CG 3.76Å; Y212-R270 VanDerWaalsContact OH-CZ 3.31Å; Y212-R270 PolarHBondContact OH-NE 2.93Å; Y212-R270 PolarHBondContact OH-NH2 2.88Å; Y212-L271 HydrophobicContact CD2-CB 3.97Å; Y212-L271 HydrophobicContact CD2-CD1 4.13Å; Y212-R274 HydrophobicContact CE2-CB 4.28Å |
| 213 | T | 95.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58 | -37.2 | -179.1 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | V160 K161 E164 K209 T210 V215 | V160-T213 HydrophobicContact CG1-CG2 3.85Å; K161-T213 HydrophobicContact CG-CG2 4.05Å; E164-T213 HydrophobicContact CB-CG2 3.85Å; E164-T213 HydrophobicContact CG-CG2 3.82Å; E164-T213 WeakPolarHBondContact OE2-CG2 3.31Å; K209-T213 WeakPolarHBondContact O-CB 3.49Å; K209-T213 PolarHBondContact O-N 3.48Å; K209-T213 PolarHBondContact O-OG1 3.35Å; K209-T213 VanDerWaalsContact O-OG1 3.06Å; T210-T213 PolarHBondContact O-N 2.84Å; T213-V215 PolarHBondContact O-N 3.18Å |
| 214 | L | 94.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 178.4 | -173.9 | 61.6 | 0 | 0 | 0 | 113.1 | V160 L174 M178 L182 T210 F211 Y212 L223 | V160-L214 HydrophobicContact CG1-CB 3.75Å; V160-L214 HydrophobicContact CG1-CD1 4.1Å; V160-L214 HydrophobicContact CG2-CD1 4.5Å; L174-L214 HydrophobicContact CD2-CD1 3.81Å; M178-L214 HydrophobicContact CE-CD2 3.93Å; M178-L214 HydrophobicContact CG-CD1 4.45Å; L182-L214 HydrophobicContact CD1-CD2 4.15Å; L182-L214 HydrophobicContact CD2-CD2 4.08Å; L182-L214 HydrophobicContact CG-CD2 4.44Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 PolarHBondContact O-N 3.46Å; F211-L214 WeakPolarHBondContact O-CB 3.44Å; F211-L214 PolarHBondContact O-N 3.15Å; Y212-L214 PolarHBondContact O-N 2.82Å; L214-L223 HydrophobicContact CD2-CD1 4.12Å; L214-L223 HydrophobicContact CD2-CD2 3.69Å; L214-L223 HydrophobicContact CD2-CG 4.44Å; L214-L223 HydrophobicContact CG-CD2 3.86Å |
| 215 | V | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -109.4 | -14.6 | -169.3 | -51.6 | 0 | 0 | 0 | 0 | 114.5 | F211 Y212 T213 F217 L219 L223 L271 M275 R278 | F211-V215 HydrophobicContact CD1-CG2 4.4Å; F211-V215 HydrophobicContact CE1-CG1 4.4Å; F211-V215 HydrophobicContact CE1-CG2 4.15Å; F211-V215 HydrophobicContact CE2-CG1 4.25Å; F211-V215 HydrophobicContact CZ-CG1 4.12Å; F211-V215 WeakPolarHBondContact O-CG2 3.35Å; F211-V215 PolarHBondContact O-N 3.43Å; Y212-V215 PolarHBondContact O-N 3.28Å; Y212-V215 VanDerWaalsContact O-N 3.08Å; T213-V215 PolarHBondContact O-N 3.18Å; V215-F217 VanDerWaalsContact C-N 3.32Å; V215-F217 PolarHBondContact O-N 3.41Å; V215-L219 HydrophobicContact CB-CD1 4.22Å; V215-L219 HydrophobicContact CG1-CD1 3.69Å; V215-L223 HydrophobicContact CG1-CD2 4.3Å; V215-L271 HydrophobicContact CG2-CD1 3.84Å; V215-M275 HydrophobicContact CG2-CE 3.97Å; V215-M275 HydrophobicContact CG2-SD 4.09Å; V215-R278 PolarHBondContact O-NH1 3.13Å |
| 216 | Q | 92 | Very high | 92.6 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -62.9 | -31.6 | -167.2 | 79.3 | -174.2 | -64.4 | 0 | 0 | 114.7 | E164 Y212 R274 R278 | E164-Q216 VanDerWaalsContact CD-NE2 3.3Å; E164-Q216 PolarHBondContact OE1-NE2 3.45Å; Y212-Q216 HydrophobicContact CD1-CB 4.41Å; Y212-Q216 HydrophobicContact CD2-CB 4.27Å; Y212-Q216 HydrophobicContact CE1-CB 3.95Å; Y212-Q216 HydrophobicContact CE1-CG 4.24Å; Y212-Q216 HydrophobicContact CE2-CB 3.83Å; Y212-Q216 VanDerWaalsContact O-CB 3.32Å; Y212-Q216 WeakPolarHBondContact O-CB 3.23Å; Y212-Q216 PolarHBondContact O-N 3.13Å; Y212-Q216 PolarHBondContact OH-OE1 3.47Å; Q216-R274 HydrophobicContact CB-CG 4.39Å; Q216-R274 PolarHBondContact O-NE 3.16Å; Q216-R274 PolarHBondContact O-NH2 2.98Å; Q216-R278 PolarHBondContact O-NH2 3.11Å |
| 217 | F | 88.2 | Confident | 92.6 | Very high | 74 Ų | 74 | 27.3 Ų | 27.3 | 33% | 0.325 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -102.9 | -48.8 | 179.8 | -71.2 | -69 | 0 | 0 | 0 | 111.2 | E164 Y165 V215 R278 | E164-F217 HydrophobicContact CG-CD2 3.96Å; E164-F217 HydrophobicContact CG-CE2 3.89Å; E164-F217 WeakPolarHBondContact O-CD2 3.4Å; Y165-F217 HydrophobicContact CD1-CD2 4.01Å; Y165-F217 AromaticContact CD1-CE2 3.5Å; Y165-F217 HydrophobicContact CD1-CE2 3.5Å; Y165-F217 AromaticContact CD1-CZ 3.82Å; Y165-F217 HydrophobicContact CD1-CZ 3.82Å; Y165-F217 HydrophobicContact CE1-CD2 4.19Å; Y165-F217 HydrophobicContact CE1-CE1 4.48Å; Y165-F217 AromaticContact CE1-CE2 3.24Å; Y165-F217 HydrophobicContact CE1-CE2 3.24Å; Y165-F217 AromaticContact CE1-CZ 3.44Å; Y165-F217 HydrophobicContact CE1-CZ 3.44Å; Y165-F217 VanDerWaalsContact CE1-CZ 3.44Å; V215-F217 VanDerWaalsContact C-N 3.32Å; V215-F217 PolarHBondContact O-N 3.41Å; F217-R278 VanDerWaalsContact C-NH2 3.29Å; F217-R278 PolarHBondContact O-NH2 2.9Å |
| 218 | N | 82.3 | Confident | 92.5 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | trans | -138.5 | 116.2 | -178.9 | -72 | -49.7 | 0 | 0 | 0 | 109.7 | K166 V168 | K166-N218 PolarHBondContact O-ND2 2.86Å; V168-N218 HydrophobicContact CG2-CB 3.94Å | ||
| 219 | L | 87.3 | Confident | 92.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -84.5 | 106.8 | 166.6 | 175.6 | 62.6 | 0 | 0 | 0 | 106.9 | V215 L223 M224 F229 F279 Y289 F292 | V215-L219 HydrophobicContact CB-CD1 4.22Å; V215-L219 HydrophobicContact CG1-CD1 3.69Å; L219-L223 HydrophobicContact CD1-CD2 3.9Å; L219-M224 HydrophobicContact CD1-CE 4.49Å; L219-F229 HydrophobicContact CD2-CD2 4.16Å; L219-F229 HydrophobicContact CD2-CE2 4.2Å; L219-F279 HydrophobicContact CD2-CE2 4.14Å; L219-F279 HydrophobicContact CD2-CZ 3.8Å; L219-Y289 HydrophobicContact CB-CE1 4.36Å; L219-Y289 WeakPolarHBondContact O-CE1 3.37Å; L219-Y289 VanDerWaalsContact O-CZ 3.26Å; L219-Y289 PolarHBondContact O-OH 2.79Å; L219-F292 HydrophobicContact CD2-CD1 3.62Å; L219-F292 HydrophobicContact CD2-CE1 3.74Å; L219-F292 HydrophobicContact CD2-CG 4.1Å; L219-F292 HydrophobicContact CD2-CZ 4.3Å | ||
| 220 | H | 88.8 | Confident | 92.4 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | trans | -66.1 | 129.5 | 178.1 | -169.9 | -70.9 | 0 | 0 | 0 | 109.9 | V168 V175 D222 L223 | V168-H220 VanDerWaalsContact CG1-CD2 3.44Å; V168-H220 WeakPolarHBondContact CG1-CD2 3.42Å; V175-H220 HydrophobicContact CG1-CB 4.46Å; V175-H220 HydrophobicContact CG2-CB 3.61Å; H220-D222 VanDerWaalsContact C-N 3.28Å; H220-D222 IonicContact CE1-OD2 3.19Å; H220-D222 PolarHBondContact CE1-OD2 3.31Å; H220-D222 PolarHBondContact ND1-N 3.05Å; H220-D222 VanDerWaalsContact ND1-N 3.14Å; H220-D222 PolarHBondContact O-N 3.2Å; H220-L223 HydrophobicContact CB-CB 4.27Å; H220-L223 WeakPolarHBondContact O-CB 3.42Å; H220-L223 PolarHBondContact O-N 2.95Å | ||
| 221 | P | 85.2 | Confident | 92.4 | Very high | 37 Ų | 37 | 34.2 Ų | 34.2 | 24% | 0.24 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -56.8 | -37.4 | -175.7 | -27 | 34.7 | 0 | 0 | 0 | 114.2 | L223 E288 Y289 | P221-L223 PolarHBondContact O-N 3.48Å; P221-E288 HydrophobicContact CG-CB 4.24Å; P221-Y289 HydrophobicContact CG-CE1 4.12Å |
| 222 | D | 88.4 | Confident | 92.4 | Very high | 104 Ų | 104 | 34.5 Ų | 34.5 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -76.3 | -4.6 | 178.7 | -63.6 | -34 | 0 | 0 | 0 | 115.3 | V175 H220 | V175-D222 HydrophobicContact CG1-CB 4.27Å; H220-D222 VanDerWaalsContact C-N 3.28Å; H220-D222 IonicContact CE1-OD2 3.19Å; H220-D222 PolarHBondContact CE1-OD2 3.31Å; H220-D222 PolarHBondContact ND1-N 3.05Å; H220-D222 VanDerWaalsContact ND1-N 3.14Å; H220-D222 PolarHBondContact O-N 3.2Å |
| 223 | L | 91.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -67.4 | -43 | -173.4 | -174.1 | 68 | 0 | 0 | 0 | 112.2 | V175 M178 L182 L214 V215 L219 H220 P221 | V175-L223 HydrophobicContact CG1-CD1 4.41Å; V175-L223 HydrophobicContact CG2-CD1 4.39Å; M178-L223 HydrophobicContact CB-CD1 3.69Å; L182-L223 HydrophobicContact CD1-CD1 3.58Å; L182-L223 HydrophobicContact CD1-CD2 3.96Å; L182-L223 HydrophobicContact CD1-CG 3.47Å; L182-L223 VanDerWaalsContact CD1-CG 3.47Å; L214-L223 HydrophobicContact CD2-CD1 4.12Å; L214-L223 HydrophobicContact CD2-CD2 3.69Å; L214-L223 HydrophobicContact CD2-CG 4.44Å; L214-L223 HydrophobicContact CG-CD2 3.86Å; V215-L223 HydrophobicContact CG1-CD2 4.3Å; L219-L223 HydrophobicContact CD1-CD2 3.9Å; H220-L223 HydrophobicContact CB-CB 4.27Å; H220-L223 WeakPolarHBondContact O-CB 3.42Å; H220-L223 PolarHBondContact O-N 2.95Å; P221-L223 PolarHBondContact O-N 3.48Å |
| 224 | M | 93.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -159.4 | 163 | 178.3 | 69.3 | -169.8 | 72.1 | 0 | 0 | 110.4 | L182 F211 L219 H228 F229 F292 | L182-M224 HydrophobicContact CD1-CE 3.54Å; L182-M224 HydrophobicContact CD2-CE 4.47Å; F211-M224 HydrophobicContact CE2-CE 3.49Å; F211-M224 VanDerWaalsContact CE2-CE 3.49Å; F211-M224 HydrophobicContact CE2-SD 4.24Å; F211-M224 HydrophobicContact CZ-CE 4.06Å; F211-M224 HydrophobicContact CZ-SD 4.36Å; L219-M224 HydrophobicContact CD1-CE 4.49Å; M224-H228 HydrophobicContact CB-CB 4.31Å; M224-F229 HydrophobicContact CG-CB 4.2Å; M224-F229 HydrophobicContact SD-CB 3.84Å; M224-F229 HydrophobicContact SD-CD2 4.17Å; M224-F292 HydrophobicContact CG-CE1 4.41Å; M224-F292 WeakPolarHBondContact O-CZ 3.5Å |
| 225 | T | 94.3 | Very high | 92.7 | Very high | 60 Ų | 60 | 37 Ų | 37 | 37% | 0.368 | 19% | 0.188 | S | C | . | . | trans | -76.3 | 155.8 | 173.5 | 81.2 | 0 | 0 | 0 | 0 | 111 | E227 H228 F229 | T225-E227 WeakPolarHBondContact CB-OE2 3.31Å; T225-E227 PolarHBondContact O-N 3.43Å; T225-E227 VanDerWaalsContact O-N 3.16Å; T225-E227 PolarHBondContact OG1-OE2 3.02Å; T225-H228 PolarHBondContact O-N 3.22Å; T225-H228 VanDerWaalsContact O-N 3.16Å; T225-H228 PolarHBondContact OG1-N 3.28Å; T225-H228 PolarHBondContact OG1-ND1 3.19Å; T225-F229 PolarHBondContact O-N 3.37Å | ||
| 226 | P | 93.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 37 Ų | 37 | 14% | 0.143 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52.7 | -32.3 | 174.2 | -29.9 | 38.5 | 0 | 0 | 0 | 114.2 | F229 V230 P291 F292 L295 | P226-F229 WeakPolarHBondContact O-CB 3.46Å; P226-F229 PolarHBondContact O-N 3.13Å; P226-V230 WeakPolarHBondContact O-CG2 3.49Å; P226-V230 PolarHBondContact O-N 3.45Å; P226-V230 VanDerWaalsContact O-N 3.15Å; P226-P291 HydrophobicContact CG-CB 3.86Å; P226-F292 HydrophobicContact CB-CD1 4.23Å; P226-F292 HydrophobicContact CB-CE1 4.42Å; P226-F292 HydrophobicContact CB-CG 4.44Å; P226-F292 HydrophobicContact CG-CD1 4.23Å; P226-F292 HydrophobicContact CG-CD2 4.15Å; P226-F292 HydrophobicContact CG-CE1 4.16Å; P226-F292 HydrophobicContact CG-CE2 4.07Å; P226-F292 HydrophobicContact CG-CG 4.24Å; P226-F292 HydrophobicContact CG-CZ 4.08Å; P226-L295 HydrophobicContact CB-CD2 3.84Å |
| 227 | E | 95.4 | Very high | 93.2 | Very high | 107 Ų | 107 | 38.8 Ų | 38.8 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.1 | -47.9 | 177.8 | -58.9 | 71.5 | -153.9 | 0 | 0 | 111.6 | T225 F229 V230 E231 L295 | T225-E227 WeakPolarHBondContact CB-OE2 3.31Å; T225-E227 PolarHBondContact O-N 3.43Å; T225-E227 VanDerWaalsContact O-N 3.16Å; T225-E227 PolarHBondContact OG1-OE2 3.02Å; E227-F229 PolarHBondContact O-N 3.04Å; E227-V230 WeakPolarHBondContact O-CB 3.23Å; E227-V230 PolarHBondContact O-N 3.44Å; E227-V230 VanDerWaalsContact O-N 3.11Å; E227-E231 PolarHBondContact O-N 2.85Å; E227-E231 VanDerWaalsContact O-N 3.15Å; E227-L295 HydrophobicContact CG-CD2 4.13Å |
| 228 | H | 93.9 | Very high | 93.6 | Very high | 90 Ų | 90 | 39.1 Ų | 39.1 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65 | -31.9 | 176.2 | -67.4 | 89.7 | 0 | 0 | 0 | 111.5 | M224 T225 V230 E231 W232 | M224-H228 HydrophobicContact CB-CB 4.31Å; T225-H228 PolarHBondContact O-N 3.22Å; T225-H228 VanDerWaalsContact O-N 3.16Å; T225-H228 PolarHBondContact OG1-N 3.28Å; T225-H228 PolarHBondContact OG1-ND1 3.19Å; H228-V230 VanDerWaalsContact C-N 3.33Å; H228-V230 PolarHBondContact O-N 2.93Å; H228-E231 IonicContact CD2-OE2 3.38Å; H228-E231 PolarHBondContact CD2-OE2 3.48Å; H228-E231 IonicContact CG-OE2 3.17Å; H228-E231 WeakPolarHBondContact O-CB 3.43Å; H228-E231 PolarHBondContact O-N 3.09Å; H228-W232 VanDerWaalsContact O-CD1 3.27Å; H228-W232 PolarHBondContact O-N 3.17Å; H228-W232 VanDerWaalsContact O-N 3.09Å |
| 229 | F | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 172.6 | 176.4 | -108.9 | 0 | 0 | 0 | 111.8 | F211 L219 M224 T225 P226 E227 E231 W232 M233 M275 F279 F292 Y296 | F211-F229 HydrophobicContact CZ-CD2 4.45Å; L219-F229 HydrophobicContact CD2-CD2 4.16Å; L219-F229 HydrophobicContact CD2-CE2 4.2Å; M224-F229 HydrophobicContact CG-CB 4.2Å; M224-F229 HydrophobicContact SD-CB 3.84Å; M224-F229 HydrophobicContact SD-CD2 4.17Å; T225-F229 PolarHBondContact O-N 3.37Å; P226-F229 WeakPolarHBondContact O-CB 3.46Å; P226-F229 PolarHBondContact O-N 3.13Å; E227-F229 PolarHBondContact O-N 3.04Å; F229-E231 VanDerWaalsContact C-N 3.31Å; F229-E231 PolarHBondContact O-N 3.17Å; F229-W232 PolarHBondContact O-N 3.01Å; F229-M233 HydrophobicContact CD1-CG 4.45Å; F229-M233 HydrophobicContact CD2-CE 4.41Å; F229-M233 HydrophobicContact CE1-CG 4.05Å; F229-M233 HydrophobicContact CE2-CE 3.79Å; F229-M233 HydrophobicContact CE2-CG 4.27Å; F229-M233 HydrophobicContact CE2-SD 4.22Å; F229-M233 HydrophobicContact CZ-CE 4.17Å; F229-M233 HydrophobicContact CZ-CG 3.93Å; F229-M233 HydrophobicContact CZ-SD 3.97Å; F229-M233 WeakPolarHBondContact O-CG 3.36Å; F229-M233 PolarHBondContact O-N 3.13Å; F229-M275 HydrophobicContact CE2-CG 4.39Å; F229-M275 HydrophobicContact CE2-SD 3.83Å; F229-M275 HydrophobicContact CZ-CB 4.35Å; F229-M275 HydrophobicContact CZ-CG 4.03Å; F229-M275 HydrophobicContact CZ-SD 3.66Å; F229-F279 AromaticContact CE1-CD2 3.84Å; F229-F279 HydrophobicContact CE1-CD2 3.84Å; F229-F279 AromaticContact CE1-CE2 3.86Å; F229-F279 HydrophobicContact CE1-CE2 3.86Å; F229-F279 HydrophobicContact CE2-CE2 4.32Å; F229-F279 AromaticContact CZ-CD2 3.73Å; F229-F279 HydrophobicContact CZ-CD2 3.73Å; F229-F279 AromaticContact CZ-CE2 3.52Å; F229-F279 HydrophobicContact CZ-CE2 3.52Å; F229-F292 HydrophobicContact CB-CD1 3.87Å; F229-F292 HydrophobicContact CB-CE1 3.93Å; F229-F292 AromaticContact CD1-CD1 3.9Å; F229-F292 HydrophobicContact CD1-CD1 3.9Å; F229-F292 AromaticContact CG-CD1 3.89Å; F229-F292 HydrophobicContact CG-CD1 3.89Å; F229-F292 HydrophobicContact CG-CE1 4.32Å; F229-Y296 AromaticContact CE1-CD2 3.67Å; F229-Y296 HydrophobicContact CE1-CD2 3.67Å; F229-Y296 HydrophobicContact CE1-CG 4.29Å; F229-Y296 HydrophobicContact CZ-CD2 4.18Å |
| 230 | V | 96.7 | Very high | 94.8 | Very high | 24 Ų | 24 | 37 Ų | 37 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 174.3 | 168 | 0 | 0 | 0 | 0 | 111.6 | P226 E227 H228 W232 M233 E234 L295 N299 | P226-V230 WeakPolarHBondContact O-CG2 3.49Å; P226-V230 PolarHBondContact O-N 3.45Å; P226-V230 VanDerWaalsContact O-N 3.15Å; E227-V230 WeakPolarHBondContact O-CB 3.23Å; E227-V230 PolarHBondContact O-N 3.44Å; E227-V230 VanDerWaalsContact O-N 3.11Å; H228-V230 VanDerWaalsContact C-N 3.33Å; H228-V230 PolarHBondContact O-N 2.93Å; V230-W232 PolarHBondContact O-N 3.16Å; V230-M233 PolarHBondContact O-N 3.14Å; V230-E234 PolarHBondContact O-N 2.94Å; V230-L295 HydrophobicContact CG2-CB 3.89Å; V230-L295 HydrophobicContact CG2-CD2 4.23Å; V230-N299 HydrophobicContact CG1-CB 3.93Å; V230-N299 HydrophobicContact CG2-CB 4.47Å |
| 231 | E | 96.7 | Very high | 95.1 | Very high | 80 Ų | 80 | 40 Ų | 40 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.1 | -44 | 175.5 | -65.7 | 177.3 | 154.1 | 0 | 0 | 111.9 | Y186 E227 H228 F229 M233 E234 L235 | Y186-E231 HydrophobicContact CE2-CB 3.84Å; E227-E231 PolarHBondContact O-N 2.85Å; E227-E231 VanDerWaalsContact O-N 3.15Å; H228-E231 IonicContact CD2-OE2 3.38Å; H228-E231 PolarHBondContact CD2-OE2 3.48Å; H228-E231 IonicContact CG-OE2 3.17Å; H228-E231 WeakPolarHBondContact O-CB 3.43Å; H228-E231 PolarHBondContact O-N 3.09Å; F229-E231 VanDerWaalsContact C-N 3.31Å; F229-E231 PolarHBondContact O-N 3.17Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.24Å; E231-E234 PolarHBondContact O-N 3.04Å; E231-L235 WeakPolarHBondContact O-CB 3.29Å; E231-L235 PolarHBondContact O-N 3.21Å |
| 232 | W | 97.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 174.4 | -84.9 | 102.3 | 0 | 0 | 0 | 113 | L182 L185 Y186 I207 F211 H228 F229 V230 L235 A236 | L182-W232 HydrophobicContact CD2-CZ2 4.09Å; L185-W232 HydrophobicContact CB-CH2 3.98Å; L185-W232 HydrophobicContact CB-CZ2 4.15Å; Y186-W232 HydrophobicContact CD2-CD2 4.12Å; Y186-W232 AromaticContact CD2-CE2 3.97Å; Y186-W232 HydrophobicContact CD2-CG 4.4Å; Y186-W232 HydrophobicContact CD2-CZ2 4.34Å; I207-W232 HydrophobicContact CG2-CH2 3.78Å; I207-W232 HydrophobicContact CG2-CZ3 3.94Å; F211-W232 HydrophobicContact CB-CE3 4.37Å; F211-W232 HydrophobicContact CB-CZ3 4.14Å; F211-W232 HydrophobicContact CD1-CD2 4.47Å; F211-W232 HydrophobicContact CD1-CE3 4.1Å; F211-W232 AromaticContact CD2-CD2 3.72Å; F211-W232 HydrophobicContact CD2-CD2 3.72Å; F211-W232 AromaticContact CD2-CE2 3.9Å; F211-W232 AromaticContact CD2-CE3 3.83Å; F211-W232 HydrophobicContact CD2-CE3 3.83Å; F211-W232 HydrophobicContact CD2-CG 4.21Å; F211-W232 HydrophobicContact CD2-CH2 4.31Å; F211-W232 HydrophobicContact CD2-CZ2 4.2Å; F211-W232 HydrophobicContact CD2-CZ3 4.13Å; F211-W232 HydrophobicContact CE1-CB 3.92Å; F211-W232 HydrophobicContact CE1-CD2 4.36Å; F211-W232 HydrophobicContact CE1-CE3 4.36Å; F211-W232 HydrophobicContact CE1-CG 4.2Å; F211-W232 HydrophobicContact CE2-CB 4.08Å; F211-W232 AromaticContact CE2-CD1 3.78Å; F211-W232 AromaticContact CE2-CD2 3.56Å; F211-W232 HydrophobicContact CE2-CD2 3.56Å; F211-W232 AromaticContact CE2-CE2 3.83Å; F211-W232 HydrophobicContact CE2-CE3 4.08Å; F211-W232 AromaticContact CE2-CG 3.54Å; F211-W232 HydrophobicContact CE2-CG 3.54Å; F211-W232 AromaticContact CE2-NE1 3.95Å; F211-W232 HydrophobicContact CG-CD2 4.16Å; F211-W232 AromaticContact CG-CE3 3.82Å; F211-W232 HydrophobicContact CG-CE3 3.82Å; F211-W232 HydrophobicContact CG-CZ3 4.07Å; F211-W232 HydrophobicContact CZ-CB 3.54Å; F211-W232 AromaticContact CZ-CD2 3.91Å; F211-W232 HydrophobicContact CZ-CD2 3.91Å; F211-W232 HydrophobicContact CZ-CE3 4.36Å; F211-W232 AromaticContact CZ-CG 3.55Å; F211-W232 HydrophobicContact CZ-CG 3.55Å; H228-W232 VanDerWaalsContact O-CD1 3.27Å; H228-W232 PolarHBondContact O-N 3.17Å; H228-W232 VanDerWaalsContact O-N 3.09Å; F229-W232 PolarHBondContact O-N 3.01Å; V230-W232 PolarHBondContact O-N 3.16Å; W232-L235 WeakPolarHBondContact O-CB 3.29Å; W232-L235 PolarHBondContact O-N 3.41Å; W232-A236 PolarHBondContact O-N 3.49Å |
| 233 | M | 97.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.1 | -40.6 | 177.1 | -67.1 | -58.2 | 100.2 | 0 | 0 | 112.2 | F211 F229 V230 E231 L235 A236 R237 L271 M275 Y296 C300 | F211-M233 HydrophobicContact CE1-CE 3.59Å; F211-M233 HydrophobicContact CZ-CE 4.25Å; F229-M233 HydrophobicContact CD1-CG 4.45Å; F229-M233 HydrophobicContact CD2-CE 4.41Å; F229-M233 HydrophobicContact CE1-CG 4.05Å; F229-M233 HydrophobicContact CE2-CE 3.79Å; F229-M233 HydrophobicContact CE2-CG 4.27Å; F229-M233 HydrophobicContact CE2-SD 4.22Å; F229-M233 HydrophobicContact CZ-CE 4.17Å; F229-M233 HydrophobicContact CZ-CG 3.93Å; F229-M233 HydrophobicContact CZ-SD 3.97Å; F229-M233 WeakPolarHBondContact O-CG 3.36Å; F229-M233 PolarHBondContact O-N 3.13Å; V230-M233 PolarHBondContact O-N 3.14Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.24Å; M233-L235 VanDerWaalsContact C-N 3.3Å; M233-A236 PolarHBondContact O-N 3.08Å; M233-R237 PolarHBondContact O-N 2.94Å; M233-L271 HydrophobicContact CE-CD1 4.17Å; M233-L271 HydrophobicContact CE-CD2 4.02Å; M233-L271 HydrophobicContact CE-CG 4.08Å; M233-M275 HydrophobicContact CE-CG 4.05Å; M233-M275 HydrophobicContact SD-CB 3.81Å; M233-M275 HydrophobicContact SD-CG 3.6Å; M233-Y296 HydrophobicContact CB-CE2 4.41Å; M233-Y296 HydrophobicContact CG-CD2 3.85Å; M233-Y296 HydrophobicContact CG-CE2 3.75Å; M233-Y296 HydrophobicContact SD-CD2 4.39Å; M233-Y296 HydrophobicContact SD-CE2 3.81Å; M233-C300 HydrophobicContact CB-CB 4.09Å |
| 234 | E | 97.5 | Very high | 95.5 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64 | -39.5 | 173.8 | 175.9 | 51.8 | -154.5 | 0 | 0 | 111 | V230 E231 R237 Q238 | V230-E234 PolarHBondContact O-N 2.94Å; E231-E234 PolarHBondContact O-N 3.04Å; E234-R237 WeakPolarHBondContact O-CB 3.42Å; E234-R237 PolarHBondContact O-N 3.42Å; E234-R237 IonicContact OE1-CZ 3.42Å; E234-R237 IonicContact OE1-NE 3.27Å; E234-R237 PolarHBondContact OE1-NE 2.94Å; E234-R237 IonicContact OE1-NH2 3.81Å; E234-R237 PolarHBondContact OE1-NH2 3.35Å; E234-R237 IonicContact OE2-CZ 3.73Å; E234-R237 IonicContact OE2-NE 2.83Å; E234-R237 PolarHBondContact OE2-NE 3.07Å; E234-R237 IonicContact OE2-NH2 2.99Å; E234-Q238 WeakPolarHBondContact O-CG 3.38Å; E234-Q238 PolarHBondContact O-N 2.93Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.21Å; E234-Q238 PolarHBondContact OE1-NE2 3.16Å |
| 235 | L | 96.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 173.7 | -170.3 | 151.6 | 0 | 0 | 0 | 111.5 | Y186 M189 I208 E231 W232 M233 R237 Q238 V239 | Y186-L235 HydrophobicContact CD2-CD1 3.78Å; Y186-L235 HydrophobicContact CE2-CB 4.31Å; Y186-L235 HydrophobicContact CE2-CD1 3.61Å; M189-L235 HydrophobicContact CB-CD1 3.86Å; M189-L235 HydrophobicContact CE-CD2 3.61Å; M189-L235 HydrophobicContact CG-CD1 3.46Å; M189-L235 VanDerWaalsContact CG-CD1 3.46Å; M189-L235 HydrophobicContact CG-CD2 3.41Å; M189-L235 VanDerWaalsContact CG-CD2 3.41Å; M189-L235 HydrophobicContact CG-CG 3.94Å; M189-L235 HydrophobicContact SD-CD2 4.34Å; I208-L235 HydrophobicContact CD1-CD2 3.77Å; E231-L235 WeakPolarHBondContact O-CB 3.29Å; E231-L235 PolarHBondContact O-N 3.21Å; W232-L235 WeakPolarHBondContact O-CB 3.29Å; W232-L235 PolarHBondContact O-N 3.41Å; M233-L235 VanDerWaalsContact C-N 3.3Å; L235-R237 VanDerWaalsContact C-N 3.29Å; L235-R237 PolarHBondContact O-N 3.21Å; L235-Q238 PolarHBondContact O-N 3.4Å; L235-V239 HydrophobicContact CD2-CG2 4.07Å; L235-V239 WeakPolarHBondContact O-CG2 3.47Å; L235-V239 PolarHBondContact O-N 3.19Å |
| 236 | A | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W232 M233 V239 V240 L271 M272 | W232-A236 PolarHBondContact O-N 3.49Å; M233-A236 PolarHBondContact O-N 3.08Å; A236-V239 WeakPolarHBondContact O-CB 3.37Å; A236-V239 PolarHBondContact O-N 3.32Å; A236-V240 WeakPolarHBondContact O-CG2 3.28Å; A236-V240 PolarHBondContact O-N 2.95Å; A236-L271 HydrophobicContact CB-CD2 3.89Å; A236-M272 HydrophobicContact CB-CG 4.13Å |
| 237 | R | 98 | Very high | 94.4 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 16% | 0.158 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.6 | -170.1 | -161.6 | 70.4 | 74.1 | 10.6 | 111.9 | M233 E234 L235 V239 V240 E241 M272 T307 | M233-R237 PolarHBondContact O-N 2.94Å; E234-R237 WeakPolarHBondContact O-CB 3.42Å; E234-R237 PolarHBondContact O-N 3.42Å; E234-R237 IonicContact OE1-CZ 3.42Å; E234-R237 IonicContact OE1-NE 3.27Å; E234-R237 PolarHBondContact OE1-NE 2.94Å; E234-R237 IonicContact OE1-NH2 3.81Å; E234-R237 PolarHBondContact OE1-NH2 3.35Å; E234-R237 IonicContact OE2-CZ 3.73Å; E234-R237 IonicContact OE2-NE 2.83Å; E234-R237 PolarHBondContact OE2-NE 3.07Å; E234-R237 IonicContact OE2-NH2 2.99Å; L235-R237 VanDerWaalsContact C-N 3.29Å; L235-R237 PolarHBondContact O-N 3.21Å; R237-V239 VanDerWaalsContact C-N 3.34Å; R237-V239 PolarHBondContact O-N 3.35Å; R237-V240 WeakPolarHBondContact O-CB 3.3Å; R237-V240 PolarHBondContact O-N 3.49Å; R237-E241 IonicContact CZ-OE2 3.58Å; R237-E241 IonicContact NH1-OE1 2.82Å; R237-E241 PolarHBondContact NH1-OE1 3.03Å; R237-E241 IonicContact NH1-OE2 2.71Å; R237-E241 PolarHBondContact NH1-OE2 3.27Å; R237-E241 IonicContact NH2-OE2 2.74Å; R237-E241 PolarHBondContact O-N 2.88Å; R237-E241 VanDerWaalsContact O-N 3.16Å; R237-M272 HydrophobicContact CB-CE 4.21Å; R237-M272 HydrophobicContact CB-SD 4.41Å; R237-M272 HydrophobicContact CG-CE 4.16Å; R237-T307 HydrophobicContact CG-CG2 4.25Å; R237-T307 VanDerWaalsContact CG-OG1 3.26Å; R237-T307 WeakPolarHBondContact CG-OG1 3.46Å; R237-T307 PolarHBondContact NH1-OG1 2.86Å |
| 238 | Q | 97.1 | Very high | 94 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 38% | 0.383 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 178.3 | -70.8 | 174.5 | 17.7 | 0 | 0 | 112.6 | M193 E234 L235 V240 E241 Q242 | M193-Q238 HydrophobicContact CE-CB 3.77Å; E234-Q238 WeakPolarHBondContact O-CG 3.38Å; E234-Q238 PolarHBondContact O-N 2.93Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.21Å; E234-Q238 PolarHBondContact OE1-NE2 3.16Å; L235-Q238 PolarHBondContact O-N 3.4Å; Q238-V240 VanDerWaalsContact C-N 3.28Å; Q238-V240 PolarHBondContact O-N 2.91Å; Q238-E241 PolarHBondContact O-N 2.63Å; Q238-E241 VanDerWaalsContact O-N 3.12Å; Q238-Q242 PolarHBondContact O-N 3.14Å |
| 239 | V | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 173.9 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | M189 M193 I208 L235 A236 R237 E241 Q242 I264 A268 | M189-V239 HydrophobicContact CE-CG2 3.33Å; M193-V239 HydrophobicContact CE-CG2 4.11Å; M193-V239 HydrophobicContact SD-CG2 3.58Å; M193-V239 VanDerWaalsContact SD-CG2 3.58Å; I208-V239 HydrophobicContact CD1-CG2 4.42Å; L235-V239 HydrophobicContact CD2-CG2 4.07Å; L235-V239 WeakPolarHBondContact O-CG2 3.47Å; L235-V239 PolarHBondContact O-N 3.19Å; A236-V239 WeakPolarHBondContact O-CB 3.37Å; A236-V239 PolarHBondContact O-N 3.32Å; R237-V239 VanDerWaalsContact C-N 3.34Å; R237-V239 PolarHBondContact O-N 3.35Å; V239-E241 VanDerWaalsContact C-N 3.28Å; V239-E241 PolarHBondContact O-N 3.06Å; V239-Q242 WeakPolarHBondContact O-CB 3.47Å; V239-Q242 PolarHBondContact O-N 3Å; V239-I264 HydrophobicContact CG1-CB 4.49Å; V239-I264 HydrophobicContact CG1-CD1 3.61Å; V239-I264 HydrophobicContact CG1-CG1 3.54Å; V239-I264 HydrophobicContact CG1-CG2 4.36Å; V239-A268 HydrophobicContact CB-CB 4.05Å; V239-A268 HydrophobicContact CG1-CB 3.65Å |
| 240 | V | 96.9 | Very high | 93 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | A236 R237 Q238 K265 A268 M272 T307 M308 I311 | A236-V240 WeakPolarHBondContact O-CG2 3.28Å; A236-V240 PolarHBondContact O-N 2.95Å; R237-V240 WeakPolarHBondContact O-CB 3.3Å; R237-V240 PolarHBondContact O-N 3.49Å; Q238-V240 VanDerWaalsContact C-N 3.28Å; Q238-V240 PolarHBondContact O-N 2.91Å; V240-K265 PolarHBondContact O-NZ 3.46Å; V240-A268 HydrophobicContact CG2-CB 3.58Å; V240-M272 HydrophobicContact CB-SD 4.38Å; V240-M272 HydrophobicContact CG2-SD 3.7Å; V240-T307 HydrophobicContact CB-CG2 4.06Å; V240-T307 HydrophobicContact CG1-CG2 3.6Å; V240-M308 HydrophobicContact CG1-CE 4.05Å; V240-M308 HydrophobicContact CG1-SD 4.33Å; V240-M308 HydrophobicContact CG2-CE 4.1Å; V240-I311 HydrophobicContact CG1-CD1 3.19Å; V240-I311 HydrophobicContact CG1-CG1 4.47Å |
| 241 | E | 95.1 | Very high | 92.6 | Very high | 86 Ų | 86 | 56 Ų | 56 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -82.9 | -10.1 | 179.6 | -70.6 | -173.1 | 169.9 | 0 | 0 | 115.2 | R237 Q238 V239 T307 | R237-E241 IonicContact CZ-OE2 3.58Å; R237-E241 IonicContact NH1-OE1 2.82Å; R237-E241 PolarHBondContact NH1-OE1 3.03Å; R237-E241 IonicContact NH1-OE2 2.71Å; R237-E241 PolarHBondContact NH1-OE2 3.27Å; R237-E241 IonicContact NH2-OE2 2.74Å; R237-E241 PolarHBondContact O-N 2.88Å; R237-E241 VanDerWaalsContact O-N 3.16Å; Q238-E241 PolarHBondContact O-N 2.63Å; Q238-E241 VanDerWaalsContact O-N 3.12Å; V239-E241 VanDerWaalsContact C-N 3.28Å; V239-E241 PolarHBondContact O-N 3.06Å; E241-T307 HydrophobicContact CG-CG2 3.57Å; E241-T307 PolarHBondContact OE1-OG1 3.31Å |
| 242 | Q | 93.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 131.2 | -175.4 | -166.7 | 166.6 | 6.4 | 0 | 0 | 111.6 | M193 Q238 V239 K265 | M193-Q242 PolarHBondContact O-NE2 2.9Å; Q238-Q242 PolarHBondContact O-N 3.14Å; V239-Q242 WeakPolarHBondContact O-CB 3.47Å; V239-Q242 PolarHBondContact O-N 3Å; Q242-K265 WeakPolarHBondContact O-CE 3.45Å; Q242-K265 PolarHBondContact O-NZ 3.42Å |
| 243 | P | 90.6 | Very high | 91.3 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 147.4 | -179.6 | 26.9 | -34.3 | 0 | 0 | 0 | 111.4 | N196 | N196-P243 PolarHBondContact ND2-O 3.42Š|
| 244 | L | 89.8 | Confident | 90.6 | Very high | 55 Ų | 55 | 65.2 Ų | 65.2 | 29% | 0.288 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 141.1 | 174.9 | -66 | 158.3 | 0 | 0 | 0 | 109.6 | W261 W262 | L244-W261 HydrophobicContact CD2-CB 3.6Å; L244-W261 HydrophobicContact CD2-CG 4.43Å; L244-W262 HydrophobicContact CD1-CH2 3.5Å; L244-W262 HydrophobicContact CD1-CZ2 3.25Å; L244-W262 HydrophobicContact CD1-CZ3 4.32Å; L244-W262 HydrophobicContact CD2-CD2 4.42Å; L244-W262 HydrophobicContact CD2-CZ2 4.32Å; L244-W262 HydrophobicContact CG-CZ2 4.41Å |
| 245 | P | 89.3 | Confident | 90.2 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 142.5 | 168.2 | -19.2 | 30.6 | 0 | 0 | 0 | 111.3 | N196 E247 T248 W261 | N196-P245 WeakPolarHBondContact ND2-CD 3.42Å; P245-E247 PolarHBondContact O-N 3.46Å; P245-T248 HydrophobicContact CB-CG2 4.31Å; P245-T248 HydrophobicContact CG-CG2 4.32Å; P245-T248 WeakPolarHBondContact O-CB 3.36Å; P245-T248 WeakPolarHBondContact O-CG2 3.37Å; P245-T248 PolarHBondContact O-N 2.99Å; P245-T248 PolarHBondContact O-OG1 3.39Å; P245-W261 HydrophobicContact CG-CD2 4.27Å; P245-W261 HydrophobicContact CG-CZ2 3.87Å |
| 246 | E | 84.5 | Confident | 89.8 | Confident | 170 Ų | 170 | 68.7 Ų | 68.7 | 79% | 0.794 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -58.2 | -31.2 | 179.1 | -66.4 | -178 | 175.8 | 0 | 0 | 112.5 | T248 L249 | E246-T248 PolarHBondContact O-N 3.38Å; E246-T248 VanDerWaalsContact O-N 3.1Å; E246-L249 WeakPolarHBondContact O-CB 3.22Å; E246-L249 PolarHBondContact O-N 3.19Å |
| 247 | E | 85.8 | Confident | 89.4 | Confident | 152 Ų | 152 | 70.6 Ų | 70.6 | 71% | 0.71 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -56.7 | -25.8 | 176 | -62.9 | 164.3 | -170.5 | 0 | 0 | 113.1 | P245 L249 C250 | P245-E247 PolarHBondContact O-N 3.46Å; E247-L249 PolarHBondContact O-N 3.07Å; E247-C250 PolarHBondContact O-N 3.37Å |
| 248 | T | 86.6 | Confident | 89 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -68.9 | -20.8 | 177.5 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | P245 E246 C250 L259 W261 | P245-T248 HydrophobicContact CB-CG2 4.31Å; P245-T248 HydrophobicContact CG-CG2 4.32Å; P245-T248 WeakPolarHBondContact O-CB 3.36Å; P245-T248 WeakPolarHBondContact O-CG2 3.37Å; P245-T248 PolarHBondContact O-N 2.99Å; P245-T248 PolarHBondContact O-OG1 3.39Å; E246-T248 PolarHBondContact O-N 3.38Å; E246-T248 VanDerWaalsContact O-N 3.1Å; T248-C250 VanDerWaalsContact C-N 3.35Å; T248-L259 HydrophobicContact CG2-CD1 4.08Å; T248-W261 HydrophobicContact CG2-CD2 4.14Å; T248-W261 HydrophobicContact CG2-CE3 3.7Å; T248-W261 HydrophobicContact CG2-CZ3 4.02Å |
| 249 | L | 83.4 | Confident | 88.8 | Confident | 110 Ų | 110 | 71.7 Ų | 71.7 | 58% | 0.576 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -77.7 | -22.8 | 176.8 | -60.6 | 174.1 | 0 | 0 | 0 | 112.3 | E246 E247 V251 R256 | E246-L249 WeakPolarHBondContact O-CB 3.22Å; E246-L249 PolarHBondContact O-N 3.19Å; E247-L249 PolarHBondContact O-N 3.07Å; L249-V251 PolarHBondContact O-N 3.36Å; L249-R256 PolarHBondContact O-NH2 3.26Å |
| 250 | C | 85.5 | Confident | 88.7 | Confident | 119 Ų | 119 | 71.7 Ų | 71.7 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -78 | -7.6 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | E247 T248 | E247-C250 PolarHBondContact O-N 3.37Å; T248-C250 VanDerWaalsContact C-N 3.35Å |
| 251 | V | 87.6 | Confident | 88.6 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 26% | 0.261 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -84.2 | 141 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | L249 D255 R256 L259 | L249-V251 PolarHBondContact O-N 3.36Å; V251-D255 HydrophobicContact CG1-CB 3.69Å; V251-R256 HydrophobicContact CB-CG 4.22Å; V251-R256 HydrophobicContact CG1-CG 4.35Å; V251-R256 PolarHBondContact O-NE 2.9Å; V251-R256 PolarHBondContact O-NH2 2.99Å; V251-L259 HydrophobicContact CB-CD1 4.27Å; V251-L259 HydrophobicContact CG1-CD1 4.42Å; V251-L259 HydrophobicContact CG1-CD2 4.43Å; V251-L259 HydrophobicContact CG2-CD1 4.14Å; V251-L259 HydrophobicContact CG2-CD2 4.21Å |
| 252 | D | 86.2 | Confident | 88.5 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | trans | -51.5 | 134.7 | 175.2 | -169.2 | -76.8 | 0 | 0 | 0 | 111.1 | D254 D255 R256 | D252-D254 PolarHBondContact O-N 3.48Å; D252-D254 VanDerWaalsContact O-N 3.08Å; D252-D254 WeakPolarHBondContact OD1-CB 3.33Å; D252-D254 PolarHBondContact OD1-N 3.07Å; D252-D255 PolarHBondContact O-N 3.33Å; D252-R256 WeakPolarHBondContact O-CG 3.38Å; D252-R256 PolarHBondContact O-N 3.48Å; D252-R256 VanDerWaalsContact O-N 3.13Å | ||
| 253 | P | 80.7 | Confident | 88.6 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -36.7 | 178.7 | -29.8 | 36.6 | 0 | 0 | 0 | 114.9 | R256 P257 | P253-R256 PolarHBondContact O-N 2.83Å; P253-P257 WeakPolarHBondContact O-CD 3.36Å |
| 254 | D | 83 | Confident | 88.9 | Confident | 136 Ų | 136 | 66 Ų | 66 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -30.4 | -176.6 | -64.9 | -19.8 | 0 | 0 | 0 | 112.5 | D252 P257 | D252-D254 PolarHBondContact O-N 3.48Å; D252-D254 VanDerWaalsContact O-N 3.08Å; D252-D254 WeakPolarHBondContact OD1-CB 3.33Å; D252-D254 PolarHBondContact OD1-N 3.07Å; D254-P257 WeakPolarHBondContact O-CD 3.29Å |
| 255 | D | 88.5 | Confident | 89.2 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.4 | 178.2 | -79.4 | -36.8 | 0 | 0 | 0 | 113 | V251 D252 P257 Q258 | V251-D255 HydrophobicContact CG1-CB 3.69Å; D252-D255 PolarHBondContact O-N 3.33Å; D255-P257 VanDerWaalsContact C-CD 3.47Å; D255-Q258 VanDerWaalsContact O-CB 3.32Å; D255-Q258 WeakPolarHBondContact O-CB 3.36Å; D255-Q258 PolarHBondContact O-N 2.91Å |
| 256 | R | 90.3 | Very high | 89.5 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -53.5 | -44.1 | -179 | -74.3 | 174.2 | -167.2 | 174.5 | -2.2 | 113.5 | L249 V251 D252 P253 Q258 L259 Y320 | L249-R256 PolarHBondContact O-NH2 3.26Å; V251-R256 HydrophobicContact CB-CG 4.22Å; V251-R256 HydrophobicContact CG1-CG 4.35Å; V251-R256 PolarHBondContact O-NE 2.9Å; V251-R256 PolarHBondContact O-NH2 2.99Å; D252-R256 WeakPolarHBondContact O-CG 3.38Å; D252-R256 PolarHBondContact O-N 3.48Å; D252-R256 VanDerWaalsContact O-N 3.13Å; P253-R256 PolarHBondContact O-N 2.83Å; R256-Q258 PolarHBondContact O-N 3.48Å; R256-L259 HydrophobicContact CB-CD1 4.41Å; R256-L259 HydrophobicContact CG-CD1 4.34Å; R256-L259 VanDerWaalsContact O-CB 3.28Å; R256-L259 WeakPolarHBondContact O-CB 3.24Å; R256-L259 VanDerWaalsContact O-CG 3.3Å; R256-L259 WeakPolarHBondContact O-CG 3.41Å; R256-L259 PolarHBondContact O-N 3.47Å; R256-Y320 HydrophobicContact CB-CE1 3.75Å; R256-Y320 HydrophobicContact CG-CE1 4.45Å |
| 257 | P | 88.3 | Confident | 90.1 | Very high | 41 Ų | 41 | 60.3 Ų | 60.3 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -55.8 | -23.5 | 176.1 | -25.5 | 34.7 | 0 | 0 | 0 | 114.3 | P253 D254 D255 L259 Y320 | P253-P257 WeakPolarHBondContact O-CD 3.36Å; D254-P257 WeakPolarHBondContact O-CD 3.29Å; D255-P257 VanDerWaalsContact C-CD 3.47Å; P257-L259 VanDerWaalsContact C-N 3.33Å; P257-Y320 WeakPolarHBondContact CD-OH 3.25Å; P257-Y320 WeakPolarHBondContact CG-OH 3.32Å |
| 258 | Q | 89.7 | Confident | 90.7 | Very high | 116 Ų | 116 | 53 Ų | 53 | 54% | 0.542 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -79.8 | -15 | 179.6 | -59.2 | -57.7 | -20.9 | 0 | 0 | 113.8 | D255 R256 K263 | D255-Q258 VanDerWaalsContact O-CB 3.32Å; D255-Q258 WeakPolarHBondContact O-CB 3.36Å; D255-Q258 PolarHBondContact O-N 2.91Å; R256-Q258 PolarHBondContact O-N 3.48Å; Q258-K263 WeakPolarHBondContact O-CD 3.46Å; Q258-K263 WeakPolarHBondContact O-CE 3.42Å; Q258-K263 PolarHBondContact O-NZ 3.22Å |
| 259 | L | 93.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -64.9 | 142.7 | 179.7 | -60.1 | 175.3 | 0 | 0 | 0 | 111.9 | T248 V251 R256 P257 W261 W262 K263 | T248-L259 HydrophobicContact CG2-CD1 4.08Å; V251-L259 HydrophobicContact CB-CD1 4.27Å; V251-L259 HydrophobicContact CG1-CD1 4.42Å; V251-L259 HydrophobicContact CG1-CD2 4.43Å; V251-L259 HydrophobicContact CG2-CD1 4.14Å; V251-L259 HydrophobicContact CG2-CD2 4.21Å; R256-L259 HydrophobicContact CB-CD1 4.41Å; R256-L259 HydrophobicContact CG-CD1 4.34Å; R256-L259 VanDerWaalsContact O-CB 3.28Å; R256-L259 WeakPolarHBondContact O-CB 3.24Å; R256-L259 VanDerWaalsContact O-CG 3.3Å; R256-L259 WeakPolarHBondContact O-CG 3.41Å; R256-L259 PolarHBondContact O-N 3.47Å; P257-L259 VanDerWaalsContact C-N 3.33Å; L259-W261 VanDerWaalsContact C-N 3.28Å; L259-W261 HydrophobicContact CB-CE3 4.07Å; L259-W261 HydrophobicContact CD2-CZ3 4.5Å; L259-W261 PolarHBondContact O-N 2.91Å; L259-W262 PolarHBondContact O-N 2.7Å; L259-K263 PolarHBondContact O-N 2.66Å; L259-K263 VanDerWaalsContact O-N 3.1Å |
| 260 | V | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -33.7 | -174.5 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | Q198 V201 Y202 K205 W262 K263 I264 | Q198-V260 HydrophobicContact CG-CG1 3.84Å; V201-V260 HydrophobicContact CB-CG1 3.99Å; V201-V260 HydrophobicContact CG1-CB 4.45Å; V201-V260 HydrophobicContact CG1-CG1 3.87Å; V201-V260 HydrophobicContact CG1-CG2 4.07Å; Y202-V260 HydrophobicContact CD1-CB 4.41Å; Y202-V260 HydrophobicContact CD1-CG2 3.53Å; Y202-V260 HydrophobicContact CD2-CB 4.18Å; Y202-V260 HydrophobicContact CD2-CG1 4.3Å; Y202-V260 HydrophobicContact CD2-CG2 3.89Å; Y202-V260 HydrophobicContact CE1-CB 4.2Å; Y202-V260 HydrophobicContact CE1-CG2 3.72Å; Y202-V260 HydrophobicContact CE2-CB 3.97Å; Y202-V260 HydrophobicContact CE2-CG1 4.29Å; Y202-V260 HydrophobicContact CE2-CG2 4.08Å; Y202-V260 HydrophobicContact CG-CB 4.37Å; Y202-V260 HydrophobicContact CG-CG2 3.59Å; K205-V260 HydrophobicContact CD-CG2 4.16Å; V260-W262 PolarHBondContact O-N 3.02Å; V260-K263 PolarHBondContact O-N 3.09Å; V260-I264 PolarHBondContact O-N 3.47Å |
| 261 | W | 95.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 177.9 | -59.1 | -91.5 | 0 | 0 | 0 | 112.9 | N196 Q198 V201 L244 P245 T248 L259 I264 K265 | N196-W261 PolarHBondContact O-NE1 2.93Å; N196-W261 PolarHBondContact OD1-NE1 3.42Å; Q198-W261 HydrophobicContact CB-CH2 3.86Å; Q198-W261 HydrophobicContact CB-CZ2 4.08Å; Q198-W261 HydrophobicContact CG-CH2 4Å; Q198-W261 HydrophobicContact CG-CZ3 4.47Å; V201-W261 HydrophobicContact CG1-CG 4.3Å; L244-W261 HydrophobicContact CD2-CB 3.6Å; L244-W261 HydrophobicContact CD2-CG 4.43Å; P245-W261 HydrophobicContact CG-CD2 4.27Å; P245-W261 HydrophobicContact CG-CZ2 3.87Å; T248-W261 HydrophobicContact CG2-CD2 4.14Å; T248-W261 HydrophobicContact CG2-CE3 3.7Å; T248-W261 HydrophobicContact CG2-CZ3 4.02Å; L259-W261 VanDerWaalsContact C-N 3.28Å; L259-W261 HydrophobicContact CB-CE3 4.07Å; L259-W261 HydrophobicContact CD2-CZ3 4.5Å; L259-W261 PolarHBondContact O-N 2.91Å; W261-I264 VanDerWaalsContact O-CG2 3.23Å; W261-I264 WeakPolarHBondContact O-CG2 3.4Å; W261-K265 WeakPolarHBondContact O-CG 3.48Å; W261-K265 PolarHBondContact O-N 3.08Å |
| 262 | W | 94.2 | Very high | 92.8 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.9 | -40.5 | 172.9 | -73.1 | 119.6 | 0 | 0 | 0 | 111.6 | L244 L259 V260 I264 K265 K266 Y320 V321 T322 L325 | L244-W262 HydrophobicContact CD1-CH2 3.5Å; L244-W262 HydrophobicContact CD1-CZ2 3.25Å; L244-W262 HydrophobicContact CD1-CZ3 4.32Å; L244-W262 HydrophobicContact CD2-CD2 4.42Å; L244-W262 HydrophobicContact CD2-CZ2 4.32Å; L244-W262 HydrophobicContact CG-CZ2 4.41Å; L259-W262 PolarHBondContact O-N 2.7Å; V260-W262 PolarHBondContact O-N 3.02Å; W262-I264 PolarHBondContact O-N 2.97Å; W262-K265 HydrophobicContact CE3-CD 4.1Å; W262-K265 HydrophobicContact CZ3-CD 4.19Å; W262-K265 PolarHBondContact O-N 3.34Å; W262-K266 WeakPolarHBondContact O-CB 3.48Å; W262-K266 PolarHBondContact O-N 2.93Å; W262-Y320 AromaticContact CE2-CE1 3.97Å; W262-Y320 HydrophobicContact CH2-CD1 4.44Å; W262-Y320 WeakPolarHBondContact CH2-O 3.42Å; W262-Y320 AromaticContact CZ2-CD1 3.65Å; W262-Y320 HydrophobicContact CZ2-CD1 3.65Å; W262-Y320 HydrophobicContact CZ2-CE1 4Å; W262-Y320 WeakPolarHBondContact CZ2-O 3.44Å; W262-Y320 AromaticContact NE1-CE1 3.96Å; W262-V321 HydrophobicContact CZ3-CG1 4.27Å; W262-T322 HydrophobicContact CB-CG2 4.08Å; W262-T322 HydrophobicContact CD2-CG2 3.89Å; W262-T322 HydrophobicContact CE3-CG2 3.51Å; W262-T322 HydrophobicContact CG-CG2 4.16Å; W262-T322 HydrophobicContact CZ3-CG2 4.23Å; W262-L325 HydrophobicContact CE3-CD2 4.02Å; W262-L325 HydrophobicContact CZ3-CD2 3.75Å |
| 263 | K | 95 | Very high | 93.3 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 23% | 0.226 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.9 | -72.4 | 173.1 | 171.5 | 160.4 | 0 | 112 | K205 Q258 L259 V260 W267 | K205-K263 HydrophobicContact CD-CB 3.83Å; Q258-K263 WeakPolarHBondContact O-CD 3.46Å; Q258-K263 WeakPolarHBondContact O-CE 3.42Å; Q258-K263 PolarHBondContact O-NZ 3.22Å; L259-K263 PolarHBondContact O-N 2.66Å; L259-K263 VanDerWaalsContact O-N 3.1Å; V260-K263 PolarHBondContact O-N 3.09Å; K263-W267 PolarHBondContact O-N 3.46Å |
| 264 | I | 96.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -44.3 | 178.9 | -168 | 178.3 | 0 | 0 | 0 | 112.1 | M189 V201 Q204 K205 V239 V260 W261 W262 K266 W267 A268 | M189-I264 HydrophobicContact CE-CD1 4.44Å; V201-I264 HydrophobicContact CG1-CB 4.27Å; V201-I264 HydrophobicContact CG1-CD1 4.48Å; V201-I264 HydrophobicContact CG1-CG2 3.66Å; Q204-I264 HydrophobicContact CB-CD1 3.39Å; K205-I264 HydrophobicContact CB-CB 4.07Å; K205-I264 HydrophobicContact CB-CD1 4.48Å; K205-I264 HydrophobicContact CB-CG1 4.18Å; K205-I264 HydrophobicContact CG-CB 4.36Å; V239-I264 HydrophobicContact CG1-CB 4.49Å; V239-I264 HydrophobicContact CG1-CD1 3.61Å; V239-I264 HydrophobicContact CG1-CG1 3.54Å; V239-I264 HydrophobicContact CG1-CG2 4.36Å; V260-I264 PolarHBondContact O-N 3.47Å; W261-I264 VanDerWaalsContact O-CG2 3.23Å; W261-I264 WeakPolarHBondContact O-CG2 3.4Å; W262-I264 PolarHBondContact O-N 2.97Å; I264-K266 VanDerWaalsContact C-N 3.28Å; I264-K266 PolarHBondContact O-N 2.91Å; I264-W267 PolarHBondContact O-N 3.09Å; I264-W267 VanDerWaalsContact O-N 3.09Å; I264-A268 PolarHBondContact O-N 2.85Å |
| 265 | K | 96.7 | Very high | 94.5 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 10% | 0.096 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.7 | -73.6 | 172 | 176 | -92.1 | 0 | 111.1 | V240 Q242 W261 W262 W267 A268 G269 L325 | V240-K265 PolarHBondContact O-NZ 3.46Å; Q242-K265 WeakPolarHBondContact O-CE 3.45Å; Q242-K265 PolarHBondContact O-NZ 3.42Å; W261-K265 WeakPolarHBondContact O-CG 3.48Å; W261-K265 PolarHBondContact O-N 3.08Å; W262-K265 HydrophobicContact CE3-CD 4.1Å; W262-K265 HydrophobicContact CZ3-CD 4.19Å; W262-K265 PolarHBondContact O-N 3.34Å; K265-W267 PolarHBondContact O-N 2.98Å; K265-A268 PolarHBondContact O-N 3.19Å; K265-G269 PolarHBondContact O-N 2.8Å; K265-L325 HydrophobicContact CB-CD1 4.26Å; K265-L325 HydrophobicContact CB-CD2 3.84Å; K265-L325 HydrophobicContact CD-CD2 4.23Å |
| 266 | K | 94.6 | Very high | 94.8 | Very high | 68 Ų | 68 | 28.8 Ų | 28.8 | 30% | 0.296 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -57 | -48.4 | 173.7 | -177.3 | -172.4 | 71.9 | 174.8 | 0 | 112 | W262 I264 G269 R270 R324 | W262-K266 WeakPolarHBondContact O-CB 3.48Å; W262-K266 PolarHBondContact O-N 2.93Å; I264-K266 VanDerWaalsContact C-N 3.28Å; I264-K266 PolarHBondContact O-N 2.91Å; K266-G269 PolarHBondContact O-N 2.99Å; K266-R270 WeakPolarHBondContact O-CB 3.21Å; K266-R270 PolarHBondContact O-N 2.94Å; K266-R324 HydrophobicContact CD-CB 3.88Å; K266-R324 HydrophobicContact CG-CB 4.45Å |
| 267 | W | 96.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 30.4 Ų | 30.4 | 15% | 0.152 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -40.5 | -178.8 | -80.8 | 109.2 | 0 | 0 | 0 | 112.8 | I208 K209 Y212 K263 I264 K265 G269 R270 L271 | I208-W267 HydrophobicContact CG2-CB 3.97Å; K209-W267 HydrophobicContact CD-CD2 4.04Å; K209-W267 HydrophobicContact CD-CG 4.2Å; K209-W267 HydrophobicContact CD-CZ2 4.01Å; K209-W267 HydrophobicContact CG-CB 4.27Å; K209-W267 HydrophobicContact CG-CD2 3.48Å; K209-W267 VanDerWaalsContact CG-CD2 3.48Å; K209-W267 HydrophobicContact CG-CE3 3.99Å; K209-W267 HydrophobicContact CG-CG 3.57Å; K209-W267 HydrophobicContact CG-CZ2 4.24Å; Y212-W267 AromaticContact CD1-CE3 3.95Å; Y212-W267 HydrophobicContact CD1-CE3 3.95Å; Y212-W267 AromaticContact CD1-CZ3 3.5Å; Y212-W267 HydrophobicContact CD1-CZ3 3.5Å; Y212-W267 HydrophobicContact CE1-CE3 4.39Å; Y212-W267 AromaticContact CE1-CZ3 3.67Å; Y212-W267 HydrophobicContact CE1-CZ3 3.67Å; Y212-W267 HydrophobicContact CG-CE3 4.24Å; Y212-W267 HydrophobicContact CG-CZ3 4.24Å; K263-W267 PolarHBondContact O-N 3.46Å; I264-W267 PolarHBondContact O-N 3.09Å; I264-W267 VanDerWaalsContact O-N 3.09Å; K265-W267 PolarHBondContact O-N 2.98Å; W267-G269 VanDerWaalsContact C-N 3.34Å; W267-R270 PolarHBondContact O-N 3.35Å; W267-L271 PolarHBondContact O-N 3.19Å |
| 268 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I208 V239 V240 I264 K265 L271 M272 | I208-A268 HydrophobicContact CG2-CB 4.29Å; V239-A268 HydrophobicContact CB-CB 4.05Å; V239-A268 HydrophobicContact CG1-CB 3.65Å; V240-A268 HydrophobicContact CG2-CB 3.58Å; I264-A268 PolarHBondContact O-N 2.85Å; K265-A268 PolarHBondContact O-N 3.19Å; A268-L271 WeakPolarHBondContact O-CB 3.44Å; A268-L271 PolarHBondContact O-N 2.92Å; A268-M272 VanDerWaalsContact O-CG 3.28Å; A268-M272 WeakPolarHBondContact O-CG 3.35Å; A268-M272 PolarHBondContact O-N 3.39Å |
| 269 | G | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K265 K266 W267 M272 G273 | K265-G269 PolarHBondContact O-N 2.8Å; K266-G269 PolarHBondContact O-N 2.99Å; W267-G269 VanDerWaalsContact C-N 3.34Å; G269-M272 PolarHBondContact O-N 2.91Å; G269-G273 PolarHBondContact O-N 3.43Å |
| 270 | R | 95.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 24.6 Ų | 24.6 | 27% | 0.268 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 172.7 | -170 | -178 | -175.1 | 178.8 | 1.6 | 111.4 | Y212 K266 W267 G273 R274 | Y212-R270 HydrophobicContact CE2-CB 4.47Å; Y212-R270 HydrophobicContact CE2-CG 3.76Å; Y212-R270 VanDerWaalsContact OH-CZ 3.31Å; Y212-R270 PolarHBondContact OH-NE 2.93Å; Y212-R270 PolarHBondContact OH-NH2 2.88Å; K266-R270 WeakPolarHBondContact O-CB 3.21Å; K266-R270 PolarHBondContact O-N 2.94Å; W267-R270 PolarHBondContact O-N 3.35Å; R270-G273 PolarHBondContact O-N 2.71Å; R270-R274 WeakPolarHBondContact O-CB 3.45Å; R270-R274 PolarHBondContact O-N 2.96Å |
| 271 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -50.2 | 174.8 | 173.6 | 63.3 | 0 | 0 | 0 | 111.6 | F211 Y212 V215 M233 A236 W267 A268 G273 R274 M275 | F211-L271 HydrophobicContact CD1-CD1 4.11Å; F211-L271 HydrophobicContact CD1-CD2 3.64Å; F211-L271 HydrophobicContact CE1-CD1 4.15Å; F211-L271 HydrophobicContact CE1-CD2 3.99Å; Y212-L271 HydrophobicContact CD2-CB 3.97Å; Y212-L271 HydrophobicContact CD2-CD1 4.13Å; V215-L271 HydrophobicContact CG2-CD1 3.84Å; M233-L271 HydrophobicContact CE-CD1 4.17Å; M233-L271 HydrophobicContact CE-CD2 4.02Å; M233-L271 HydrophobicContact CE-CG 4.08Å; A236-L271 HydrophobicContact CB-CD2 3.89Å; W267-L271 PolarHBondContact O-N 3.19Å; A268-L271 WeakPolarHBondContact O-CB 3.44Å; A268-L271 PolarHBondContact O-N 2.92Å; L271-G273 VanDerWaalsContact C-N 3.31Å; L271-G273 PolarHBondContact O-N 2.95Å; L271-R274 PolarHBondContact O-N 3.29Å; L271-M275 HydrophobicContact CD1-CG 3.88Å; L271-M275 HydrophobicContact CG-CG 4.49Å; L271-M275 VanDerWaalsContact O-CG 3.29Å; L271-M275 WeakPolarHBondContact O-CG 3.36Å; L271-M275 PolarHBondContact O-N 3.37Å |
| 272 | M | 97.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 178.4 | -69.8 | 166.9 | 65.3 | 0 | 0 | 111.8 | A236 R237 V240 A268 G269 M275 L276 Y296 A304 M308 L332 | A236-M272 HydrophobicContact CB-CG 4.13Å; R237-M272 HydrophobicContact CB-CE 4.21Å; R237-M272 HydrophobicContact CB-SD 4.41Å; R237-M272 HydrophobicContact CG-CE 4.16Å; V240-M272 HydrophobicContact CB-SD 4.38Å; V240-M272 HydrophobicContact CG2-SD 3.7Å; A268-M272 VanDerWaalsContact O-CG 3.28Å; A268-M272 WeakPolarHBondContact O-CG 3.35Å; A268-M272 PolarHBondContact O-N 3.39Å; G269-M272 PolarHBondContact O-N 2.91Å; M272-M275 PolarHBondContact O-N 3.28Å; M272-L276 WeakPolarHBondContact O-CB 3.31Å; M272-L276 PolarHBondContact O-N 3.3Å; M272-Y296 PolarHBondContact O-OH 3.02Å; M272-A304 VanDerWaalsContact CE-CA 3.42Å; M272-A304 HydrophobicContact CE-CB 3.43Å; M272-A304 VanDerWaalsContact CE-CB 3.43Å; M272-M308 HydrophobicContact CB-CE 4.43Å; M272-M308 HydrophobicContact CE-CE 3.94Å; M272-M308 HydrophobicContact SD-CE 3.83Å; M272-L332 HydrophobicContact CB-CD1 3.82Å |
| 273 | G | 95.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 38 Ų | 38 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G269 R270 L271 L276 E277 | G269-G273 PolarHBondContact O-N 3.43Å; R270-G273 PolarHBondContact O-N 2.71Å; L271-G273 VanDerWaalsContact C-N 3.31Å; L271-G273 PolarHBondContact O-N 2.95Å; G273-L276 PolarHBondContact O-N 2.94Å; G273-E277 PolarHBondContact O-N 3.06Å |
| 274 | R | 95.2 | Very high | 92.9 | Very high | 69 Ų | 69 | 41.9 Ų | 41.9 | 26% | 0.26 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 178.3 | -172.8 | 56.7 | 172 | 179.3 | -5.7 | 112.4 | Y212 Q216 R270 L271 E277 R278 | Y212-R274 HydrophobicContact CE2-CB 4.28Å; Q216-R274 HydrophobicContact CB-CG 4.39Å; Q216-R274 PolarHBondContact O-NE 3.16Å; Q216-R274 PolarHBondContact O-NH2 2.98Å; R270-R274 WeakPolarHBondContact O-CB 3.45Å; R270-R274 PolarHBondContact O-N 2.96Å; L271-R274 PolarHBondContact O-N 3.29Å; R274-E277 IonicContact NH1-OE1 2.7Å; R274-E277 PolarHBondContact NH1-OE1 2.69Å; R274-E277 IonicContact NH1-OE2 3.54Å; R274-E277 PolarHBondContact NH1-OE2 2.97Å; R274-R278 PolarHBondContact O-N 3.43Å |
| 275 | M | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.4 | -33.7 | 178 | -63.2 | -60.1 | 99.3 | 0 | 0 | 111.8 | V215 F229 M233 L271 M272 R278 F279 Y296 | V215-M275 HydrophobicContact CG2-CE 3.97Å; V215-M275 HydrophobicContact CG2-SD 4.09Å; F229-M275 HydrophobicContact CE2-CG 4.39Å; F229-M275 HydrophobicContact CE2-SD 3.83Å; F229-M275 HydrophobicContact CZ-CB 4.35Å; F229-M275 HydrophobicContact CZ-CG 4.03Å; F229-M275 HydrophobicContact CZ-SD 3.66Å; M233-M275 HydrophobicContact CE-CG 4.05Å; M233-M275 HydrophobicContact SD-CB 3.81Å; M233-M275 HydrophobicContact SD-CG 3.6Å; L271-M275 HydrophobicContact CD1-CG 3.88Å; L271-M275 HydrophobicContact CG-CG 4.49Å; L271-M275 VanDerWaalsContact O-CG 3.29Å; L271-M275 WeakPolarHBondContact O-CG 3.36Å; L271-M275 PolarHBondContact O-N 3.37Å; M272-M275 PolarHBondContact O-N 3.28Å; M275-R278 PolarHBondContact O-N 2.86Å; M275-F279 HydrophobicContact CB-CD2 4.43Å; M275-F279 WeakPolarHBondContact O-CB 3.46Å; M275-F279 PolarHBondContact O-N 3.33Å; M275-F279 HydrophobicContact SD-CD2 4.2Å; M275-F279 HydrophobicContact SD-CE2 3.82Å; M275-Y296 HydrophobicContact CB-CE2 3.72Å |
| 276 | L | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -50.4 | 172.3 | -175.4 | 74.4 | 0 | 0 | 0 | 110.2 | M272 G273 R278 F279 N280 Y296 A301 V305 L332 K335 A336 T342 | M272-L276 WeakPolarHBondContact O-CB 3.31Å; M272-L276 PolarHBondContact O-N 3.3Å; G273-L276 PolarHBondContact O-N 2.94Å; L276-R278 VanDerWaalsContact C-N 3.28Å; L276-R278 PolarHBondContact O-N 3.24Å; L276-F279 PolarHBondContact O-N 3.36Å; L276-N280 HydrophobicContact CD1-CB 3.82Å; L276-N280 HydrophobicContact CG-CB 4.13Å; L276-N280 WeakPolarHBondContact O-CB 3.29Å; L276-N280 PolarHBondContact O-N 3.13Å; L276-Y296 WeakPolarHBondContact CA-OH 3.29Å; L276-Y296 HydrophobicContact CB-CE1 4.49Å; L276-Y296 HydrophobicContact CD1-CE1 4.14Å; L276-Y296 PolarHBondContact N-OH 2.97Å; L276-Y296 VanDerWaalsContact N-OH 3.13Å; L276-A301 HydrophobicContact CD1-CB 3.88Å; L276-V305 HydrophobicContact CD2-CG2 4.3Å; L276-L332 HydrophobicContact CD2-CD2 3.72Å; L276-L332 HydrophobicContact CD2-CG 3.74Å; L276-K335 HydrophobicContact CD2-CB 4.37Å; L276-A336 HydrophobicContact CD2-CB 4.02Å; L276-T342 HydrophobicContact CD1-CG2 4.43Å |
| 277 | E | 92.2 | Very high | 91.6 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -52.5 | -46.7 | 177.7 | -170.7 | -175 | 158.5 | 0 | 0 | 112.6 | G273 R274 K335 | G273-E277 PolarHBondContact O-N 3.06Å; R274-E277 IonicContact NH1-OE1 2.7Å; R274-E277 PolarHBondContact NH1-OE1 2.69Å; R274-E277 IonicContact NH1-OE2 3.54Å; R274-E277 PolarHBondContact NH1-OE2 2.97Å; E277-K335 HydrophobicContact CB-CD 4.05Å; E277-K335 HydrophobicContact CG-CD 4.2Å; E277-K335 IonicContact OE2-NZ 3.58Å; E277-K335 PolarHBondContact OE2-NZ 3.43Å |
| 278 | R | 90.5 | Very high | 91.1 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.8 | -44 | -177.9 | -177.3 | 176.1 | -69.6 | 152.8 | 6.3 | 114.1 | V215 Q216 F217 R274 M275 L276 | V215-R278 PolarHBondContact O-NH1 3.13Å; Q216-R278 PolarHBondContact O-NH2 3.11Å; F217-R278 VanDerWaalsContact C-NH2 3.29Å; F217-R278 PolarHBondContact O-NH2 2.9Å; R274-R278 PolarHBondContact O-N 3.43Å; M275-R278 PolarHBondContact O-N 2.86Å; L276-R278 VanDerWaalsContact C-N 3.28Å; L276-R278 PolarHBondContact O-N 3.24Å |
| 279 | F | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -111.1 | -0.8 | -164 | -65.7 | -51.1 | 0 | 0 | 0 | 114.4 | L219 F229 M275 L276 Y281 Y289 F292 A293 Y296 | L219-F279 HydrophobicContact CD2-CE2 4.14Å; L219-F279 HydrophobicContact CD2-CZ 3.8Å; F229-F279 AromaticContact CE1-CD2 3.84Å; F229-F279 HydrophobicContact CE1-CD2 3.84Å; F229-F279 AromaticContact CE1-CE2 3.86Å; F229-F279 HydrophobicContact CE1-CE2 3.86Å; F229-F279 HydrophobicContact CE2-CE2 4.32Å; F229-F279 AromaticContact CZ-CD2 3.73Å; F229-F279 HydrophobicContact CZ-CD2 3.73Å; F229-F279 AromaticContact CZ-CE2 3.52Å; F229-F279 HydrophobicContact CZ-CE2 3.52Å; M275-F279 HydrophobicContact CB-CD2 4.43Å; M275-F279 WeakPolarHBondContact O-CB 3.46Å; M275-F279 PolarHBondContact O-N 3.33Å; M275-F279 HydrophobicContact SD-CD2 4.2Å; M275-F279 HydrophobicContact SD-CE2 3.82Å; L276-F279 PolarHBondContact O-N 3.36Å; F279-Y281 VanDerWaalsContact C-N 3.25Å; F279-Y281 PolarHBondContact O-N 3.17Å; F279-Y289 HydrophobicContact CE1-CD1 4.44Å; F279-Y289 HydrophobicContact CE1-CG 4.39Å; F279-F292 HydrophobicContact CD1-CB 4.42Å; F279-F292 HydrophobicContact CE1-CB 4.04Å; F279-F292 HydrophobicContact CZ-CB 4.22Å; F279-A293 HydrophobicContact CB-CB 4.35Å; F279-A293 HydrophobicContact CD1-CB 3.97Å; F279-Y296 HydrophobicContact CB-CD1 3.61Å; F279-Y296 HydrophobicContact CB-CE1 4.32Å; F279-Y296 HydrophobicContact CB-CG 3.78Å |
| 280 | N | 86.6 | Confident | 90.5 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -70.5 | -20.6 | -180 | -165.8 | 31.1 | 0 | 0 | 0 | 113 | L276 P282 H339 | L276-N280 HydrophobicContact CD1-CB 3.82Å; L276-N280 HydrophobicContact CG-CB 4.13Å; L276-N280 WeakPolarHBondContact O-CB 3.29Å; L276-N280 PolarHBondContact O-N 3.13Å; N280-P282 VanDerWaalsContact O-CD 3.32Å; N280-P282 WeakPolarHBondContact O-CD 3.38Å; N280-H339 VanDerWaalsContact ND2-CB 3.26Å; N280-H339 WeakPolarHBondContact ND2-CB 3.29Å; N280-H339 PolarHBondContact O-CE1 3.43Å; N280-H339 PolarHBondContact O-NE2 2.94Å; N280-H339 PolarHBondContact OD1-ND1 2.85Å |
| 281 | Y | 86.3 | Confident | 90.4 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | trans | -115.6 | 83.9 | 177.2 | -63.2 | -87.3 | 0 | 0 | 0 | 112.4 | F279 K283 N284 S285 G338 H339 | F279-Y281 VanDerWaalsContact C-N 3.25Å; F279-Y281 PolarHBondContact O-N 3.17Å; Y281-K283 PolarHBondContact O-N 2.92Å; Y281-N284 PolarHBondContact O-N 3.42Å; Y281-S285 PolarHBondContact O-OG 2.91Å; Y281-G338 VanDerWaalsContact OH-C 3.32Å; Y281-G338 PolarHBondContact OH-O 3.03Å; Y281-H339 AromaticContact CD1-CD2 3.6Å; Y281-H339 HydrophobicContact CE1-CB 4.08Å; Y281-H339 AromaticContact CE1-CD2 3.38Å; Y281-H339 WeakPolarHBondContact CE1-CD2 3.46Å | ||
| 282 | P | 81.9 | Confident | 90.2 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -58.9 | -23.4 | -178 | -24.7 | 32.9 | 0 | 0 | 0 | 115 | N280 N284 S285 A293 E294 | N280-P282 VanDerWaalsContact O-CD 3.32Å; N280-P282 WeakPolarHBondContact O-CD 3.38Å; P282-N284 VanDerWaalsContact C-N 3.32Å; P282-S285 PolarHBondContact O-N 3.35Å; P282-A293 HydrophobicContact CB-CB 3.91Å; P282-A293 HydrophobicContact CG-CB 4.11Å; P282-E294 HydrophobicContact CB-CG 4.14Å |
| 283 | K | 84.4 | Confident | 90 | Very high | 200 Ų | 200 | 57.6 Ų | 57.6 | 87% | 0.87 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -70.2 | -27.6 | 178.5 | -66.5 | -173.9 | 179.1 | -176.9 | 0 | 113.3 | Y281 | Y281-K283 PolarHBondContact O-N 2.92Š|
| 284 | N | 85.9 | Confident | 90 | Very high | 133 Ų | 133 | 61.8 Ų | 61.8 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -94 | -2.8 | -178.8 | -62.7 | 12.6 | 0 | 0 | 0 | 111.4 | Y281 P282 | Y281-N284 PolarHBondContact O-N 3.42Å; P282-N284 VanDerWaalsContact C-N 3.32Å |
| 285 | S | 85.6 | Confident | 90 | Very high | 24 Ų | 24 | 60.6 Ų | 60.6 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -77.7 | 140.5 | 179.6 | -56.2 | 0 | 0 | 0 | 0 | 111 | Y281 P282 A293 | Y281-S285 PolarHBondContact O-OG 2.91Å; P282-S285 PolarHBondContact O-N 3.35Å; S285-A293 VanDerWaalsContact OG-CB 3.31Å; S285-A293 WeakPolarHBondContact OG-CB 3.32Å |
| 286 | T | 86.9 | Confident | 90 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | trans | -60.8 | 157.2 | 170.6 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | E288 Y289 K290 | T286-E288 PolarHBondContact O-N 3.28Å; T286-E288 VanDerWaalsContact O-N 3.09Å; T286-Y289 PolarHBondContact O-N 2.93Å; T286-Y289 WeakPolarHBondContact OG1-CD2 3.44Å; T286-K290 PolarHBondContact O-N 3.23Å; T286-K290 VanDerWaalsContact O-N 3.09Å | ||
| 287 | P | 87 | Confident | 89.9 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 77% | 0.766 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.5 | -175.6 | -27.7 | 35.2 | 0 | 0 | 0 | 114.1 | Y289 | P287-Y289 VanDerWaalsContact C-N 3.33Å; P287-Y289 PolarHBondContact O-N 3.14Å |
| 288 | E | 86.8 | Confident | 89.9 | Confident | 122 Ų | 122 | 65.6 Ų | 65.6 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.1 | 179.3 | -61.7 | 170.9 | -163.8 | 0 | 0 | 112.9 | P221 T286 | P221-E288 HydrophobicContact CG-CB 4.24Å; T286-E288 PolarHBondContact O-N 3.28Å; T286-E288 VanDerWaalsContact O-N 3.09Å |
| 289 | Y | 90.8 | Very high | 90.2 | Very high | 34 Ų | 34 | 66.1 Ų | 66.1 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -10.9 | -176.4 | -67.9 | -48 | 0 | 0 | 0 | 114.6 | L219 P221 F279 T286 P287 P291 F292 A293 | L219-Y289 HydrophobicContact CB-CE1 4.36Å; L219-Y289 WeakPolarHBondContact O-CE1 3.37Å; L219-Y289 VanDerWaalsContact O-CZ 3.26Å; L219-Y289 PolarHBondContact O-OH 2.79Å; P221-Y289 HydrophobicContact CG-CE1 4.12Å; F279-Y289 HydrophobicContact CE1-CD1 4.44Å; F279-Y289 HydrophobicContact CE1-CG 4.39Å; T286-Y289 PolarHBondContact O-N 2.93Å; T286-Y289 WeakPolarHBondContact OG1-CD2 3.44Å; P287-Y289 VanDerWaalsContact C-N 3.33Å; P287-Y289 PolarHBondContact O-N 3.14Å; Y289-P291 VanDerWaalsContact C-CD 3.46Å; Y289-P291 VanDerWaalsContact C-N 3.34Å; Y289-F292 HydrophobicContact CD1-CD2 4.38Å; Y289-F292 WeakPolarHBondContact O-CB 3.33Å; Y289-F292 PolarHBondContact O-N 3.06Å; Y289-A293 PolarHBondContact O-N 3.3Å |
| 290 | K | 91.7 | Very high | 90.4 | Very high | 103 Ų | 103 | 66.6 Ų | 66.6 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -52.6 | -43 | -179.9 | -170 | 173.7 | -178.7 | 177.4 | 0 | 113.5 | T286 F292 A293 E294 | T286-K290 PolarHBondContact O-N 3.23Å; T286-K290 VanDerWaalsContact O-N 3.09Å; K290-F292 PolarHBondContact O-N 3.1Å; K290-A293 PolarHBondContact O-N 3.48Å; K290-E294 WeakPolarHBondContact CE-OE1 3.36Å; K290-E294 HydrophobicContact CG-CG 4.38Å; K290-E294 WeakPolarHBondContact O-CB 3.29Å; K290-E294 WeakPolarHBondContact O-CG 3.45Å; K290-E294 PolarHBondContact O-N 2.91Å |
| 291 | P | 93.2 | Very high | 90.8 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 176.3 | -23.3 | 35.3 | 0 | 0 | 0 | 113.4 | P226 Y289 L295 | P226-P291 HydrophobicContact CG-CB 3.86Å; Y289-P291 VanDerWaalsContact C-CD 3.46Å; Y289-P291 VanDerWaalsContact C-N 3.34Å; P291-L295 PolarHBondContact O-N 3.14Å |
| 292 | F | 93.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 176 | -69.1 | -91.5 | 0 | 0 | 0 | 111 | L219 M224 P226 F229 F279 Y289 K290 L295 Y296 | L219-F292 HydrophobicContact CD2-CD1 3.62Å; L219-F292 HydrophobicContact CD2-CE1 3.74Å; L219-F292 HydrophobicContact CD2-CG 4.1Å; L219-F292 HydrophobicContact CD2-CZ 4.3Å; M224-F292 HydrophobicContact CG-CE1 4.41Å; M224-F292 WeakPolarHBondContact O-CZ 3.5Å; P226-F292 HydrophobicContact CB-CD1 4.23Å; P226-F292 HydrophobicContact CB-CE1 4.42Å; P226-F292 HydrophobicContact CB-CG 4.44Å; P226-F292 HydrophobicContact CG-CD1 4.23Å; P226-F292 HydrophobicContact CG-CD2 4.15Å; P226-F292 HydrophobicContact CG-CE1 4.16Å; P226-F292 HydrophobicContact CG-CE2 4.07Å; P226-F292 HydrophobicContact CG-CG 4.24Å; P226-F292 HydrophobicContact CG-CZ 4.08Å; F229-F292 HydrophobicContact CB-CD1 3.87Å; F229-F292 HydrophobicContact CB-CE1 3.93Å; F229-F292 AromaticContact CD1-CD1 3.9Å; F229-F292 HydrophobicContact CD1-CD1 3.9Å; F229-F292 AromaticContact CG-CD1 3.89Å; F229-F292 HydrophobicContact CG-CD1 3.89Å; F229-F292 HydrophobicContact CG-CE1 4.32Å; F279-F292 HydrophobicContact CD1-CB 4.42Å; F279-F292 HydrophobicContact CE1-CB 4.04Å; F279-F292 HydrophobicContact CZ-CB 4.22Å; Y289-F292 HydrophobicContact CD1-CD2 4.38Å; Y289-F292 WeakPolarHBondContact O-CB 3.33Å; Y289-F292 PolarHBondContact O-N 3.06Å; K290-F292 PolarHBondContact O-N 3.1Å; F292-L295 PolarHBondContact O-N 2.78Å; F292-Y296 WeakPolarHBondContact O-CB 3.5Å; F292-Y296 PolarHBondContact O-N 2.65Å |
| 293 | A | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F279 P282 S285 Y289 K290 Y296 S297 | F279-A293 HydrophobicContact CB-CB 4.35Å; F279-A293 HydrophobicContact CD1-CB 3.97Å; P282-A293 HydrophobicContact CB-CB 3.91Å; P282-A293 HydrophobicContact CG-CB 4.11Å; S285-A293 VanDerWaalsContact OG-CB 3.31Å; S285-A293 WeakPolarHBondContact OG-CB 3.32Å; Y289-A293 PolarHBondContact O-N 3.3Å; K290-A293 PolarHBondContact O-N 3.48Å; A293-Y296 PolarHBondContact O-N 3.18Å; A293-S297 WeakPolarHBondContact O-CB 3.33Å; A293-S297 PolarHBondContact O-N 2.93Å |
| 294 | E | 94.7 | Very high | 92.6 | Very high | 97 Ų | 97 | 54.1 Ų | 54.1 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 177.9 | -73.7 | 176.9 | 177.2 | 0 | 0 | 111.9 | P282 K290 K298 | P282-E294 HydrophobicContact CB-CG 4.14Å; K290-E294 WeakPolarHBondContact CE-OE1 3.36Å; K290-E294 HydrophobicContact CG-CG 4.38Å; K290-E294 WeakPolarHBondContact O-CB 3.29Å; K290-E294 WeakPolarHBondContact O-CG 3.45Å; K290-E294 PolarHBondContact O-N 2.91Å; E294-K298 VanDerWaalsContact O-CB 3.26Å; E294-K298 WeakPolarHBondContact O-CB 3.37Å; E294-K298 PolarHBondContact O-N 3.02Å; E294-K298 VanDerWaalsContact O-N 3.1Å |
| 295 | L | 94.7 | Very high | 93.2 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 177.2 | -98.7 | 74.1 | 0 | 0 | 0 | 112.3 | P226 E227 V230 P291 F292 K298 N299 | P226-L295 HydrophobicContact CB-CD2 3.84Å; E227-L295 HydrophobicContact CG-CD2 4.13Å; V230-L295 HydrophobicContact CG2-CB 3.89Å; V230-L295 HydrophobicContact CG2-CD2 4.23Å; P291-L295 PolarHBondContact O-N 3.14Å; F292-L295 PolarHBondContact O-N 2.78Å; L295-K298 PolarHBondContact O-N 3.46Å; L295-N299 WeakPolarHBondContact O-CB 3.47Å; L295-N299 PolarHBondContact O-N 2.96Å |
| 296 | Y | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -47.8 | 178.7 | -179.2 | -86.4 | 0 | 0 | 0 | 111.7 | F229 M233 M272 M275 L276 F279 F292 A293 K298 N299 C300 A301 | F229-Y296 AromaticContact CE1-CD2 3.67Å; F229-Y296 HydrophobicContact CE1-CD2 3.67Å; F229-Y296 HydrophobicContact CE1-CG 4.29Å; F229-Y296 HydrophobicContact CZ-CD2 4.18Å; M233-Y296 HydrophobicContact CB-CE2 4.41Å; M233-Y296 HydrophobicContact CG-CD2 3.85Å; M233-Y296 HydrophobicContact CG-CE2 3.75Å; M233-Y296 HydrophobicContact SD-CD2 4.39Å; M233-Y296 HydrophobicContact SD-CE2 3.81Å; M272-Y296 PolarHBondContact O-OH 3.02Å; M275-Y296 HydrophobicContact CB-CE2 3.72Å; L276-Y296 WeakPolarHBondContact CA-OH 3.29Å; L276-Y296 HydrophobicContact CB-CE1 4.49Å; L276-Y296 HydrophobicContact CD1-CE1 4.14Å; L276-Y296 PolarHBondContact N-OH 2.97Å; L276-Y296 VanDerWaalsContact N-OH 3.13Å; F279-Y296 HydrophobicContact CB-CD1 3.61Å; F279-Y296 HydrophobicContact CB-CE1 4.32Å; F279-Y296 HydrophobicContact CB-CG 3.78Å; F292-Y296 WeakPolarHBondContact O-CB 3.5Å; F292-Y296 PolarHBondContact O-N 2.65Å; A293-Y296 PolarHBondContact O-N 3.18Å; Y296-K298 VanDerWaalsContact C-N 3.28Å; Y296-K298 PolarHBondContact O-N 2.96Å; Y296-N299 PolarHBondContact O-N 3.24Å; Y296-C300 HydrophobicContact CD1-CB 4.49Å; Y296-C300 HydrophobicContact CD2-CB 3.53Å; Y296-C300 HydrophobicContact CE2-CB 3.59Å; Y296-C300 HydrophobicContact CG-CB 4.02Å; Y296-C300 WeakPolarHBondContact O-CA 3.41Å; Y296-C300 WeakPolarHBondContact O-CB 3.32Å; Y296-C300 PolarHBondContact O-N 3.42Å; Y296-A301 HydrophobicContact CD1-CB 4.39Å; Y296-A301 HydrophobicContact CE1-CB 4.04Å; Y296-A301 PolarHBondContact O-N 2.94Å |
| 297 | S | 93.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 178.8 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | A293 N341 | A293-S297 WeakPolarHBondContact O-CB 3.33Å; A293-S297 PolarHBondContact O-N 2.93Å; S297-N341 PolarHBondContact O-ND2 3.02Å |
| 298 | K | 93.1 | Very high | 94.8 | Very high | 168 Ų | 168 | 44.9 Ų | 44.9 | 73% | 0.73 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -69.9 | -44.4 | 178.5 | -173.1 | -176.5 | 176.7 | -178.6 | 0 | 113.4 | E294 L295 Y296 | E294-K298 VanDerWaalsContact O-CB 3.26Å; E294-K298 WeakPolarHBondContact O-CB 3.37Å; E294-K298 PolarHBondContact O-N 3.02Å; E294-K298 VanDerWaalsContact O-N 3.1Å; L295-K298 PolarHBondContact O-N 3.46Å; Y296-K298 VanDerWaalsContact C-N 3.28Å; Y296-K298 PolarHBondContact O-N 2.96Å |
| 299 | N | 95.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 39.4 Ų | 39.4 | 39% | 0.385 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -109.2 | -28.7 | -165.5 | -60.9 | -28.9 | 0 | 0 | 0 | 114.2 | V230 L295 Y296 P303 | V230-N299 HydrophobicContact CG1-CB 3.93Å; V230-N299 HydrophobicContact CG2-CB 4.47Å; L295-N299 WeakPolarHBondContact O-CB 3.47Å; L295-N299 PolarHBondContact O-N 2.96Å; Y296-N299 PolarHBondContact O-N 3.24Å; N299-P303 WeakPolarHBondContact O-CG 3.45Å |
| 300 | C | 96.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -38.8 | -166.9 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | M233 Y296 V302 P303 A304 | M233-C300 HydrophobicContact CB-CB 4.09Å; Y296-C300 HydrophobicContact CD1-CB 4.49Å; Y296-C300 HydrophobicContact CD2-CB 3.53Å; Y296-C300 HydrophobicContact CE2-CB 3.59Å; Y296-C300 HydrophobicContact CG-CB 4.02Å; Y296-C300 WeakPolarHBondContact O-CA 3.41Å; Y296-C300 WeakPolarHBondContact O-CB 3.32Å; Y296-C300 PolarHBondContact O-N 3.42Å; C300-V302 PolarHBondContact O-N 2.7Å; C300-P303 WeakPolarHBondContact O-CD 3.45Å; C300-A304 VanDerWaalsContact O-CB 3.27Å; C300-A304 WeakPolarHBondContact O-CB 3.2Å; C300-A304 PolarHBondContact O-N 3.34Å |
| 301 | A | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -51.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L276 Y296 A304 V305 T342 | L276-A301 HydrophobicContact CD1-CB 3.88Å; Y296-A301 HydrophobicContact CD1-CB 4.39Å; Y296-A301 HydrophobicContact CE1-CB 4.04Å; Y296-A301 PolarHBondContact O-N 2.94Å; A301-A304 PolarHBondContact O-N 3.35Å; A301-V305 VanDerWaalsContact O-CG2 3.26Å; A301-V305 WeakPolarHBondContact O-CG2 3.28Å; A301-V305 PolarHBondContact O-N 2.64Å; A301-T342 HydrophobicContact CB-CG2 3.95Å |
| 302 | V | 96.5 | Very high | 95.8 | Very high | 20 Ų | 20 | 38 Ų | 38 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -47.3 | -178.8 | 169.5 | 0 | 0 | 0 | 0 | 112.4 | C300 A304 V305 R306 T342 V345 | C300-V302 PolarHBondContact O-N 2.7Å; V302-A304 VanDerWaalsContact C-N 3.34Å; V302-A304 PolarHBondContact O-N 2.87Å; V302-V305 PolarHBondContact O-N 3.47Å; V302-R306 WeakPolarHBondContact O-CG 3.32Å; V302-R306 PolarHBondContact O-N 3.02Å; V302-T342 HydrophobicContact CG2-CG2 4.5Å; V302-V345 HydrophobicContact CG1-CG2 3.8Å |
| 303 | P | 96.9 | Very high | 95.9 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 172.5 | -29.6 | 37.5 | 0 | 0 | 0 | 113.7 | N299 C300 V305 R306 T307 | N299-P303 WeakPolarHBondContact O-CG 3.45Å; C300-P303 WeakPolarHBondContact O-CD 3.45Å; P303-V305 VanDerWaalsContact C-N 3.35Å; P303-V305 PolarHBondContact O-N 2.87Å; P303-R306 PolarHBondContact O-N 3.48Å; P303-T307 PolarHBondContact O-N 3.34Å; P303-T307 PolarHBondContact O-OG1 2.97Å |
| 304 | A | 97.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M272 C300 A301 V302 T307 M308 | M272-A304 VanDerWaalsContact CE-CA 3.42Å; M272-A304 HydrophobicContact CE-CB 3.43Å; M272-A304 VanDerWaalsContact CE-CB 3.43Å; C300-A304 VanDerWaalsContact O-CB 3.27Å; C300-A304 WeakPolarHBondContact O-CB 3.2Å; C300-A304 PolarHBondContact O-N 3.34Å; A301-A304 PolarHBondContact O-N 3.35Å; V302-A304 VanDerWaalsContact C-N 3.34Å; V302-A304 PolarHBondContact O-N 2.87Å; A304-T307 PolarHBondContact O-N 2.95Å; A304-M308 PolarHBondContact O-N 3.28Å |
| 305 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L276 A301 V302 P303 T307 M308 L309 L332 L333 A336 T342 V345 F346 | L276-V305 HydrophobicContact CD2-CG2 4.3Å; A301-V305 VanDerWaalsContact O-CG2 3.26Å; A301-V305 WeakPolarHBondContact O-CG2 3.28Å; A301-V305 PolarHBondContact O-N 2.64Å; V302-V305 PolarHBondContact O-N 3.47Å; P303-V305 VanDerWaalsContact C-N 3.35Å; P303-V305 PolarHBondContact O-N 2.87Å; V305-T307 PolarHBondContact O-N 2.96Å; V305-M308 PolarHBondContact O-N 3.13Å; V305-L309 VanDerWaalsContact O-CB 3.24Å; V305-L309 WeakPolarHBondContact O-CB 3.46Å; V305-L309 PolarHBondContact O-N 3.46Å; V305-L332 HydrophobicContact CG2-CD2 3.86Å; V305-L333 HydrophobicContact CG1-CD2 3.89Å; V305-A336 HydrophobicContact CB-CB 4.45Å; V305-A336 HydrophobicContact CG1-CB 4.09Å; V305-A336 HydrophobicContact CG2-CB 3.44Å; V305-A336 VanDerWaalsContact CG2-CB 3.44Å; V305-T342 HydrophobicContact CG2-CG2 3.75Å; V305-V345 HydrophobicContact CG1-CB 4.14Å; V305-V345 HydrophobicContact CG1-CG1 4.14Å; V305-V345 HydrophobicContact CG1-CG2 4.24Å; V305-F346 HydrophobicContact CG1-CE2 3.74Å; V305-F346 HydrophobicContact CG1-CZ 3.62Å |
| 306 | R | 97.5 | Very high | 95.3 | Very high | 148 Ų | 148 | 41.6 Ų | 41.6 | 56% | 0.558 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62 | -42.8 | 176.6 | -74.8 | 178.8 | -176 | 144.4 | 2.6 | 112.3 | V302 P303 L309 K310 V345 | V302-R306 WeakPolarHBondContact O-CG 3.32Å; V302-R306 PolarHBondContact O-N 3.02Å; P303-R306 PolarHBondContact O-N 3.48Å; R306-L309 PolarHBondContact O-N 3.22Å; R306-K310 WeakPolarHBondContact O-CB 3.31Å; R306-K310 PolarHBondContact O-N 3.37Å; R306-V345 HydrophobicContact CG-CG1 3.73Å; R306-V345 HydrophobicContact CG-CG2 4.09Å |
| 307 | T | 97.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 177.9 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | R237 V240 E241 P303 A304 V305 K310 I311 | R237-T307 HydrophobicContact CG-CG2 4.25Å; R237-T307 VanDerWaalsContact CG-OG1 3.26Å; R237-T307 WeakPolarHBondContact CG-OG1 3.46Å; R237-T307 PolarHBondContact NH1-OG1 2.86Å; V240-T307 HydrophobicContact CB-CG2 4.06Å; V240-T307 HydrophobicContact CG1-CG2 3.6Å; E241-T307 HydrophobicContact CG-CG2 3.57Å; E241-T307 PolarHBondContact OE1-OG1 3.31Å; P303-T307 PolarHBondContact O-N 3.34Å; P303-T307 PolarHBondContact O-OG1 2.97Å; A304-T307 PolarHBondContact O-N 2.95Å; V305-T307 PolarHBondContact O-N 2.96Å; T307-K310 PolarHBondContact O-N 3.2Å; T307-I311 PolarHBondContact O-N 3.42Å; T307-I311 VanDerWaalsContact O-N 3.14Å |
| 308 | M | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 177.2 | -70 | -53.2 | 171.9 | 0 | 0 | 113 | V240 M272 A304 V305 K310 I311 V312 A329 L332 L333 | V240-M308 HydrophobicContact CG1-CE 4.05Å; V240-M308 HydrophobicContact CG1-SD 4.33Å; V240-M308 HydrophobicContact CG2-CE 4.1Å; M272-M308 HydrophobicContact CB-CE 4.43Å; M272-M308 HydrophobicContact CE-CE 3.94Å; M272-M308 HydrophobicContact SD-CE 3.83Å; A304-M308 PolarHBondContact O-N 3.28Å; V305-M308 PolarHBondContact O-N 3.13Å; M308-K310 VanDerWaalsContact C-N 3.3Å; M308-K310 PolarHBondContact O-N 3.1Å; M308-I311 WeakPolarHBondContact O-CB 3.46Å; M308-I311 PolarHBondContact O-N 2.85Å; M308-I311 VanDerWaalsContact O-N 3.15Å; M308-I311 HydrophobicContact SD-CD1 4.03Å; M308-V312 PolarHBondContact O-N 3.47Å; M308-A329 HydrophobicContact CB-CB 4.03Å; M308-A329 HydrophobicContact CG-CB 4.32Å; M308-A329 HydrophobicContact SD-CB 3.77Å; M308-L332 HydrophobicContact CB-CD2 4.14Å; M308-L332 HydrophobicContact CE-CD1 4.34Å; M308-L332 HydrophobicContact CG-CB 4.28Å; M308-L332 HydrophobicContact CG-CD1 3.78Å; M308-L332 HydrophobicContact CG-CD2 3.96Å; M308-L332 HydrophobicContact CG-CG 4.22Å; M308-L333 HydrophobicContact CB-CD2 4.1Å; M308-L333 HydrophobicContact CB-CG 4.33Å |
| 309 | L | 97.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 174.9 | -179.7 | 59.7 | 0 | 0 | 0 | 110.7 | V305 R306 I311 V312 M313 L333 V345 F346 V353 | V305-L309 VanDerWaalsContact O-CB 3.24Å; V305-L309 WeakPolarHBondContact O-CB 3.46Å; V305-L309 PolarHBondContact O-N 3.46Å; R306-L309 PolarHBondContact O-N 3.22Å; L309-I311 VanDerWaalsContact C-N 3.28Å; L309-I311 PolarHBondContact O-N 3.42Å; L309-V312 PolarHBondContact O-N 3.06Å; L309-M313 HydrophobicContact CD1-CG 3.97Å; L309-M313 HydrophobicContact CD1-SD 4.49Å; L309-M313 HydrophobicContact CG-CG 4.25Å; L309-M313 WeakPolarHBondContact O-CB 3.45Å; L309-M313 VanDerWaalsContact O-CG 3.25Å; L309-M313 WeakPolarHBondContact O-CG 3.49Å; L309-M313 PolarHBondContact O-N 3.2Å; L309-L333 HydrophobicContact CB-CD1 4.44Å; L309-L333 HydrophobicContact CB-CD2 4Å; L309-L333 HydrophobicContact CD1-CD1 4.11Å; L309-V345 HydrophobicContact CD2-CG1 3.9Å; L309-F346 HydrophobicContact CD1-CE1 4.43Å; L309-V353 HydrophobicContact CD1-CB 4.4Å; L309-V353 HydrophobicContact CD1-CG1 3.77Å; L309-V353 HydrophobicContact CD1-CG2 3.65Å; L309-V353 HydrophobicContact CD2-CG2 4.43Å |
| 310 | K | 95.8 | Very high | 93.3 | Very high | 145 Ų | 145 | 51.5 Ų | 51.5 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.6 | -39.2 | 174.9 | -173.6 | -178.4 | 177.3 | -174.1 | 0 | 111.9 | R306 T307 M308 S314 | R306-K310 WeakPolarHBondContact O-CB 3.31Å; R306-K310 PolarHBondContact O-N 3.37Å; T307-K310 PolarHBondContact O-N 3.2Å; M308-K310 VanDerWaalsContact C-N 3.3Å; M308-K310 PolarHBondContact O-N 3.1Å; K310-S314 WeakPolarHBondContact O-CB 3.14Å; K310-S314 PolarHBondContact O-N 2.95Å; K310-S314 PolarHBondContact O-OG 3.13Å |
| 311 | I | 95.5 | Very high | 93.1 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | 176 | -73.1 | 174.6 | 0 | 0 | 0 | 110.8 | V240 T307 M308 L309 M313 S314 N315 V321 L325 A329 | V240-I311 HydrophobicContact CG1-CD1 3.19Å; V240-I311 HydrophobicContact CG1-CG1 4.47Å; T307-I311 PolarHBondContact O-N 3.42Å; T307-I311 VanDerWaalsContact O-N 3.14Å; M308-I311 WeakPolarHBondContact O-CB 3.46Å; M308-I311 PolarHBondContact O-N 2.85Å; M308-I311 VanDerWaalsContact O-N 3.15Å; M308-I311 HydrophobicContact SD-CD1 4.03Å; L309-I311 VanDerWaalsContact C-N 3.28Å; L309-I311 PolarHBondContact O-N 3.42Å; I311-M313 PolarHBondContact O-N 2.92Å; I311-S314 PolarHBondContact O-N 3.38Å; I311-S314 VanDerWaalsContact O-N 3.16Å; I311-S314 PolarHBondContact O-OG 3.11Å; I311-N315 PolarHBondContact O-N 2.98Å; I311-V321 HydrophobicContact CG2-CG1 3.83Å; I311-V321 HydrophobicContact CG2-CG2 4.4Å; I311-L325 HydrophobicContact CD1-CD1 4.47Å; I311-L325 HydrophobicContact CD1-CD2 4.12Å; I311-L325 HydrophobicContact CD1-CG 4.42Å; I311-L325 HydrophobicContact CG2-CD2 4.42Å; I311-L325 HydrophobicContact CG2-CG 4.38Å; I311-A329 HydrophobicContact CB-CB 4.49Å; I311-A329 HydrophobicContact CG2-CB 4.22Å |
| 312 | V | 95.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 179.2 | 175 | 0 | 0 | 0 | 0 | 110.7 | M308 L309 S314 N315 L326 A329 L330 L333 | M308-V312 PolarHBondContact O-N 3.47Å; L309-V312 PolarHBondContact O-N 3.06Å; V312-S314 PolarHBondContact O-N 2.91Å; V312-N315 WeakPolarHBondContact O-CB 3.45Å; V312-N315 PolarHBondContact O-N 3.4Å; V312-L326 HydrophobicContact CB-CD1 4.45Å; V312-L326 HydrophobicContact CG2-CD1 4.07Å; V312-A329 HydrophobicContact CG2-CB 3.74Å; V312-L330 HydrophobicContact CG1-CD2 4.05Å; V312-L330 HydrophobicContact CG2-CD2 3.95Å; V312-L330 HydrophobicContact CG2-CG 4.14Å; V312-L333 HydrophobicContact CB-CD1 4.29Å; V312-L333 HydrophobicContact CG2-CD1 3.72Å |
| 313 | M | 95.2 | Very high | 92.5 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 29% | 0.286 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.3 | -18.2 | -179.5 | -62.4 | -57.6 | -63.2 | 0 | 0 | 113.7 | L309 I311 V353 Q356 | L309-M313 HydrophobicContact CD1-CG 3.97Å; L309-M313 HydrophobicContact CD1-SD 4.49Å; L309-M313 HydrophobicContact CG-CG 4.25Å; L309-M313 WeakPolarHBondContact O-CB 3.45Å; L309-M313 VanDerWaalsContact O-CG 3.25Å; L309-M313 WeakPolarHBondContact O-CG 3.49Å; L309-M313 PolarHBondContact O-N 3.2Å; I311-M313 PolarHBondContact O-N 2.92Å; M313-V353 HydrophobicContact SD-CB 4.33Å; M313-V353 HydrophobicContact SD-CG1 4.36Å; M313-V353 HydrophobicContact SD-CG2 4.2Å; M313-Q356 HydrophobicContact CE-CB 3.99Å |
| 314 | S | 92.2 | Very high | 92.2 | Very high | 40 Ų | 40 | 56 Ų | 56 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -86.2 | -13.1 | 175.7 | 71.4 | 0 | 0 | 0 | 0 | 113 | K310 I311 V312 T316 N319 | K310-S314 WeakPolarHBondContact O-CB 3.14Å; K310-S314 PolarHBondContact O-N 2.95Å; K310-S314 PolarHBondContact O-OG 3.13Å; I311-S314 PolarHBondContact O-N 3.38Å; I311-S314 VanDerWaalsContact O-N 3.16Å; I311-S314 PolarHBondContact O-OG 3.11Å; V312-S314 PolarHBondContact O-N 2.91Å; S314-T316 PolarHBondContact O-N 3.47Å; S314-T316 VanDerWaalsContact O-N 3.09Å; S314-N319 WeakPolarHBondContact CB-ND2 3.31Å; S314-N319 WeakPolarHBondContact O-CB 3.17Å; S314-N319 PolarHBondContact O-ND2 2.9Å; S314-N319 PolarHBondContact OG-ND2 3.2Å |
| 315 | N | 92 | Very high | 92.1 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | trans | -72.7 | 103.2 | 180 | -174.5 | 66 | 0 | 0 | 0 | 109.8 | I311 V312 V321 L326 | I311-N315 PolarHBondContact O-N 2.98Å; V312-N315 WeakPolarHBondContact O-CB 3.45Å; V312-N315 PolarHBondContact O-N 3.4Å; N315-V321 HydrophobicContact CB-CB 4.43Å; N315-V321 HydrophobicContact CB-CG2 4.11Å; N315-L326 HydrophobicContact CB-CD1 4.21Å | ||
| 316 | T | 87.5 | Confident | 92 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 47% | 0.466 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 167.5 | -178.7 | 58.9 | 0 | 0 | 0 | 0 | 109.3 | S314 D318 N319 | S314-T316 PolarHBondContact O-N 3.47Å; S314-T316 VanDerWaalsContact O-N 3.09Å; T316-D318 PolarHBondContact O-N 3.32Å; T316-D318 VanDerWaalsContact O-N 3.09Å; T316-N319 PolarHBondContact N-O 3.48Å; T316-N319 CarbonylContact O-C 3.57Å; T316-N319 PolarHBondContact O-N 3.03Å; T316-N319 PolarHBondContact OG1-N 3.25Å |
| 317 | E | 79.2 | Confident | 91.9 | Very high | 170 Ų | 170 | 50.6 Ų | 50.6 | 79% | 0.794 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.2 | 175.4 | -67.3 | -166.1 | 138.5 | 0 | 0 | 112.3 | K366 | E317-K366 IonicContact OE1-NZ 3.7Å; E317-K366 PolarHBondContact OE1-NZ 3.17Å |
| 318 | D | 80.7 | Confident | 91.8 | Very high | 163 Ų | 163 | 53.2 Ų | 53.2 | 87% | 0.872 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.9 | 178.4 | -64.7 | -41.7 | 0 | 0 | 0 | 115 | T316 | T316-D318 PolarHBondContact O-N 3.32Å; T316-D318 VanDerWaalsContact O-N 3.09Å |
| 319 | N | 87.8 | Confident | 91.8 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 96.3 | -174.4 | -176.8 | 50.5 | 0 | 0 | 0 | 111.3 | S314 T316 | S314-N319 WeakPolarHBondContact CB-ND2 3.31Å; S314-N319 WeakPolarHBondContact O-CB 3.17Å; S314-N319 PolarHBondContact O-ND2 2.9Å; S314-N319 PolarHBondContact OG-ND2 3.2Å; T316-N319 PolarHBondContact N-O 3.48Å; T316-N319 CarbonylContact O-C 3.57Å; T316-N319 PolarHBondContact O-N 3.03Å; T316-N319 PolarHBondContact OG1-N 3.25Å |
| 320 | Y | 87.6 | Confident | 91.8 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | trans | -68.3 | 131.6 | -178.2 | 175.3 | -95.3 | 0 | 0 | 0 | 112.5 | R256 P257 W262 | R256-Y320 HydrophobicContact CB-CE1 3.75Å; R256-Y320 HydrophobicContact CG-CE1 4.45Å; P257-Y320 WeakPolarHBondContact CD-OH 3.25Å; P257-Y320 WeakPolarHBondContact CG-OH 3.32Å; W262-Y320 AromaticContact CE2-CE1 3.97Å; W262-Y320 HydrophobicContact CH2-CD1 4.44Å; W262-Y320 WeakPolarHBondContact CH2-O 3.42Å; W262-Y320 AromaticContact CZ2-CD1 3.65Å; W262-Y320 HydrophobicContact CZ2-CD1 3.65Å; W262-Y320 HydrophobicContact CZ2-CE1 4Å; W262-Y320 WeakPolarHBondContact CZ2-O 3.44Å; W262-Y320 AromaticContact NE1-CE1 3.96Å | ||
| 321 | V | 91.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | trans | -123.9 | 130.5 | 166.3 | -179 | 0 | 0 | 0 | 0 | 108.7 | W262 I311 N315 L325 L326 | W262-V321 HydrophobicContact CZ3-CG1 4.27Å; I311-V321 HydrophobicContact CG2-CG1 3.83Å; I311-V321 HydrophobicContact CG2-CG2 4.4Å; N315-V321 HydrophobicContact CB-CB 4.43Å; N315-V321 HydrophobicContact CB-CG2 4.11Å; V321-L325 HydrophobicContact CG1-CB 4.23Å; V321-L325 HydrophobicContact CG1-CD2 4.13Å; V321-L325 HydrophobicContact CG1-CG 4.29Å; V321-L326 HydrophobicContact CG1-CB 4.18Å | ||
| 322 | T | 90.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | -59.2 | 136.9 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | W262 R324 L325 L326 | W262-T322 HydrophobicContact CB-CG2 4.08Å; W262-T322 HydrophobicContact CD2-CG2 3.89Å; W262-T322 HydrophobicContact CE3-CG2 3.51Å; W262-T322 HydrophobicContact CG-CG2 4.16Å; W262-T322 HydrophobicContact CZ3-CG2 4.23Å; T322-R324 PolarHBondContact O-N 3.49Å; T322-R324 VanDerWaalsContact O-N 3.13Å; T322-L325 HydrophobicContact CG2-CB 3.46Å; T322-L325 VanDerWaalsContact CG2-CB 3.46Å; T322-L325 PolarHBondContact O-N 3.31Å; T322-L326 PolarHBondContact O-N 3Å | ||
| 323 | P | 90.4 | Very high | 91.9 | Very high | 54 Ų | 54 | 46 Ų | 46 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -50.9 | -42 | -178.3 | -31 | 35.6 | 0 | 0 | 0 | 113.3 | L325 L326 Y327 P393 | P323-L325 VanDerWaalsContact C-N 3.31Å; P323-L325 PolarHBondContact O-N 3.43Å; P323-L326 PolarHBondContact O-N 3.14Å; P323-Y327 WeakPolarHBondContact O-CB 3.39Å; P323-Y327 PolarHBondContact O-N 3.22Å; P323-P393 HydrophobicContact CB-CG 3.69Å |
| 324 | R | 90.7 | Very high | 91.9 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.3 | -27.7 | -179 | -60.8 | -66.3 | 178.6 | 136.2 | -5 | 113.3 | K266 T322 R328 E388 V391 | K266-R324 HydrophobicContact CD-CB 3.88Å; K266-R324 HydrophobicContact CG-CB 4.45Å; T322-R324 PolarHBondContact O-N 3.49Å; T322-R324 VanDerWaalsContact O-N 3.13Å; R324-R328 WeakPolarHBondContact O-CG 3.25Å; R324-R328 PolarHBondContact O-N 2.85Å; R324-E388 IonicContact NH2-OE1 2.69Å; R324-E388 PolarHBondContact NH2-OE1 2.89Å; R324-E388 IonicContact NH2-OE2 3.4Å; R324-E388 PolarHBondContact NH2-OE2 2.63Å; R324-V391 VanDerWaalsContact NH1-CB 3.26Å |
| 325 | L | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -79.7 | -41.3 | 173.4 | 178.6 | 61.2 | 0 | 0 | 0 | 110.3 | W262 K265 I311 V321 T322 P323 Y327 R328 A329 | W262-L325 HydrophobicContact CE3-CD2 4.02Å; W262-L325 HydrophobicContact CZ3-CD2 3.75Å; K265-L325 HydrophobicContact CB-CD1 4.26Å; K265-L325 HydrophobicContact CB-CD2 3.84Å; K265-L325 HydrophobicContact CD-CD2 4.23Å; I311-L325 HydrophobicContact CD1-CD1 4.47Å; I311-L325 HydrophobicContact CD1-CD2 4.12Å; I311-L325 HydrophobicContact CD1-CG 4.42Å; I311-L325 HydrophobicContact CG2-CD2 4.42Å; I311-L325 HydrophobicContact CG2-CG 4.38Å; V321-L325 HydrophobicContact CG1-CB 4.23Å; V321-L325 HydrophobicContact CG1-CD2 4.13Å; V321-L325 HydrophobicContact CG1-CG 4.29Å; T322-L325 HydrophobicContact CG2-CB 3.46Å; T322-L325 VanDerWaalsContact CG2-CB 3.46Å; T322-L325 PolarHBondContact O-N 3.31Å; P323-L325 VanDerWaalsContact C-N 3.31Å; P323-L325 PolarHBondContact O-N 3.43Å; L325-Y327 VanDerWaalsContact C-N 3.33Å; L325-Y327 PolarHBondContact O-N 2.73Å; L325-R328 PolarHBondContact O-N 3.13Å; L325-R328 VanDerWaalsContact O-N 3.13Å; L325-A329 PolarHBondContact O-N 3.21Å |
| 326 | L | 95.2 | Very high | 92 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 178.1 | -170.9 | 60.2 | 0 | 0 | 0 | 110.9 | V312 N315 V321 T322 P323 R328 A329 L330 L361 P393 | V312-L326 HydrophobicContact CB-CD1 4.45Å; V312-L326 HydrophobicContact CG2-CD1 4.07Å; N315-L326 HydrophobicContact CB-CD1 4.21Å; V321-L326 HydrophobicContact CG1-CB 4.18Å; T322-L326 PolarHBondContact O-N 3Å; P323-L326 PolarHBondContact O-N 3.14Å; L326-R328 PolarHBondContact O-N 3.23Å; L326-A329 WeakPolarHBondContact O-CB 3.32Å; L326-A329 PolarHBondContact O-N 3.02Å; L326-L330 HydrophobicContact CG-CD1 4.06Å; L326-L330 WeakPolarHBondContact O-CB 3.39Å; L326-L330 VanDerWaalsContact O-CG 3.26Å; L326-L330 WeakPolarHBondContact O-CG 3.26Å; L326-L330 PolarHBondContact O-N 2.8Å; L326-L361 HydrophobicContact CD2-CD1 3.97Å; L326-L361 HydrophobicContact CD2-CD2 3.76Å; L326-L361 HydrophobicContact CG-CD1 4.36Å; L326-P393 HydrophobicContact CB-CB 4.44Å; L326-P393 HydrophobicContact CB-CG 4.27Å; L326-P393 HydrophobicContact CD2-CB 3.82Å; L326-P393 HydrophobicContact CD2-CG 4.12Å; L326-P393 HydrophobicContact CG-CB 4.12Å; L326-P393 HydrophobicContact CG-CG 4.44Å |
| 327 | Y | 95.2 | Very high | 92.3 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.2 | -45.4 | 171.7 | 172.5 | -96.4 | 0 | 0 | 0 | 112.9 | P323 L325 A329 L330 T331 L390 V391 H392 | P323-Y327 WeakPolarHBondContact O-CB 3.39Å; P323-Y327 PolarHBondContact O-N 3.22Å; L325-Y327 VanDerWaalsContact C-N 3.33Å; L325-Y327 PolarHBondContact O-N 2.73Å; Y327-A329 VanDerWaalsContact C-N 3.32Å; Y327-A329 PolarHBondContact O-N 3.23Å; Y327-L330 PolarHBondContact O-N 2.68Å; Y327-T331 HydrophobicContact CD1-CG2 4.43Å; Y327-T331 HydrophobicContact CD2-CG2 4.18Å; Y327-T331 HydrophobicContact CE1-CG2 3.89Å; Y327-T331 HydrophobicContact CE2-CG2 3.67Å; Y327-T331 VanDerWaalsContact CZ-CG2 3.48Å; Y327-T331 WeakPolarHBondContact O-CG2 3.32Å; Y327-T331 PolarHBondContact O-N 2.85Å; Y327-T331 PolarHBondContact O-OG1 2.72Å; Y327-L390 WeakPolarHBondContact CE2-O 3.43Å; Y327-L390 PolarHBondContact OH-O 3.43Å; Y327-V391 VanDerWaalsContact CB-O 3.29Å; Y327-V391 WeakPolarHBondContact CB-O 3.18Å; Y327-H392 VanDerWaalsContact CD2-O 3.31Å; Y327-H392 WeakPolarHBondContact CD2-O 3.38Å |
| 328 | R | 95.2 | Very high | 92.7 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 22% | 0.219 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -33.2 | 178.1 | -64.8 | -63.3 | 172.1 | -168.3 | -3.2 | 112.4 | R324 L325 L326 T331 L332 | R324-R328 WeakPolarHBondContact O-CG 3.25Å; R324-R328 PolarHBondContact O-N 2.85Å; L325-R328 PolarHBondContact O-N 3.13Å; L325-R328 VanDerWaalsContact O-N 3.13Å; L326-R328 PolarHBondContact O-N 3.23Å; R328-T331 WeakPolarHBondContact CA-OG1 3.43Å; R328-T331 PolarHBondContact O-OG1 3.22Å; R328-L332 VanDerWaalsContact O-CB 3.31Å; R328-L332 WeakPolarHBondContact O-CB 3.3Å; R328-L332 PolarHBondContact O-N 3.49Å; R328-L332 VanDerWaalsContact O-N 3.14Å |
| 329 | A | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -50.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M308 I311 V312 L325 L326 Y327 T331 L332 L333 | M308-A329 HydrophobicContact CB-CB 4.03Å; M308-A329 HydrophobicContact CG-CB 4.32Å; M308-A329 HydrophobicContact SD-CB 3.77Å; I311-A329 HydrophobicContact CB-CB 4.49Å; I311-A329 HydrophobicContact CG2-CB 4.22Å; V312-A329 HydrophobicContact CG2-CB 3.74Å; L325-A329 PolarHBondContact O-N 3.21Å; L326-A329 WeakPolarHBondContact O-CB 3.32Å; L326-A329 PolarHBondContact O-N 3.02Å; Y327-A329 VanDerWaalsContact C-N 3.32Å; Y327-A329 PolarHBondContact O-N 3.23Å; A329-T331 PolarHBondContact O-N 3Å; A329-L332 PolarHBondContact O-N 2.68Å; A329-L333 VanDerWaalsContact O-CG 3.26Å; A329-L333 WeakPolarHBondContact O-CG 3.35Å; A329-L333 PolarHBondContact O-N 3.03Å |
| 330 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | -179.3 | -69.7 | 164 | 0 | 0 | 0 | 112.8 | V312 L326 Y327 L332 L333 Q334 I358 L361 P393 A397 | V312-L330 HydrophobicContact CG1-CD2 4.05Å; V312-L330 HydrophobicContact CG2-CD2 3.95Å; V312-L330 HydrophobicContact CG2-CG 4.14Å; L326-L330 HydrophobicContact CG-CD1 4.06Å; L326-L330 WeakPolarHBondContact O-CB 3.39Å; L326-L330 VanDerWaalsContact O-CG 3.26Å; L326-L330 WeakPolarHBondContact O-CG 3.26Å; L326-L330 PolarHBondContact O-N 2.8Å; Y327-L330 PolarHBondContact O-N 2.68Å; L330-L332 PolarHBondContact O-N 3.08Å; L330-L333 PolarHBondContact O-N 3.4Å; L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.37Å; L330-Q334 PolarHBondContact O-N 3.37Å; L330-I358 HydrophobicContact CD2-CD1 3.37Å; L330-L361 HydrophobicContact CD1-CD1 3.85Å; L330-L361 HydrophobicContact CD2-CD1 4.49Å; L330-P393 HydrophobicContact CD1-CB 4.3Å; L330-P393 VanDerWaalsContact CD1-O 3.26Å; L330-P393 WeakPolarHBondContact CD1-O 3.24Å; L330-A397 HydrophobicContact CD1-CB 4.17Å; L330-A397 HydrophobicContact CD2-CB 4.49Å |
| 331 | T | 95.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 13% | 0.129 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -36.3 | 176.3 | 49 | 0 | 0 | 0 | 0 | 112.7 | Y327 R328 A329 Q334 K335 | Y327-T331 HydrophobicContact CD1-CG2 4.43Å; Y327-T331 HydrophobicContact CD2-CG2 4.18Å; Y327-T331 HydrophobicContact CE1-CG2 3.89Å; Y327-T331 HydrophobicContact CE2-CG2 3.67Å; Y327-T331 VanDerWaalsContact CZ-CG2 3.48Å; Y327-T331 WeakPolarHBondContact O-CG2 3.32Å; Y327-T331 PolarHBondContact O-N 2.85Å; Y327-T331 PolarHBondContact O-OG1 2.72Å; R328-T331 WeakPolarHBondContact CA-OG1 3.43Å; R328-T331 PolarHBondContact O-OG1 3.22Å; A329-T331 PolarHBondContact O-N 3Å; T331-Q334 PolarHBondContact O-N 3.18Å; T331-Q334 PolarHBondContact O-OE1 2.92Å; T331-K335 WeakPolarHBondContact O-CG 3.27Å; T331-K335 PolarHBondContact O-N 3.48Å; T331-K335 VanDerWaalsContact O-N 3.12Å |
| 332 | L | 96.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 171.9 | -173.5 | 154.5 | 0 | 0 | 0 | 110.9 | M272 L276 V305 M308 R328 A329 L330 Q334 K335 A336 | M272-L332 HydrophobicContact CB-CD1 3.82Å; L276-L332 HydrophobicContact CD2-CD2 3.72Å; L276-L332 HydrophobicContact CD2-CG 3.74Å; V305-L332 HydrophobicContact CG2-CD2 3.86Å; M308-L332 HydrophobicContact CB-CD2 4.14Å; M308-L332 HydrophobicContact CE-CD1 4.34Å; M308-L332 HydrophobicContact CG-CB 4.28Å; M308-L332 HydrophobicContact CG-CD1 3.78Å; M308-L332 HydrophobicContact CG-CD2 3.96Å; M308-L332 HydrophobicContact CG-CG 4.22Å; R328-L332 VanDerWaalsContact O-CB 3.31Å; R328-L332 WeakPolarHBondContact O-CB 3.3Å; R328-L332 PolarHBondContact O-N 3.49Å; R328-L332 VanDerWaalsContact O-N 3.14Å; A329-L332 PolarHBondContact O-N 2.68Å; L330-L332 PolarHBondContact O-N 3.08Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 3.21Å; L332-K335 PolarHBondContact O-N 2.95Å; L332-A336 WeakPolarHBondContact O-CB 3.07Å; L332-A336 PolarHBondContact O-N 3.2Å |
| 333 | L | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.9 | -62.8 | 177.6 | 0 | 0 | 0 | 111.4 | V305 M308 L309 V312 A329 L330 K335 A336 V337 F346 F400 | V305-L333 HydrophobicContact CG1-CD2 3.89Å; M308-L333 HydrophobicContact CB-CD2 4.1Å; M308-L333 HydrophobicContact CB-CG 4.33Å; L309-L333 HydrophobicContact CB-CD1 4.44Å; L309-L333 HydrophobicContact CB-CD2 4Å; L309-L333 HydrophobicContact CD1-CD1 4.11Å; V312-L333 HydrophobicContact CB-CD1 4.29Å; V312-L333 HydrophobicContact CG2-CD1 3.72Å; A329-L333 VanDerWaalsContact O-CG 3.26Å; A329-L333 WeakPolarHBondContact O-CG 3.35Å; A329-L333 PolarHBondContact O-N 3.03Å; L330-L333 PolarHBondContact O-N 3.4Å; L333-K335 PolarHBondContact O-N 2.95Å; L333-A336 WeakPolarHBondContact O-CB 3.35Å; L333-A336 PolarHBondContact O-N 2.91Å; L333-A336 VanDerWaalsContact O-N 3.08Å; L333-V337 WeakPolarHBondContact O-CG2 3.26Å; L333-V337 PolarHBondContact O-N 3.29Å; L333-F346 HydrophobicContact CB-CE1 4.43Å; L333-F346 HydrophobicContact CB-CZ 4.2Å; L333-F346 HydrophobicContact CD2-CE1 4Å; L333-F346 HydrophobicContact CD2-CZ 3.75Å; L333-F400 HydrophobicContact CB-CD2 3.71Å; L333-F400 HydrophobicContact CB-CE2 3.56Å |
| 334 | Q | 95.2 | Very high | 93.6 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.3 | 174.8 | -97.4 | -14 | 0 | 0 | 110.6 | L330 T331 L332 A336 S399 F400 A403 | L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.37Å; L330-Q334 PolarHBondContact O-N 3.37Å; T331-Q334 PolarHBondContact O-N 3.18Å; T331-Q334 PolarHBondContact O-OE1 2.92Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 3.21Å; Q334-A336 VanDerWaalsContact C-N 3.32Å; Q334-A336 PolarHBondContact O-N 2.85Å; Q334-S399 WeakPolarHBondContact CG-O 3.33Å; Q334-F400 HydrophobicContact CB-CB 4.18Å; Q334-F400 HydrophobicContact CB-CD2 4.24Å; Q334-A403 HydrophobicContact CG-CB 3.86Å |
| 335 | K | 92.7 | Very high | 93.8 | Very high | 74 Ų | 74 | 31.3 Ų | 31.3 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.6 | -34.3 | 172.3 | -66.8 | 173.5 | 179.5 | 178.6 | 0 | 112.7 | L276 E277 T331 L332 L333 | L276-K335 HydrophobicContact CD2-CB 4.37Å; E277-K335 HydrophobicContact CB-CD 4.05Å; E277-K335 HydrophobicContact CG-CD 4.2Å; E277-K335 IonicContact OE2-NZ 3.58Å; E277-K335 PolarHBondContact OE2-NZ 3.43Å; T331-K335 WeakPolarHBondContact O-CG 3.27Å; T331-K335 PolarHBondContact O-N 3.48Å; T331-K335 VanDerWaalsContact O-N 3.12Å; L332-K335 PolarHBondContact O-N 2.95Å; L333-K335 PolarHBondContact O-N 2.95Å |
| 336 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.7 | -29.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L276 V305 L332 L333 Q334 G338 H339 T342 F346 | L276-A336 HydrophobicContact CD2-CB 4.02Å; V305-A336 HydrophobicContact CB-CB 4.45Å; V305-A336 HydrophobicContact CG1-CB 4.09Å; V305-A336 HydrophobicContact CG2-CB 3.44Å; V305-A336 VanDerWaalsContact CG2-CB 3.44Å; L332-A336 WeakPolarHBondContact O-CB 3.07Å; L332-A336 PolarHBondContact O-N 3.2Å; L333-A336 WeakPolarHBondContact O-CB 3.35Å; L333-A336 PolarHBondContact O-N 2.91Å; L333-A336 VanDerWaalsContact O-N 3.08Å; Q334-A336 VanDerWaalsContact C-N 3.32Å; Q334-A336 PolarHBondContact O-N 2.85Å; A336-G338 PolarHBondContact O-N 3.23Å; A336-H339 PolarHBondContact O-N 2.87Å; A336-T342 PolarHBondContact O-OG1 3.43Å; A336-F346 HydrophobicContact CB-CE2 3.93Å; A336-F346 HydrophobicContact CB-CZ 4.11Å |
| 337 | V | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -27 | -177.2 | 165.3 | 0 | 0 | 0 | 0 | 112.6 | L333 H339 W343 F346 F400 H407 | L333-V337 WeakPolarHBondContact O-CG2 3.26Å; L333-V337 PolarHBondContact O-N 3.29Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.42Å; V337-W343 HydrophobicContact CG1-CE3 4.19Å; V337-W343 HydrophobicContact CG1-CZ3 3.97Å; V337-F346 HydrophobicContact CG2-CD2 4.26Å; V337-F346 HydrophobicContact CG2-CE1 4.39Å; V337-F346 HydrophobicContact CG2-CE2 4.01Å; V337-F346 HydrophobicContact CG2-CZ 4.07Å; V337-F400 HydrophobicContact CG2-CD2 4.19Å; V337-F400 HydrophobicContact CG2-CE2 3.39Å; V337-F400 HydrophobicContact CG2-CZ 3.96Å; V337-H407 PolarHBondContact O-NE2 2.88Å |
| 338 | G | 86.8 | Confident | 93.1 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 56% | 0.557 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y281 A336 | Y281-G338 VanDerWaalsContact OH-C 3.32Å; Y281-G338 PolarHBondContact OH-O 3.03Å; A336-G338 PolarHBondContact O-N 3.23Å |
| 339 | H | 88.2 | Confident | 93 | Very high | 31 Ų | 31 | 44 Ų | 44 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -108.5 | 135.2 | -169.8 | -174.3 | -118.3 | 0 | 0 | 0 | 113.2 | N280 Y281 A336 V337 N341 T342 W343 | N280-H339 VanDerWaalsContact ND2-CB 3.26Å; N280-H339 WeakPolarHBondContact ND2-CB 3.29Å; N280-H339 PolarHBondContact O-CE1 3.43Å; N280-H339 PolarHBondContact O-NE2 2.94Å; N280-H339 PolarHBondContact OD1-ND1 2.85Å; Y281-H339 AromaticContact CD1-CD2 3.6Å; Y281-H339 HydrophobicContact CE1-CB 4.08Å; Y281-H339 AromaticContact CE1-CD2 3.38Å; Y281-H339 WeakPolarHBondContact CE1-CD2 3.46Å; A336-H339 PolarHBondContact O-N 2.87Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.42Å; H339-N341 VanDerWaalsContact C-N 3.32Å; H339-N341 PolarHBondContact O-N 3.09Å; H339-T342 WeakPolarHBondContact CB-OG1 3.32Å; H339-T342 PolarHBondContact O-N 3.46Å; H339-T342 PolarHBondContact O-OG1 3.32Å; H339-W343 WeakPolarHBondContact O-CB 3.32Å; H339-W343 PolarHBondContact O-N 3.09Å |
| 340 | A | 89.2 | Confident | 92.9 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 63% | 0.628 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.6 | -34.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 341 | N | 90.5 | Very high | 92.8 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -51.5 | 179.1 | -175.3 | 27 | 0 | 0 | 0 | 111.2 | S297 H339 Q344 | S297-N341 PolarHBondContact O-ND2 3.02Å; H339-N341 VanDerWaalsContact C-N 3.32Å; H339-N341 PolarHBondContact O-N 3.09Å; N341-Q344 WeakPolarHBondContact O-CB 3.35Å; N341-Q344 WeakPolarHBondContact O-CG 3.48Å; N341-Q344 PolarHBondContact O-N 3.17Å |
| 342 | T | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.8 | -27.5 | -179.6 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | L276 A301 V302 V305 A336 H339 Q344 V345 F346 | L276-T342 HydrophobicContact CD1-CG2 4.43Å; A301-T342 HydrophobicContact CB-CG2 3.95Å; V302-T342 HydrophobicContact CG2-CG2 4.5Å; V305-T342 HydrophobicContact CG2-CG2 3.75Å; A336-T342 PolarHBondContact O-OG1 3.43Å; H339-T342 WeakPolarHBondContact CB-OG1 3.32Å; H339-T342 PolarHBondContact O-N 3.46Å; H339-T342 PolarHBondContact O-OG1 3.32Å; T342-Q344 PolarHBondContact O-N 3.28Å; T342-Q344 VanDerWaalsContact O-N 3.13Å; T342-V345 WeakPolarHBondContact O-CB 3.08Å; T342-V345 WeakPolarHBondContact O-CG2 3.34Å; T342-V345 PolarHBondContact O-N 3.33Å; T342-F346 WeakPolarHBondContact O-CD2 3.49Å |
| 343 | W | 93.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.4 | -30.6 | 173.8 | 179 | -112.3 | 0 | 0 | 0 | 113.2 | V337 H339 V345 F346 K347 I350 H407 L410 | V337-W343 HydrophobicContact CG1-CE3 4.19Å; V337-W343 HydrophobicContact CG1-CZ3 3.97Å; H339-W343 WeakPolarHBondContact O-CB 3.32Å; H339-W343 PolarHBondContact O-N 3.09Å; W343-V345 PolarHBondContact O-N 3.37Å; W343-V345 VanDerWaalsContact O-N 3.16Å; W343-F346 HydrophobicContact CE3-CB 3.98Å; W343-F346 HydrophobicContact CE3-CD2 4.17Å; W343-F346 HydrophobicContact CE3-CG 4.42Å; W343-F346 HydrophobicContact CH2-CB 4.37Å; W343-F346 HydrophobicContact CZ3-CB 3.85Å; W343-F346 HydrophobicContact CZ3-CG 4.44Å; W343-F346 PolarHBondContact O-N 2.7Å; W343-K347 PolarHBondContact O-N 2.84Å; W343-I350 HydrophobicContact CH2-CB 4.37Å; W343-I350 HydrophobicContact CH2-CG1 4.11Å; W343-I350 HydrophobicContact CH2-CG2 4.38Å; W343-I350 HydrophobicContact CZ3-CG1 4.43Å; W343-H407 AromaticContact CD2-CE1 3.71Å; W343-H407 AromaticContact CD2-NE2 3.92Å; W343-H407 AromaticContact CE2-CE1 3.91Å; W343-H407 AromaticContact CE3-CE1 3.82Å; W343-H407 AromaticContact CE3-NE2 3.53Å; W343-H407 AromaticContact CZ3-CD2 3.83Å; W343-H407 AromaticContact CZ3-NE2 3.7Å; W343-L410 HydrophobicContact CH2-CD1 3.79Å |
| 344 | Q | 92.5 | Very high | 92.6 | Very high | 137 Ų | 137 | 48.8 Ų | 48.8 | 64% | 0.64 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.5 | -26.9 | 177.5 | -60.3 | -177.1 | 12.5 | 0 | 0 | 113 | N341 T342 F346 | N341-Q344 WeakPolarHBondContact O-CB 3.35Å; N341-Q344 WeakPolarHBondContact O-CG 3.48Å; N341-Q344 PolarHBondContact O-N 3.17Å; T342-Q344 PolarHBondContact O-N 3.28Å; T342-Q344 VanDerWaalsContact O-N 3.13Å; Q344-F346 VanDerWaalsContact C-N 3.29Å |
| 345 | V | 94.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68 | -32.8 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | V302 V305 R306 L309 T342 W343 Q349 | V302-V345 HydrophobicContact CG1-CG2 3.8Å; V305-V345 HydrophobicContact CG1-CB 4.14Å; V305-V345 HydrophobicContact CG1-CG1 4.14Å; V305-V345 HydrophobicContact CG1-CG2 4.24Å; R306-V345 HydrophobicContact CG-CG1 3.73Å; R306-V345 HydrophobicContact CG-CG2 4.09Å; L309-V345 HydrophobicContact CD2-CG1 3.9Å; T342-V345 WeakPolarHBondContact O-CB 3.08Å; T342-V345 WeakPolarHBondContact O-CG2 3.34Å; T342-V345 PolarHBondContact O-N 3.33Å; W343-V345 PolarHBondContact O-N 3.37Å; W343-V345 VanDerWaalsContact O-N 3.16Å; V345-Q349 PolarHBondContact O-NE2 3.45Å |
| 346 | F | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -92 | -32.2 | -175.8 | -58 | -78.9 | 0 | 0 | 0 | 113.1 | V305 L309 L333 A336 V337 T342 W343 Q344 D348 Q349 I350 F400 | V305-F346 HydrophobicContact CG1-CE2 3.74Å; V305-F346 HydrophobicContact CG1-CZ 3.62Å; L309-F346 HydrophobicContact CD1-CE1 4.43Å; L333-F346 HydrophobicContact CB-CE1 4.43Å; L333-F346 HydrophobicContact CB-CZ 4.2Å; L333-F346 HydrophobicContact CD2-CE1 4Å; L333-F346 HydrophobicContact CD2-CZ 3.75Å; A336-F346 HydrophobicContact CB-CE2 3.93Å; A336-F346 HydrophobicContact CB-CZ 4.11Å; V337-F346 HydrophobicContact CG2-CD2 4.26Å; V337-F346 HydrophobicContact CG2-CE1 4.39Å; V337-F346 HydrophobicContact CG2-CE2 4.01Å; V337-F346 HydrophobicContact CG2-CZ 4.07Å; T342-F346 WeakPolarHBondContact O-CD2 3.49Å; W343-F346 HydrophobicContact CE3-CB 3.98Å; W343-F346 HydrophobicContact CE3-CD2 4.17Å; W343-F346 HydrophobicContact CE3-CG 4.42Å; W343-F346 HydrophobicContact CH2-CB 4.37Å; W343-F346 HydrophobicContact CZ3-CB 3.85Å; W343-F346 HydrophobicContact CZ3-CG 4.44Å; W343-F346 PolarHBondContact O-N 2.7Å; Q344-F346 VanDerWaalsContact C-N 3.29Å; F346-D348 PolarHBondContact O-N 3.06Å; F346-Q349 CarbonylContact O-C 3.57Å; F346-Q349 PolarHBondContact O-N 3.45Å; F346-I350 HydrophobicContact CB-CB 4.21Å; F346-I350 HydrophobicContact CB-CD1 4.15Å; F346-I350 HydrophobicContact CD1-CD1 4.1Å; F346-I350 HydrophobicContact CG-CD1 4.43Å; F346-I350 WeakPolarHBondContact O-CA 3.42Å; F346-I350 WeakPolarHBondContact O-CB 3.17Å; F346-I350 PolarHBondContact O-N 2.94Å; F346-F400 HydrophobicContact CD1-CZ 4.45Å; F346-F400 HydrophobicContact CE1-CE2 4.13Å; F346-F400 HydrophobicContact CE1-CZ 4.12Å; F346-F400 HydrophobicContact CZ-CE2 4.45Å |
| 347 | K | 87.2 | Confident | 92.5 | Very high | 136 Ų | 136 | 50.5 Ų | 50.5 | 59% | 0.591 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.2 | -45 | -164.8 | -175.1 | -176.1 | 172.1 | -170 | 0 | 115.4 | W343 | W343-K347 PolarHBondContact O-N 2.84Š|
| 348 | D | 90.1 | Very high | 92.6 | Very high | 146 Ų | 146 | 50.5 Ų | 50.5 | 78% | 0.781 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -16.3 | -173.3 | -58.2 | -33.8 | 0 | 0 | 0 | 113.8 | F346 | F346-D348 PolarHBondContact O-N 3.06Š|
| 349 | Q | 93.1 | Very high | 93 | Very high | 81 Ų | 81 | 49 Ų | 49 | 38% | 0.379 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 2.1 | -174.1 | 64.7 | -175.6 | -30.5 | 0 | 0 | 114.1 | V345 F346 M351 D352 V353 | V345-Q349 PolarHBondContact O-NE2 3.45Å; F346-Q349 CarbonylContact O-C 3.57Å; F346-Q349 PolarHBondContact O-N 3.45Å; Q349-M351 PolarHBondContact O-N 3.07Å; Q349-M351 VanDerWaalsContact O-N 3.1Å; Q349-D352 WeakPolarHBondContact O-CA 3.47Å; Q349-D352 WeakPolarHBondContact O-CB 3.46Å; Q349-D352 PolarHBondContact O-N 3.27Å; Q349-V353 HydrophobicContact CG-CG2 4.28Å; Q349-V353 WeakPolarHBondContact O-CG2 3.42Å; Q349-V353 PolarHBondContact O-N 3.12Å |
| 350 | I | 94.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57 | -32.9 | -172.4 | -174.8 | 56.5 | 0 | 0 | 0 | 113.2 | W343 F346 V353 I354 F400 L410 | W343-I350 HydrophobicContact CH2-CB 4.37Å; W343-I350 HydrophobicContact CH2-CG1 4.11Å; W343-I350 HydrophobicContact CH2-CG2 4.38Å; W343-I350 HydrophobicContact CZ3-CG1 4.43Å; F346-I350 HydrophobicContact CB-CB 4.21Å; F346-I350 HydrophobicContact CB-CD1 4.15Å; F346-I350 HydrophobicContact CD1-CD1 4.1Å; F346-I350 HydrophobicContact CG-CD1 4.43Å; F346-I350 WeakPolarHBondContact O-CA 3.42Å; F346-I350 WeakPolarHBondContact O-CB 3.17Å; F346-I350 PolarHBondContact O-N 2.94Å; I350-V353 HydrophobicContact CD1-CB 4.43Å; I350-V353 PolarHBondContact O-N 3.21Å; I350-I354 HydrophobicContact CD1-CD1 4.38Å; I350-I354 HydrophobicContact CD1-CG1 4.42Å; I350-I354 HydrophobicContact CG1-CD1 4.05Å; I350-I354 VanDerWaalsContact O-CG1 3.29Å; I350-I354 WeakPolarHBondContact O-CG1 3.3Å; I350-I354 PolarHBondContact O-N 3Å; I350-F400 HydrophobicContact CD1-CE1 4.33Å; I350-F400 HydrophobicContact CD1-CZ 3.97Å; I350-L410 HydrophobicContact CG1-CD1 4.05Å; I350-L410 HydrophobicContact CG2-CD2 3.84Å |
| 351 | M | 95 | Very high | 93.5 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 20% | 0.202 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -41.4 | 175.6 | -67.5 | -52.7 | -54.2 | 0 | 0 | 111.2 | Q349 V353 I354 T355 K413 V417 | Q349-M351 PolarHBondContact O-N 3.07Å; Q349-M351 VanDerWaalsContact O-N 3.1Å; M351-V353 VanDerWaalsContact C-N 3.29Å; M351-V353 PolarHBondContact O-N 2.99Å; M351-I354 PolarHBondContact O-N 2.77Å; M351-I354 HydrophobicContact SD-CD1 4.37Å; M351-T355 WeakPolarHBondContact O-CG2 3.12Å; M351-T355 PolarHBondContact O-N 3.21Å; M351-T355 PolarHBondContact O-OG1 2.54Å; M351-K413 HydrophobicContact CE-CB 3.84Å; M351-K413 HydrophobicContact CG-CD 4Å; M351-K413 HydrophobicContact SD-CB 3.62Å; M351-K413 HydrophobicContact SD-CD 3.68Å; M351-K413 HydrophobicContact SD-CG 4.33Å; M351-V417 HydrophobicContact CE-CG2 3.75Å |
| 352 | D | 95 | Very high | 93.8 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 41% | 0.412 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.1 | -57.1 | -41.2 | 0 | 0 | 0 | 110.9 | Q349 I354 T355 Q356 | Q349-D352 WeakPolarHBondContact O-CA 3.47Å; Q349-D352 WeakPolarHBondContact O-CB 3.46Å; Q349-D352 PolarHBondContact O-N 3.27Å; D352-I354 VanDerWaalsContact C-N 3.34Å; D352-I354 PolarHBondContact O-N 2.96Å; D352-T355 PolarHBondContact O-N 3.06Å; D352-Q356 WeakPolarHBondContact O-CA 2.98Å; D352-Q356 VanDerWaalsContact O-CB 3.24Å; D352-Q356 WeakPolarHBondContact O-CB 3.07Å; D352-Q356 PolarHBondContact O-N 3.18Å |
| 353 | V | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -60.1 | -45.6 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 111 | L309 M313 Q349 I350 M351 G357 I358 F400 | L309-V353 HydrophobicContact CD1-CB 4.4Å; L309-V353 HydrophobicContact CD1-CG1 3.77Å; L309-V353 HydrophobicContact CD1-CG2 3.65Å; L309-V353 HydrophobicContact CD2-CG2 4.43Å; M313-V353 HydrophobicContact SD-CB 4.33Å; M313-V353 HydrophobicContact SD-CG1 4.36Å; M313-V353 HydrophobicContact SD-CG2 4.2Å; Q349-V353 HydrophobicContact CG-CG2 4.28Å; Q349-V353 WeakPolarHBondContact O-CG2 3.42Å; Q349-V353 PolarHBondContact O-N 3.12Å; I350-V353 HydrophobicContact CD1-CB 4.43Å; I350-V353 PolarHBondContact O-N 3.21Å; M351-V353 VanDerWaalsContact C-N 3.29Å; M351-V353 PolarHBondContact O-N 2.99Å; V353-G357 CarbonylContact O-C 3.56Å; V353-G357 VanDerWaalsContact O-CA 3.23Å; V353-G357 WeakPolarHBondContact O-CA 3.3Å; V353-G357 PolarHBondContact O-N 3.27Å; V353-I358 PolarHBondContact O-N 3.27Å; V353-F400 HydrophobicContact CG1-CE1 4.02Å; V353-F400 HydrophobicContact CG1-CZ 4.11Å |
| 354 | I | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -65.4 | -47.6 | 178.7 | -69 | 165.2 | 0 | 0 | 0 | 110.7 | I350 M351 D352 I358 F359 L401 I414 M438 | I350-I354 HydrophobicContact CD1-CD1 4.38Å; I350-I354 HydrophobicContact CD1-CG1 4.42Å; I350-I354 HydrophobicContact CG1-CD1 4.05Å; I350-I354 VanDerWaalsContact O-CG1 3.29Å; I350-I354 WeakPolarHBondContact O-CG1 3.3Å; I350-I354 PolarHBondContact O-N 3Å; M351-I354 PolarHBondContact O-N 2.77Å; M351-I354 HydrophobicContact SD-CD1 4.37Å; D352-I354 VanDerWaalsContact C-N 3.34Å; D352-I354 PolarHBondContact O-N 2.96Å; I354-I358 WeakPolarHBondContact O-CB 3.43Å; I354-I358 PolarHBondContact O-N 3.25Å; I354-F359 WeakPolarHBondContact O-CB 3.27Å; I354-F359 PolarHBondContact O-N 3.43Å; I354-L401 HydrophobicContact CG2-CD1 4.33Å; I354-I414 HydrophobicContact CD1-CD1 4.06Å; I354-I414 HydrophobicContact CD1-CG1 4.13Å; I354-M438 HydrophobicContact CG2-CE 3.84Å |
| 355 | T | 94.8 | Very high | 93.8 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -80.3 | -30.9 | -172.6 | 55.1 | 0 | 0 | 0 | 0 | 114 | M351 D352 V417 | M351-T355 WeakPolarHBondContact O-CG2 3.12Å; M351-T355 PolarHBondContact O-N 3.21Å; M351-T355 PolarHBondContact O-OG1 2.54Å; D352-T355 PolarHBondContact O-N 3.06Å; T355-V417 HydrophobicContact CG2-CG1 4.25Å; T355-V417 HydrophobicContact CG2-CG2 4.14Å |
| 356 | Q | 92.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 47.2 Ų | 47.2 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -106.2 | -28.7 | -176.1 | -56.4 | 175.9 | 20.5 | 0 | 0 | 112.8 | M313 D352 P360 | M313-Q356 HydrophobicContact CE-CB 3.99Å; D352-Q356 WeakPolarHBondContact O-CA 2.98Å; D352-Q356 VanDerWaalsContact O-CB 3.24Å; D352-Q356 WeakPolarHBondContact O-CB 3.07Å; D352-Q356 PolarHBondContact O-N 3.18Å; Q356-P360 WeakPolarHBondContact O-CG 3.43Å |
| 357 | G | 92.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -98.3 | -41 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | V353 L361 | V353-G357 CarbonylContact O-C 3.56Å; V353-G357 VanDerWaalsContact O-CA 3.23Å; V353-G357 WeakPolarHBondContact O-CA 3.3Å; V353-G357 PolarHBondContact O-N 3.27Å; G357-L361 WeakPolarHBondContact O-CD1 3.38Å |
| 358 | I | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -95.1 | -49.1 | -173.2 | -56.5 | -60.4 | 0 | 0 | 0 | 111.5 | L330 V353 I354 L361 L362 A397 F400 | L330-I358 HydrophobicContact CD2-CD1 3.37Å; V353-I358 PolarHBondContact O-N 3.27Å; I354-I358 WeakPolarHBondContact O-CB 3.43Å; I354-I358 PolarHBondContact O-N 3.25Å; I358-L361 WeakPolarHBondContact O-CB 3.49Å; I358-L361 PolarHBondContact O-N 3.04Å; I358-L362 HydrophobicContact CG2-CD1 3.95Å; I358-L362 HydrophobicContact CG2-CG 4.34Å; I358-L362 PolarHBondContact O-N 2.92Å; I358-A397 HydrophobicContact CD1-CB 4.39Å; I358-A397 HydrophobicContact CG2-CB 4.04Å; I358-F400 HydrophobicContact CD1-CB 4.41Å; I358-F400 HydrophobicContact CD1-CD1 3.42Å; I358-F400 VanDerWaalsContact CD1-CD1 3.42Å; I358-F400 HydrophobicContact CD1-CE1 3.94Å; I358-F400 HydrophobicContact CD1-CG 4.12Å; I358-F400 HydrophobicContact CG1-CD1 3.59Å; I358-F400 HydrophobicContact CG1-CE1 3.81Å |
| 359 | F | 96 | Very high | 93.7 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -44.7 | -174.5 | 178.8 | -111.5 | 0 | 0 | 0 | 113.9 | I354 L361 L362 C363 V421 H431 G434 A435 M438 | I354-F359 WeakPolarHBondContact O-CB 3.27Å; I354-F359 PolarHBondContact O-N 3.43Å; F359-L361 PolarHBondContact O-N 3.4Å; F359-L362 PolarHBondContact O-N 3.25Å; F359-C363 PolarHBondContact O-N 3Å; F359-C363 PolarHBondContact O-SG 3.06Å; F359-V421 HydrophobicContact CZ-CG1 4.31Å; F359-V421 HydrophobicContact CZ-CG2 4.22Å; F359-H431 HydrophobicContact CE1-CB 4.34Å; F359-H431 AromaticContact CE1-CD2 3.63Å; F359-H431 HydrophobicContact CZ-CB 4.16Å; F359-H431 WeakPolarHBondContact CZ-O 3.29Å; F359-G434 VanDerWaalsContact CE2-C 3.47Å; F359-A435 HydrophobicContact CE2-CB 4.29Å; F359-M438 HydrophobicContact CB-SD 4.41Å; F359-M438 HydrophobicContact CD2-CG 4.3Å; F359-M438 HydrophobicContact CD2-SD 3.47Å; F359-M438 WeakPolarHBondContact CD2-SD 3.44Å; F359-M438 HydrophobicContact CE2-SD 4.14Å; F359-M438 HydrophobicContact CG-SD 4.37Å |
| 360 | P | 94.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -30.1 | 176.6 | -24.9 | 36.5 | 0 | 0 | 0 | 113.9 | Q356 L362 | Q356-P360 WeakPolarHBondContact O-CG 3.43Å; P360-L362 VanDerWaalsContact C-N 3.28Å |
| 361 | L | 94.4 | Very high | 93.6 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.8 | -17.4 | 176.2 | -59.6 | 176.1 | 0 | 0 | 0 | 112.9 | L326 L330 G357 I358 F359 V394 A397 | L326-L361 HydrophobicContact CD2-CD1 3.97Å; L326-L361 HydrophobicContact CD2-CD2 3.76Å; L326-L361 HydrophobicContact CG-CD1 4.36Å; L330-L361 HydrophobicContact CD1-CD1 3.85Å; L330-L361 HydrophobicContact CD2-CD1 4.49Å; G357-L361 WeakPolarHBondContact O-CD1 3.38Å; I358-L361 WeakPolarHBondContact O-CB 3.49Å; I358-L361 PolarHBondContact O-N 3.04Å; F359-L361 PolarHBondContact O-N 3.4Å; L361-V394 WeakPolarHBondContact O-CG2 3.49Å; L361-A397 HydrophobicContact CB-CB 4.11Å; L361-A397 HydrophobicContact CD1-CB 4.16Å |
| 362 | L | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -93.2 | -14.4 | 177.7 | -63.3 | 178.7 | 0 | 0 | 0 | 112.4 | I358 F359 P360 V394 A397 A398 L401 H437 M438 | I358-L362 HydrophobicContact CG2-CD1 3.95Å; I358-L362 HydrophobicContact CG2-CG 4.34Å; I358-L362 PolarHBondContact O-N 2.92Å; F359-L362 PolarHBondContact O-N 3.25Å; P360-L362 VanDerWaalsContact C-N 3.28Å; L362-V394 HydrophobicContact CD2-CG1 4.31Å; L362-A397 HydrophobicContact CD2-CB 4.09Å; L362-A398 HydrophobicContact CD2-CB 4.29Å; L362-L401 HydrophobicContact CD1-CD2 4.11Å; L362-H437 HydrophobicContact CB-CB 4.27Å; L362-H437 PolarHBondContact O-ND1 3.48Å; L362-M438 HydrophobicContact CD1-CG 3.49Å; L362-M438 VanDerWaalsContact CD1-CG 3.49Å |
| 363 | C | 95.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 9% | 0.088 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -76 | 143.8 | 173.6 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | F359 S365 Q430 | F359-C363 PolarHBondContact O-N 3Å; F359-C363 PolarHBondContact O-SG 3.06Å; C363-S365 PolarHBondContact O-N 3.48Å; C363-Q430 HydrophobicContact CB-CB 4.39Å; C363-Q430 WeakPolarHBondContact CB-O 3.49Å; C363-Q430 PolarHBondContact SG-O 3.46Å; C363-Q430 VanDerWaalsContact SG-O 3.36Å |
| 364 | H | 94 | Very high | 93.5 | Very high | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | trans | -52.2 | 119.6 | 168.9 | -167.9 | 83 | 0 | 0 | 0 | 111.6 | D368 E369 W372 Q430 D433 F474 | H364-D368 VanDerWaalsContact CE1-CB 3.4Å; H364-D368 WeakPolarHBondContact CE1-CB 3.17Å; H364-E369 IonicContact CD2-OE2 3.9Å; H364-E369 IonicContact CE1-OE2 3.5Å; H364-E369 PolarHBondContact NE2-N 2.93Å; H364-E369 IonicContact NE2-OE2 2.77Å; H364-E369 PolarHBondContact NE2-OE2 3.15Å; H364-W372 AromaticContact CE1-CE3 3.98Å; H364-Q430 WeakPolarHBondContact O-CG 3.41Å; H364-D433 HydrophobicContact CB-CB 4.34Å; H364-D433 PolarHBondContact N-OD2 3.19Å; H364-F474 HydrophobicContact CB-CD2 3.9Å; H364-F474 HydrophobicContact CB-CE2 4.04Å; H364-F474 HydrophobicContact CB-CG 4.24Å; H364-F474 HydrophobicContact CB-CZ 4.46Å; H364-F474 AromaticContact CD2-CD1 3.58Å; H364-F474 AromaticContact CD2-CE1 3.85Å; H364-F474 AromaticContact CD2-CG 3.82Å; H364-F474 AromaticContact CG-CD2 3.97Å; H364-F474 AromaticContact CG-CG 3.78Å; H364-F474 AromaticContact ND1-CG 3.98Å; H364-F474 AromaticContact NE2-CD1 3.73Å | ||
| 365 | S | 91.4 | Very high | 93.4 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | trans | -88.3 | 174.5 | -173.5 | 70 | 0 | 0 | 0 | 0 | 112.6 | C363 E367 D368 E369 | C363-S365 PolarHBondContact O-N 3.48Å; S365-E367 VanDerWaalsContact C-N 3.33Å; S365-E367 WeakPolarHBondContact CB-OE2 3.32Å; S365-E367 PolarHBondContact OG-OE2 3.24Å; S365-D368 WeakPolarHBondContact CB-OD2 3.37Å; S365-D368 PolarHBondContact N-OD2 2.86Å; S365-D368 PolarHBondContact OG-N 3.11Å; S365-D368 PolarHBondContact OG-OD2 3.38Å; S365-E369 PolarHBondContact O-N 3.16Å | ||
| 366 | K | 89.7 | Confident | 93.3 | Very high | 144 Ų | 144 | 57.4 Ų | 57.4 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -72.4 | -35.7 | 175.4 | -71.9 | 170.1 | -179.1 | 154.1 | 0 | 110.2 | E317 E369 E370 | E317-K366 IonicContact OE1-NZ 3.7Å; E317-K366 PolarHBondContact OE1-NZ 3.17Å; K366-E369 PolarHBondContact O-N 3.05Å; K366-E370 WeakPolarHBondContact O-CB 3.42Å; K366-E370 PolarHBondContact O-N 2.94Å |
| 367 | E | 87.4 | Confident | 93.2 | Very high | 135 Ų | 135 | 54.1 Ų | 54.1 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 175.3 | -61.5 | 81.3 | 177 | 0 | 0 | 110.9 | S365 E369 E370 L371 | S365-E367 VanDerWaalsContact C-N 3.33Å; S365-E367 WeakPolarHBondContact CB-OE2 3.32Å; S365-E367 PolarHBondContact OG-OE2 3.24Å; E367-E369 VanDerWaalsContact C-N 3.33Å; E367-E369 PolarHBondContact O-N 3.46Å; E367-E370 PolarHBondContact O-N 3.24Å; E367-L371 WeakPolarHBondContact O-CB 3.41Å; E367-L371 PolarHBondContact O-N 2.87Å |
| 368 | D | 91.7 | Very high | 92.9 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 173.8 | -64.7 | -47.5 | 0 | 0 | 0 | 111.7 | H364 S365 W372 Y379 | H364-D368 VanDerWaalsContact CE1-CB 3.4Å; H364-D368 WeakPolarHBondContact CE1-CB 3.17Å; S365-D368 WeakPolarHBondContact CB-OD2 3.37Å; S365-D368 PolarHBondContact N-OD2 2.86Å; S365-D368 PolarHBondContact OG-N 3.11Å; S365-D368 PolarHBondContact OG-OD2 3.38Å; D368-W372 VanDerWaalsContact O-CB 3.29Å; D368-W372 WeakPolarHBondContact O-CB 3.26Å; D368-W372 PolarHBondContact O-N 2.93Å; D368-Y379 HydrophobicContact CB-CE2 4.14Å |
| 369 | E | 94.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 179.8 | -170.6 | 65.2 | -167.8 | 0 | 0 | 112.2 | H364 S365 K366 E367 W372 E373 R473 | H364-E369 IonicContact CD2-OE2 3.9Å; H364-E369 IonicContact CE1-OE2 3.5Å; H364-E369 PolarHBondContact NE2-N 2.93Å; H364-E369 IonicContact NE2-OE2 2.77Å; H364-E369 PolarHBondContact NE2-OE2 3.15Å; S365-E369 PolarHBondContact O-N 3.16Å; K366-E369 PolarHBondContact O-N 3.05Å; E367-E369 VanDerWaalsContact C-N 3.33Å; E367-E369 PolarHBondContact O-N 3.46Å; E369-W372 PolarHBondContact O-N 3.43Å; E369-E373 WeakPolarHBondContact O-CB 3.33Å; E369-E373 PolarHBondContact O-N 3.23Å; E369-R473 IonicContact OE1-CZ 3.56Å; E369-R473 VanDerWaalsContact OE1-CZ 3.26Å; E369-R473 IonicContact OE1-NE 3.67Å; E369-R473 PolarHBondContact OE1-NE 3.43Å; E369-R473 IonicContact OE1-NH2 2.91Å; E369-R473 PolarHBondContact OE1-NH2 2.85Å |
| 370 | E | 93.1 | Very high | 92.5 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 177 | -177.9 | 170.4 | -169 | 0 | 0 | 111.4 | K366 E367 E373 N374 | K366-E370 WeakPolarHBondContact O-CB 3.42Å; K366-E370 PolarHBondContact O-N 2.94Å; E367-E370 PolarHBondContact O-N 3.24Å; E370-E373 PolarHBondContact O-N 3.49Å; E370-N374 VanDerWaalsContact CG-ND2 3.31Å; E370-N374 WeakPolarHBondContact CG-ND2 3.45Å; E370-N374 VanDerWaalsContact O-CB 3.32Å; E370-N374 WeakPolarHBondContact O-CB 3.49Å; E370-N374 VanDerWaalsContact O-CG 3.29Å; E370-N374 PolarHBondContact O-N 3.45Å; E370-N374 PolarHBondContact O-ND2 3.02Å; E370-N374 VanDerWaalsContact O-ND2 3.11Å |
| 371 | L | 91.7 | Very high | 92 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.6 | -177 | 60.3 | 0 | 0 | 0 | 111 | E367 E373 N374 D375 E378 Y379 F382 | E367-L371 WeakPolarHBondContact O-CB 3.41Å; E367-L371 PolarHBondContact O-N 2.87Å; L371-E373 VanDerWaalsContact C-N 3.34Å; L371-E373 PolarHBondContact O-N 3.25Å; L371-N374 PolarHBondContact O-N 3.12Å; L371-D375 CarbonylContact O-C 3.38Å; L371-D375 PolarHBondContact O-N 3.26Å; L371-D375 VanDerWaalsContact O-O 3.07Å; L371-E378 HydrophobicContact CD1-CB 4.15Å; L371-E378 HydrophobicContact CD1-CG 4.05Å; L371-Y379 HydrophobicContact CD2-CD2 4.28Å; L371-Y379 HydrophobicContact CG-CD2 4.41Å; L371-F382 HydrophobicContact CD2-CB 4.29Å |
| 372 | W | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.2 | -168.9 | -43 | 0 | 0 | 0 | 111.8 | H364 D368 E369 P376 Y379 R473 F474 A477 E513 P515 V516 | H364-W372 AromaticContact CE1-CE3 3.98Å; D368-W372 VanDerWaalsContact O-CB 3.29Å; D368-W372 WeakPolarHBondContact O-CB 3.26Å; D368-W372 PolarHBondContact O-N 2.93Å; E369-W372 PolarHBondContact O-N 3.43Å; W372-P376 WeakPolarHBondContact O-CD 3.16Å; W372-Y379 HydrophobicContact CB-CD2 4.17Å; W372-Y379 HydrophobicContact CB-CG 4.34Å; W372-Y379 HydrophobicContact CD2-CD1 4.45Å; W372-Y379 HydrophobicContact CD2-CE1 4.46Å; W372-Y379 HydrophobicContact CE3-CD1 4.04Å; W372-Y379 HydrophobicContact CE3-CD2 4.35Å; W372-Y379 AromaticContact CE3-CE1 3.64Å; W372-Y379 HydrophobicContact CE3-CE1 3.64Å; W372-Y379 AromaticContact CE3-CE2 3.99Å; W372-Y379 HydrophobicContact CE3-CE2 3.99Å; W372-Y379 HydrophobicContact CE3-CG 4.38Å; W372-Y379 AromaticContact CE3-CZ 3.62Å; W372-Y379 AromaticContact CZ3-CE1 3.82Å; W372-Y379 HydrophobicContact CZ3-CE1 3.82Å; W372-Y379 AromaticContact CZ3-CZ 3.91Å; W372-R473 HydrophobicContact CZ2-CB 4.14Å; W372-R473 HydrophobicContact CZ2-CG 4.29Å; W372-F474 HydrophobicContact CE3-CB 4.39Å; W372-F474 HydrophobicContact CH2-CB 4.12Å; W372-F474 HydrophobicContact CZ3-CB 3.74Å; W372-A477 HydrophobicContact CH2-CB 3.68Å; W372-A477 HydrophobicContact CZ3-CB 4.31Å; W372-E513 HydrophobicContact CZ2-CB 4.22Å; W372-E513 PolarHBondContact NE1-OE2 3.07Å; W372-P515 HydrophobicContact CD2-CB 4.36Å; W372-P515 HydrophobicContact CD2-CG 3.97Å; W372-P515 HydrophobicContact CE3-CB 4.42Å; W372-P515 HydrophobicContact CE3-CG 4.46Å; W372-P515 HydrophobicContact CG-CG 4.45Å; W372-P515 HydrophobicContact CH2-CB 3.73Å; W372-P515 HydrophobicContact CH2-CG 4.3Å; W372-P515 HydrophobicContact CZ2-CB 3.63Å; W372-P515 HydrophobicContact CZ2-CG 3.77Å; W372-P515 HydrophobicContact CZ3-CB 4.13Å; W372-V516 HydrophobicContact CH2-CG2 4.3Å; W372-V516 HydrophobicContact CZ2-CG2 4.11Å |
| 373 | E | 94.1 | Very high | 91 | Very high | 134 Ų | 134 | 63.4 Ų | 63.4 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | -179.6 | -169.2 | 172.6 | 179.8 | 0 | 0 | 112.9 | E369 E370 L371 | E369-E373 WeakPolarHBondContact O-CB 3.33Å; E369-E373 PolarHBondContact O-N 3.23Å; E370-E373 PolarHBondContact O-N 3.49Å; L371-E373 VanDerWaalsContact C-N 3.34Å; L371-E373 PolarHBondContact O-N 3.25Å |
| 374 | N | 94.3 | Very high | 90.3 | Very high | 117 Ų | 117 | 65.5 Ų | 65.5 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -80.5 | -41.9 | -175.3 | -70 | -35.2 | 0 | 0 | 0 | 112.7 | E370 L371 | E370-N374 VanDerWaalsContact CG-ND2 3.31Å; E370-N374 WeakPolarHBondContact CG-ND2 3.45Å; E370-N374 VanDerWaalsContact O-CB 3.32Å; E370-N374 WeakPolarHBondContact O-CB 3.49Å; E370-N374 VanDerWaalsContact O-CG 3.29Å; E370-N374 PolarHBondContact O-N 3.45Å; E370-N374 PolarHBondContact O-ND2 3.02Å; E370-N374 VanDerWaalsContact O-ND2 3.11Å; L371-N374 PolarHBondContact O-N 3.12Å |
| 375 | D | 94.2 | Very high | 89.5 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -150.6 | 83.9 | -175.9 | -163.6 | -29.6 | 0 | 0 | 0 | 110.9 | L371 Q377 E378 Y379 | L371-D375 CarbonylContact O-C 3.38Å; L371-D375 PolarHBondContact O-N 3.26Å; L371-D375 VanDerWaalsContact O-O 3.07Å; D375-Q377 PolarHBondContact O-N 3.22Å; D375-Q377 PolarHBondContact OD1-N 3.48Å; D375-Q377 PolarHBondContact OD1-OE1 3.03Å; D375-E378 HydrophobicContact CB-CB 3.87Å; D375-E378 VanDerWaalsContact CG-CB 3.45Å; D375-E378 PolarHBondContact O-N 2.85Å; D375-E378 PolarHBondContact OD1-N 3.39Å; D375-Y379 PolarHBondContact O-N 3.1Å | ||
| 376 | P | 92.6 | Very high | 88.6 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -22.7 | -179.1 | 24.9 | -32.2 | 0 | 0 | 0 | 113 | W372 V380 P515 | W372-P376 WeakPolarHBondContact O-CD 3.16Å; P376-V380 WeakPolarHBondContact O-CG2 3.25Å; P376-V380 PolarHBondContact O-N 3.29Å; P376-P515 HydrophobicContact CB-CG 4.13Å |
| 377 | Q | 90 | Very high | 87.6 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.4 | -45.4 | 174.1 | -66 | 82.8 | -5.4 | 0 | 0 | 110.4 | D375 Y379 V380 R381 I514 E570 | D375-Q377 PolarHBondContact O-N 3.22Å; D375-Q377 PolarHBondContact OD1-N 3.48Å; D375-Q377 PolarHBondContact OD1-OE1 3.03Å; Q377-Y379 VanDerWaalsContact C-N 3.32Å; Q377-Y379 PolarHBondContact O-N 3.07Å; Q377-V380 PolarHBondContact O-N 3.08Å; Q377-R381 PolarHBondContact O-N 3Å; Q377-I514 HydrophobicContact CG-CD1 4.36Å; Q377-I514 VanDerWaalsContact NE2-CD1 3.34Å; Q377-E570 HydrophobicContact CG-CB 4.48Å |
| 378 | E | 87.7 | Confident | 86.8 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 175.3 | -169.8 | 66.8 | -178.9 | 0 | 0 | 112.1 | L371 D375 V380 R381 F382 | L371-E378 HydrophobicContact CD1-CB 4.15Å; L371-E378 HydrophobicContact CD1-CG 4.05Å; D375-E378 HydrophobicContact CB-CB 3.87Å; D375-E378 VanDerWaalsContact CG-CB 3.45Å; D375-E378 PolarHBondContact O-N 2.85Å; D375-E378 PolarHBondContact OD1-N 3.39Å; E378-V380 VanDerWaalsContact C-N 3.3Å; E378-V380 PolarHBondContact O-N 3.11Å; E378-R381 PolarHBondContact O-N 3.29Å; E378-R381 WeakPolarHBondContact OE2-CD 3.37Å; E378-R381 IonicContact OE2-NH1 3.7Å; E378-F382 WeakPolarHBondContact O-CB 3.43Å; E378-F382 PolarHBondContact O-N 3.47Å |
| 379 | Y | 91.4 | Very high | 85.8 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 8% | 0.082 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 171.1 | 178.4 | -90 | 0 | 0 | 0 | 112.1 | D368 L371 W372 D375 Q377 K383 P515 | D368-Y379 HydrophobicContact CB-CE2 4.14Å; L371-Y379 HydrophobicContact CD2-CD2 4.28Å; L371-Y379 HydrophobicContact CG-CD2 4.41Å; W372-Y379 HydrophobicContact CB-CD2 4.17Å; W372-Y379 HydrophobicContact CB-CG 4.34Å; W372-Y379 HydrophobicContact CD2-CD1 4.45Å; W372-Y379 HydrophobicContact CD2-CE1 4.46Å; W372-Y379 HydrophobicContact CE3-CD1 4.04Å; W372-Y379 HydrophobicContact CE3-CD2 4.35Å; W372-Y379 AromaticContact CE3-CE1 3.64Å; W372-Y379 HydrophobicContact CE3-CE1 3.64Å; W372-Y379 AromaticContact CE3-CE2 3.99Å; W372-Y379 HydrophobicContact CE3-CE2 3.99Å; W372-Y379 HydrophobicContact CE3-CG 4.38Å; W372-Y379 AromaticContact CE3-CZ 3.62Å; W372-Y379 AromaticContact CZ3-CE1 3.82Å; W372-Y379 HydrophobicContact CZ3-CE1 3.82Å; W372-Y379 AromaticContact CZ3-CZ 3.91Å; D375-Y379 PolarHBondContact O-N 3.1Å; Q377-Y379 VanDerWaalsContact C-N 3.32Å; Q377-Y379 PolarHBondContact O-N 3.07Å; Y379-K383 HydrophobicContact CE1-CD 4.31Å; Y379-K383 WeakPolarHBondContact O-CB 3.44Å; Y379-K383 PolarHBondContact O-N 3.01Å; Y379-K383 VanDerWaalsContact O-N 3.12Å; Y379-P515 HydrophobicContact CD1-CB 3.89Å; Y379-P515 HydrophobicContact CD1-CG 3.86Å; Y379-P515 HydrophobicContact CE1-CB 4.05Å; Y379-P515 HydrophobicContact CE1-CG 4.46Å |
| 380 | V | 90.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | P376 Q377 E378 F382 K383 Y384 P515 V518 T571 N573 | P376-V380 WeakPolarHBondContact O-CG2 3.25Å; P376-V380 PolarHBondContact O-N 3.29Å; Q377-V380 PolarHBondContact O-N 3.08Å; E378-V380 VanDerWaalsContact C-N 3.3Å; E378-V380 PolarHBondContact O-N 3.11Å; V380-F382 PolarHBondContact O-N 2.86Å; V380-K383 PolarHBondContact O-N 2.93Å; V380-Y384 HydrophobicContact CG1-CD2 4.11Å; V380-Y384 HydrophobicContact CG1-CE2 4.46Å; V380-Y384 WeakPolarHBondContact O-CD2 3.37Å; V380-Y384 PolarHBondContact O-N 3.3Å; V380-Y384 VanDerWaalsContact O-N 3.16Å; V380-P515 HydrophobicContact CG2-CB 4.04Å; V380-P515 HydrophobicContact CG2-CG 4Å; V380-V518 HydrophobicContact CG1-CG1 4.05Å; V380-V518 HydrophobicContact CG1-CG2 4.17Å; V380-V518 HydrophobicContact CG2-CG2 4.19Å; V380-T571 HydrophobicContact CB-CG2 4.39Å; V380-T571 HydrophobicContact CG1-CG2 4.29Å; V380-T571 HydrophobicContact CG2-CG2 4.49Å; V380-N573 HydrophobicContact CG1-CB 4.1Å; V380-N573 VanDerWaalsContact CG1-ND2 3.28Å; V380-N573 WeakPolarHBondContact CG1-ND2 3.32Å |
| 381 | R | 85.1 | Confident | 84 | Confident | 88 Ų | 88 | 66.4 Ų | 66.4 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 179.3 | -70.4 | 172.8 | -179.9 | -175.8 | -4 | 112 | Q377 E378 K383 Y384 D385 T571 E572 | Q377-R381 PolarHBondContact O-N 3Å; E378-R381 PolarHBondContact O-N 3.29Å; E378-R381 WeakPolarHBondContact OE2-CD 3.37Å; E378-R381 IonicContact OE2-NH1 3.7Å; R381-K383 VanDerWaalsContact C-N 3.25Å; R381-K383 PolarHBondContact O-N 3.22Å; R381-Y384 CarbonylContact O-C 3.38Å; R381-Y384 PolarHBondContact O-N 3.27Å; R381-Y384 VanDerWaalsContact O-N 3.17Å; R381-D385 WeakPolarHBondContact O-CB 3.17Å; R381-D385 PolarHBondContact O-N 3.38Å; R381-T571 WeakPolarHBondContact CG-O 3.2Å; R381-T571 PolarHBondContact NE-O 2.69Å; R381-E572 IonicContact CZ-OE2 3.02Å; R381-E572 IonicContact NH1-OE2 2.69Å; R381-E572 VanDerWaalsContact NH2-CG 3.26Å; R381-E572 IonicContact NH2-OE1 2.66Å; R381-E572 IonicContact NH2-OE2 3.26Å; R381-E572 PolarHBondContact NH2-OE2 3.18Å |
| 382 | F | 82.7 | Confident | 83.9 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 31% | 0.311 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.1 | -38.3 | 179.4 | -177.5 | -98.5 | 0 | 0 | 0 | 112.5 | L371 E378 V380 E388 H392 | L371-F382 HydrophobicContact CD2-CB 4.29Å; E378-F382 WeakPolarHBondContact O-CB 3.43Å; E378-F382 PolarHBondContact O-N 3.47Å; V380-F382 PolarHBondContact O-N 2.86Å; F382-E388 HydrophobicContact CD2-CB 4.31Å; F382-E388 HydrophobicContact CD2-CG 4.1Å; F382-E388 HydrophobicContact CE2-CB 3.91Å; F382-E388 HydrophobicContact CE2-CG 3.72Å; F382-E388 HydrophobicContact CZ-CB 4.38Å; F382-H392 AromaticContact CZ-CD2 3.85Å |
| 383 | K | 84.5 | Confident | 83.7 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 27% | 0.265 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.5 | -33.9 | -179.9 | -174 | 176.5 | -179.3 | -174.4 | 0 | 113.5 | Y379 V380 R381 E519 | Y379-K383 HydrophobicContact CE1-CD 4.31Å; Y379-K383 WeakPolarHBondContact O-CB 3.44Å; Y379-K383 PolarHBondContact O-N 3.01Å; Y379-K383 VanDerWaalsContact O-N 3.12Å; V380-K383 PolarHBondContact O-N 2.93Å; R381-K383 VanDerWaalsContact C-N 3.25Å; R381-K383 PolarHBondContact O-N 3.22Å; K383-E519 WeakPolarHBondContact CE-OE1 3.18Å; K383-E519 VanDerWaalsContact NZ-CD 3.25Å; K383-E519 IonicContact NZ-OE1 2.78Å; K383-E519 PolarHBondContact NZ-OE1 2.94Å; K383-E519 IonicContact NZ-OE2 3.65Å |
| 384 | Y | 81.3 | Confident | 83.7 | Confident | 57 Ų | 57 | 62 Ų | 62 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -101.7 | 3.2 | -178.6 | -70.4 | -90.2 | 0 | 0 | 0 | 112.9 | V380 R381 I386 V518 E519 M522 N573 E575 | V380-Y384 HydrophobicContact CG1-CD2 4.11Å; V380-Y384 HydrophobicContact CG1-CE2 4.46Å; V380-Y384 WeakPolarHBondContact O-CD2 3.37Å; V380-Y384 PolarHBondContact O-N 3.3Å; V380-Y384 VanDerWaalsContact O-N 3.16Å; R381-Y384 CarbonylContact O-C 3.38Å; R381-Y384 PolarHBondContact O-N 3.27Å; R381-Y384 VanDerWaalsContact O-N 3.17Å; Y384-I386 PolarHBondContact O-N 3.04Å; Y384-V518 HydrophobicContact CE2-CG1 3.96Å; Y384-E519 VanDerWaalsContact OH-CD 3.24Å; Y384-E519 PolarHBondContact OH-OE1 3.21Å; Y384-M522 HydrophobicContact CE1-CG 4.22Å; Y384-N573 VanDerWaalsContact CD2-ND2 3.3Å; Y384-N573 WeakPolarHBondContact CD2-ND2 3.18Å; Y384-E575 HydrophobicContact CD1-CG 3.94Å; Y384-E575 HydrophobicContact CE1-CG 4.44Å |
| 385 | D | 77.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | trans | -72.5 | 110.6 | 172.7 | -176.8 | -12.6 | 0 | 0 | 0 | 110.2 | R381 L387 E388 D389 | R381-D385 WeakPolarHBondContact O-CB 3.17Å; R381-D385 PolarHBondContact O-N 3.38Å; D385-L387 PolarHBondContact O-N 3.32Å; D385-L387 WeakPolarHBondContact OD1-CA 3.38Å; D385-L387 WeakPolarHBondContact OD1-CB 3.18Å; D385-L387 PolarHBondContact OD1-N 3.11Å; D385-E388 HydrophobicContact CB-CB 4.32Å; D385-E388 PolarHBondContact O-N 3.27Å; D385-D389 PolarHBondContact O-N 3.41Å | ||
| 386 | I | 71.3 | Confident | 83.5 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 68% | 0.677 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56.5 | -37.9 | 178.9 | -59.5 | 170.5 | 0 | 0 | 0 | 110.9 | Y384 L390 | Y384-I386 PolarHBondContact O-N 3.04Å; I386-L390 HydrophobicContact CG2-CD1 4.26Å; I386-L390 WeakPolarHBondContact O-CD1 3.3Å; I386-L390 WeakPolarHBondContact O-CG 3.33Å; I386-L390 PolarHBondContact O-N 3.1Å |
| 387 | L | 68.6 | Low | 83.6 | Confident | 124 Ų | 124 | 53 Ų | 53 | 65% | 0.649 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -72 | -35.1 | -176.3 | -62.4 | 178.2 | 0 | 0 | 0 | 112.6 | D385 V391 | D385-L387 PolarHBondContact O-N 3.32Å; D385-L387 WeakPolarHBondContact OD1-CA 3.38Å; D385-L387 WeakPolarHBondContact OD1-CB 3.18Å; D385-L387 PolarHBondContact OD1-N 3.11Å; L387-V391 VanDerWaalsContact O-CG2 3.25Å; L387-V391 WeakPolarHBondContact O-CG2 3.24Å |
| 388 | E | 70.8 | Confident | 83.8 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 27% | 0.266 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -78.2 | -37.6 | 174.9 | -75.6 | -60.2 | 147.4 | 0 | 0 | 111.9 | R324 F382 D385 L390 V391 H392 | R324-E388 IonicContact NH2-OE1 2.69Å; R324-E388 PolarHBondContact NH2-OE1 2.89Å; R324-E388 IonicContact NH2-OE2 3.4Å; R324-E388 PolarHBondContact NH2-OE2 2.63Å; F382-E388 HydrophobicContact CD2-CB 4.31Å; F382-E388 HydrophobicContact CD2-CG 4.1Å; F382-E388 HydrophobicContact CE2-CB 3.91Å; F382-E388 HydrophobicContact CE2-CG 3.72Å; F382-E388 HydrophobicContact CZ-CB 4.38Å; D385-E388 HydrophobicContact CB-CB 4.32Å; D385-E388 PolarHBondContact O-N 3.27Å; E388-L390 VanDerWaalsContact C-N 3.27Å; E388-L390 PolarHBondContact O-N 2.63Å; E388-V391 VanDerWaalsContact O-CG2 3.25Å; E388-V391 WeakPolarHBondContact O-CG2 3.36Å; E388-V391 PolarHBondContact O-N 3.08Å; E388-V391 VanDerWaalsContact O-N 3.14Å; E388-H392 WeakPolarHBondContact O-CB 3.28Å; E388-H392 PolarHBondContact O-N 3.24Å |
| 389 | D | 71.8 | Confident | 84 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -35.1 | 176.3 | -169.2 | 52.6 | 0 | 0 | 0 | 112.4 | D385 V391 S395 | D385-D389 PolarHBondContact O-N 3.41Å; D389-V391 PolarHBondContact O-N 3.3Å; D389-S395 WeakPolarHBondContact O-CB 3.49Å; D389-S395 PolarHBondContact O-OG 3.44Å; D389-S395 WeakPolarHBondContact OD1-CB 3.48Å |
| 390 | L | 70.8 | Confident | 84.2 | Confident | 86 Ų | 86 | 48.2 Ų | 48.2 | 45% | 0.45 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -10.6 | 177.3 | -78.1 | 170.3 | 0 | 0 | 0 | 114.6 | Y327 I386 E388 | Y327-L390 WeakPolarHBondContact CE2-O 3.43Å; Y327-L390 PolarHBondContact OH-O 3.43Å; I386-L390 HydrophobicContact CG2-CD1 4.26Å; I386-L390 WeakPolarHBondContact O-CD1 3.3Å; I386-L390 WeakPolarHBondContact O-CG 3.33Å; I386-L390 PolarHBondContact O-N 3.1Å; E388-L390 VanDerWaalsContact C-N 3.27Å; E388-L390 PolarHBondContact O-N 2.63Å |
| 391 | V | 78.6 | Confident | 84.4 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.2 | 2.9 | -168.2 | -70.7 | 0 | 0 | 0 | 0 | 113.7 | R324 Y327 L387 E388 D389 | R324-V391 VanDerWaalsContact NH1-CB 3.26Å; Y327-V391 VanDerWaalsContact CB-O 3.29Å; Y327-V391 WeakPolarHBondContact CB-O 3.18Å; L387-V391 VanDerWaalsContact O-CG2 3.25Å; L387-V391 WeakPolarHBondContact O-CG2 3.24Å; E388-V391 VanDerWaalsContact O-CG2 3.25Å; E388-V391 WeakPolarHBondContact O-CG2 3.36Å; E388-V391 PolarHBondContact O-N 3.08Å; E388-V391 VanDerWaalsContact O-N 3.14Å; D389-V391 PolarHBondContact O-N 3.3Å |
| 392 | H | 88.6 | Confident | 84.8 | Confident | 48 Ų | 48 | 44.8 Ų | 44.8 | 22% | 0.222 | 24% | 0.236 | C | C | . | . | trans | -83.4 | 138.4 | -178.1 | -160.8 | -104.3 | 0 | 0 | 0 | 112.4 | Y327 F382 E388 V394 S395 G396 | Y327-H392 VanDerWaalsContact CD2-O 3.31Å; Y327-H392 WeakPolarHBondContact CD2-O 3.38Å; F382-H392 AromaticContact CZ-CD2 3.85Å; E388-H392 WeakPolarHBondContact O-CB 3.28Å; E388-H392 PolarHBondContact O-N 3.24Å; H392-V394 WeakPolarHBondContact CE1-CG2 3.49Å; H392-V394 WeakPolarHBondContact ND1-CB 3.36Å; H392-V394 WeakPolarHBondContact ND1-CG2 3.33Å; H392-V394 PolarHBondContact ND1-N 2.88Å; H392-V394 PolarHBondContact O-N 2.91Å; H392-S395 PolarHBondContact O-N 3.25Å; H392-G396 PolarHBondContact O-N 2.87Å | ||
| 393 | P | 92 | Very high | 85.3 | Confident | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.5 | -34.3 | 178.4 | -27.4 | 35.2 | 0 | 0 | 0 | 114.6 | P323 L326 L330 G396 A397 | P323-P393 HydrophobicContact CB-CG 3.69Å; L326-P393 HydrophobicContact CB-CB 4.44Å; L326-P393 HydrophobicContact CB-CG 4.27Å; L326-P393 HydrophobicContact CD2-CB 3.82Å; L326-P393 HydrophobicContact CD2-CG 4.12Å; L326-P393 HydrophobicContact CG-CB 4.12Å; L326-P393 HydrophobicContact CG-CG 4.44Å; L330-P393 HydrophobicContact CD1-CB 4.3Å; L330-P393 VanDerWaalsContact CD1-O 3.26Å; L330-P393 WeakPolarHBondContact CD1-O 3.24Å; P393-G396 PolarHBondContact O-N 3.28Å; P393-A397 VanDerWaalsContact O-CB 3.29Å; P393-A397 WeakPolarHBondContact O-CB 3.48Å; P393-A397 PolarHBondContact O-N 3.43Å |
| 394 | V | 92.6 | Very high | 85.7 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -49 | 177.8 | 178 | 0 | 0 | 0 | 0 | 110.5 | L361 L362 H392 G396 A397 A398 H437 | L361-V394 WeakPolarHBondContact O-CG2 3.49Å; L362-V394 HydrophobicContact CD2-CG1 4.31Å; H392-V394 WeakPolarHBondContact CE1-CG2 3.49Å; H392-V394 WeakPolarHBondContact ND1-CB 3.36Å; H392-V394 WeakPolarHBondContact ND1-CG2 3.33Å; H392-V394 PolarHBondContact ND1-N 2.88Å; H392-V394 PolarHBondContact O-N 2.91Å; V394-G396 VanDerWaalsContact C-N 3.33Å; V394-G396 PolarHBondContact O-N 2.92Å; V394-A397 WeakPolarHBondContact O-CB 2.99Å; V394-A397 PolarHBondContact O-N 3.36Å; V394-A397 VanDerWaalsContact O-N 3.15Å; V394-A398 VanDerWaalsContact O-CB 3.29Å; V394-A398 WeakPolarHBondContact O-CB 3.44Å; V394-A398 PolarHBondContact O-N 3.37Å; V394-H437 VanDerWaalsContact CG1-CE1 3.47Å; V394-H437 WeakPolarHBondContact CG1-CE1 3.42Å |
| 395 | S | 90.9 | Very high | 86.2 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | D389 H392 A397 A398 S399 | D389-S395 WeakPolarHBondContact O-CB 3.49Å; D389-S395 PolarHBondContact O-OG 3.44Å; D389-S395 WeakPolarHBondContact OD1-CB 3.48Å; H392-S395 PolarHBondContact O-N 3.25Å; S395-A397 PolarHBondContact O-N 2.76Å; S395-A398 PolarHBondContact O-N 3Å; S395-S399 VanDerWaalsContact O-CB 3.23Å; S395-S399 WeakPolarHBondContact O-CB 3.4Å; S395-S399 PolarHBondContact O-N 3.4Å; S395-S399 PolarHBondContact O-OG 3.34Å |
| 396 | G | 93.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H392 P393 V394 F400 | H392-G396 PolarHBondContact O-N 2.87Å; P393-G396 PolarHBondContact O-N 3.28Å; V394-G396 VanDerWaalsContact C-N 3.33Å; V394-G396 PolarHBondContact O-N 2.92Å; G396-F400 WeakPolarHBondContact O-CB 3.24Å; G396-F400 PolarHBondContact O-N 3.01Å |
| 397 | A | 95.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69 | -44.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L330 I358 L361 L362 P393 V394 S395 F400 L401 | L330-A397 HydrophobicContact CD1-CB 4.17Å; L330-A397 HydrophobicContact CD2-CB 4.49Å; I358-A397 HydrophobicContact CD1-CB 4.39Å; I358-A397 HydrophobicContact CG2-CB 4.04Å; L361-A397 HydrophobicContact CB-CB 4.11Å; L361-A397 HydrophobicContact CD1-CB 4.16Å; L362-A397 HydrophobicContact CD2-CB 4.09Å; P393-A397 VanDerWaalsContact O-CB 3.29Å; P393-A397 WeakPolarHBondContact O-CB 3.48Å; P393-A397 PolarHBondContact O-N 3.43Å; V394-A397 WeakPolarHBondContact O-CB 2.99Å; V394-A397 PolarHBondContact O-N 3.36Å; V394-A397 VanDerWaalsContact O-N 3.15Å; S395-A397 PolarHBondContact O-N 2.76Å; A397-F400 PolarHBondContact O-N 3.03Å; A397-L401 PolarHBondContact O-N 3.4Å |
| 398 | A | 93.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 44 Ų | 44 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L362 V394 S395 L401 G402 Q441 | L362-A398 HydrophobicContact CD2-CB 4.29Å; V394-A398 VanDerWaalsContact O-CB 3.29Å; V394-A398 WeakPolarHBondContact O-CB 3.44Å; V394-A398 PolarHBondContact O-N 3.37Å; S395-A398 PolarHBondContact O-N 3Å; A398-L401 PolarHBondContact O-N 3.35Å; A398-G402 PolarHBondContact O-N 3.26Å; A398-Q441 HydrophobicContact CB-CG 4Å; A398-Q441 WeakPolarHBondContact O-CG 3.33Å; A398-Q441 PolarHBondContact O-NE2 3.34Å; A398-Q441 VanDerWaalsContact O-NE2 3.07Å |
| 399 | S | 92.9 | Very high | 88.9 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 175 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | Q334 S395 G402 A403 | Q334-S399 WeakPolarHBondContact CG-O 3.33Å; S395-S399 VanDerWaalsContact O-CB 3.23Å; S395-S399 WeakPolarHBondContact O-CB 3.4Å; S395-S399 PolarHBondContact O-N 3.4Å; S395-S399 PolarHBondContact O-OG 3.34Å; S399-G402 PolarHBondContact O-N 2.99Å; S399-A403 PolarHBondContact O-N 3.07Å |
| 400 | F | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.7 | 176.1 | -98 | 0 | 0 | 0 | 111.9 | L333 Q334 V337 F346 I350 V353 I358 G396 A397 G402 A403 C404 | L333-F400 HydrophobicContact CB-CD2 3.71Å; L333-F400 HydrophobicContact CB-CE2 3.56Å; Q334-F400 HydrophobicContact CB-CB 4.18Å; Q334-F400 HydrophobicContact CB-CD2 4.24Å; V337-F400 HydrophobicContact CG2-CD2 4.19Å; V337-F400 HydrophobicContact CG2-CE2 3.39Å; V337-F400 HydrophobicContact CG2-CZ 3.96Å; F346-F400 HydrophobicContact CD1-CZ 4.45Å; F346-F400 HydrophobicContact CE1-CE2 4.13Å; F346-F400 HydrophobicContact CE1-CZ 4.12Å; F346-F400 HydrophobicContact CZ-CE2 4.45Å; I350-F400 HydrophobicContact CD1-CE1 4.33Å; I350-F400 HydrophobicContact CD1-CZ 3.97Å; V353-F400 HydrophobicContact CG1-CE1 4.02Å; V353-F400 HydrophobicContact CG1-CZ 4.11Å; I358-F400 HydrophobicContact CD1-CB 4.41Å; I358-F400 HydrophobicContact CD1-CD1 3.42Å; I358-F400 VanDerWaalsContact CD1-CD1 3.42Å; I358-F400 HydrophobicContact CD1-CE1 3.94Å; I358-F400 HydrophobicContact CD1-CG 4.12Å; I358-F400 HydrophobicContact CG1-CD1 3.59Å; I358-F400 HydrophobicContact CG1-CE1 3.81Å; G396-F400 WeakPolarHBondContact O-CB 3.24Å; G396-F400 PolarHBondContact O-N 3.01Å; A397-F400 PolarHBondContact O-N 3.03Å; F400-G402 VanDerWaalsContact C-N 3.32Å; F400-G402 PolarHBondContact O-N 3.35Å; F400-A403 PolarHBondContact O-N 3.37Å; F400-C404 VanDerWaalsContact CE1-SG 3.51Å; F400-C404 PolarHBondContact O-N 2.9Å; F400-C404 PolarHBondContact O-SG 3.34Å |
| 401 | L | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 175 | -177 | 64 | 0 | 0 | 0 | 111.3 | I354 L362 A397 A398 A403 C404 I405 I414 M438 Q441 V442 | I354-L401 HydrophobicContact CG2-CD1 4.33Å; L362-L401 HydrophobicContact CD1-CD2 4.11Å; A397-L401 PolarHBondContact O-N 3.4Å; A398-L401 PolarHBondContact O-N 3.35Å; L401-A403 VanDerWaalsContact C-N 3.31Å; L401-A403 PolarHBondContact O-N 3Å; L401-C404 WeakPolarHBondContact O-CB 3.43Å; L401-C404 PolarHBondContact O-N 3.43Å; L401-C404 VanDerWaalsContact O-N 3.13Å; L401-I405 PolarHBondContact O-N 3.49Å; L401-I405 VanDerWaalsContact O-N 3.13Å; L401-I414 HydrophobicContact CD1-CD1 3.84Å; L401-I414 HydrophobicContact CD1-CG1 4.4Å; L401-I414 HydrophobicContact CD1-CG2 4.49Å; L401-M438 HydrophobicContact CD1-CE 4.05Å; L401-M438 HydrophobicContact CD2-CB 4.09Å; L401-M438 HydrophobicContact CD2-CE 4.11Å; L401-M438 HydrophobicContact CD2-CG 3.82Å; L401-Q441 HydrophobicContact CD2-CB 4.27Å; L401-Q441 HydrophobicContact CD2-CG 4.24Å; L401-V442 HydrophobicContact CD2-CG1 4.35Å; L401-V442 HydrophobicContact CG-CG1 4.41Å |
| 402 | G | 92.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A398 S399 F400 I405 | A398-G402 PolarHBondContact O-N 3.26Å; S399-G402 PolarHBondContact O-N 2.99Å; F400-G402 VanDerWaalsContact C-N 3.32Å; F400-G402 PolarHBondContact O-N 3.35Å; G402-I405 WeakPolarHBondContact O-CG1 2.79Å |
| 403 | A | 93 | Very high | 92 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73 | -37 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q334 S399 F400 L401 R406 | Q334-A403 HydrophobicContact CG-CB 3.86Å; S399-A403 PolarHBondContact O-N 3.07Å; F400-A403 PolarHBondContact O-N 3.37Å; L401-A403 VanDerWaalsContact C-N 3.31Å; L401-A403 PolarHBondContact O-N 3Å; A403-R406 WeakPolarHBondContact O-CB 3.27Å; A403-R406 PolarHBondContact O-N 2.94Å |
| 404 | C | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 178.4 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | F400 L401 R406 H407 L410 | F400-C404 VanDerWaalsContact CE1-SG 3.51Å; F400-C404 PolarHBondContact O-N 2.9Å; F400-C404 PolarHBondContact O-SG 3.34Å; L401-C404 WeakPolarHBondContact O-CB 3.43Å; L401-C404 PolarHBondContact O-N 3.43Å; L401-C404 VanDerWaalsContact O-N 3.13Å; C404-R406 PolarHBondContact O-N 3.15Å; C404-H407 WeakPolarHBondContact O-CB 3.11Å; C404-H407 PolarHBondContact O-N 3.4Å; C404-L410 HydrophobicContact CB-CD1 4.03Å; C404-L410 WeakPolarHBondContact O-CD1 3.26Å |
| 405 | I | 91.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.6 | -177.2 | 57.5 | -177.9 | 0 | 0 | 0 | 114.5 | L401 G402 H407 L411 I414 V442 F445 | L401-I405 PolarHBondContact O-N 3.49Å; L401-I405 VanDerWaalsContact O-N 3.13Å; G402-I405 WeakPolarHBondContact O-CG1 2.79Å; I405-H407 PolarHBondContact O-N 3.48Å; I405-L411 HydrophobicContact CB-CD1 4.47Å; I405-L411 HydrophobicContact CG2-CD1 4.15Å; I405-I414 HydrophobicContact CG2-CD1 3.5Å; I405-I414 VanDerWaalsContact CG2-CD1 3.5Å; I405-V442 HydrophobicContact CD1-CB 4.05Å; I405-V442 HydrophobicContact CD1-CG1 3.92Å; I405-V442 HydrophobicContact CG2-CG1 3.8Å; I405-F445 HydrophobicContact CD1-CB 4.4Å; I405-F445 HydrophobicContact CD1-CD2 3.13Å; I405-F445 HydrophobicContact CD1-CE2 3.44Å; I405-F445 VanDerWaalsContact CD1-CE2 3.44Å; I405-F445 HydrophobicContact CD1-CG 3.88Å; I405-F445 HydrophobicContact CD1-CZ 4.4Å; I405-F445 HydrophobicContact CG1-CD2 3.69Å; I405-F445 HydrophobicContact CG1-CE2 3.65Å; I405-F445 HydrophobicContact CG1-CG 4.22Å; I405-F445 HydrophobicContact CG1-CZ 4.15Å |
| 406 | R | 87.9 | Confident | 92.4 | Very high | 191 Ų | 191 | 47.1 Ų | 47.1 | 72% | 0.721 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.6 | 169.8 | -63.3 | -178.2 | -178.4 | -160.5 | 1.2 | 111.9 | A403 C404 R408 F445 | A403-R406 WeakPolarHBondContact O-CB 3.27Å; A403-R406 PolarHBondContact O-N 2.94Å; C404-R406 PolarHBondContact O-N 3.15Å; R406-R408 PolarHBondContact O-N 3.39Å; R406-F445 HydrophobicContact CG-CE1 4.34Å; R406-F445 HydrophobicContact CG-CZ 3.79Å |
| 407 | H | 88 | Confident | 92.4 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -74.5 | 111.3 | 170.8 | -72.9 | -84.2 | 0 | 0 | 0 | 110.6 | V337 W343 C404 I405 K409 L410 | V337-H407 PolarHBondContact O-NE2 2.88Å; W343-H407 AromaticContact CD2-CE1 3.71Å; W343-H407 AromaticContact CD2-NE2 3.92Å; W343-H407 AromaticContact CE2-CE1 3.91Å; W343-H407 AromaticContact CE3-CE1 3.82Å; W343-H407 AromaticContact CE3-NE2 3.53Å; W343-H407 AromaticContact CZ3-CD2 3.83Å; W343-H407 AromaticContact CZ3-NE2 3.7Å; C404-H407 WeakPolarHBondContact O-CB 3.11Å; C404-H407 PolarHBondContact O-N 3.4Å; I405-H407 PolarHBondContact O-N 3.48Å; H407-K409 PolarHBondContact O-N 3.39Å; H407-L410 HydrophobicContact CB-CB 4.49Å; H407-L410 HydrophobicContact CB-CD1 3.84Å; H407-L410 HydrophobicContact CB-CG 3.9Å; H407-L410 PolarHBondContact O-N 2.9Å |
| 408 | R | 81.8 | Confident | 92.4 | Very high | 227 Ų | 227 | 48.4 Ų | 48.4 | 86% | 0.857 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -29 | -172.8 | -63.9 | -175.7 | -179.9 | -172.5 | -0.2 | 115.2 | R406 | R406-R408 PolarHBondContact O-N 3.39Š|
| 409 | K | 88.4 | Confident | 92.5 | Very high | 175 Ų | 175 | 51.9 Ų | 51.9 | 76% | 0.761 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -12 | -177.8 | -64.4 | -176.2 | 179.4 | -179.7 | 0 | 114.8 | H407 | H407-K409 PolarHBondContact O-N 3.39Š|
| 410 | L | 92.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -35.2 | -174.5 | -63.5 | -175.6 | 0 | 0 | 0 | 113.1 | W343 I350 C404 H407 K413 I414 | W343-L410 HydrophobicContact CH2-CD1 3.79Å; I350-L410 HydrophobicContact CG1-CD1 4.05Å; I350-L410 HydrophobicContact CG2-CD2 3.84Å; C404-L410 HydrophobicContact CB-CD1 4.03Å; C404-L410 WeakPolarHBondContact O-CD1 3.26Å; H407-L410 HydrophobicContact CB-CB 4.49Å; H407-L410 HydrophobicContact CB-CD1 3.84Å; H407-L410 HydrophobicContact CB-CG 3.9Å; H407-L410 PolarHBondContact O-N 2.9Å; L410-K413 HydrophobicContact CD2-CD 4.43Å; L410-K413 WeakPolarHBondContact O-CA 3.43Å; L410-K413 WeakPolarHBondContact O-CB 3.31Å; L410-K413 PolarHBondContact O-N 3.06Å; L410-I414 HydrophobicContact CB-CD1 4.19Å; L410-I414 PolarHBondContact O-N 3.27Å |
| 411 | L | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.2 | -46.6 | -179.5 | -177.7 | 66.6 | 0 | 0 | 0 | 113.2 | I405 K413 I414 V415 F445 L446 K449 Y452 | I405-L411 HydrophobicContact CB-CD1 4.47Å; I405-L411 HydrophobicContact CG2-CD1 4.15Å; L411-K413 VanDerWaalsContact C-N 3.29Å; L411-K413 PolarHBondContact O-N 3.32Å; L411-I414 PolarHBondContact O-N 3.44Å; L411-V415 HydrophobicContact CD1-CG2 4.34Å; L411-V415 WeakPolarHBondContact O-CB 3.45Å; L411-V415 VanDerWaalsContact O-CG2 3.32Å; L411-V415 WeakPolarHBondContact O-CG2 3.44Å; L411-V415 PolarHBondContact O-N 2.61Å; L411-F445 HydrophobicContact CD2-CB 4.26Å; L411-L446 HydrophobicContact CD1-CD2 3.9Å; L411-L446 HydrophobicContact CD1-CG 4.46Å; L411-L446 HydrophobicContact CD2-CD2 4.12Å; L411-L446 HydrophobicContact CG-CD2 4.22Å; L411-K449 HydrophobicContact CD2-CD 3.88Å; L411-Y452 HydrophobicContact CD2-CD2 4.46Å; L411-Y452 HydrophobicContact CD2-CE2 3.75Å; L411-Y452 HydrophobicContact CG-CE2 4.34Å |
| 412 | P | 94 | Very high | 92.5 | Very high | 66 Ų | 66 | 57 Ų | 57 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -34.3 | 176.2 | -20 | 31.6 | 0 | 0 | 0 | 113.5 | S416 | P412-S416 WeakPolarHBondContact O-CB 3.24Å; P412-S416 PolarHBondContact O-N 3.02Å |
| 413 | K | 94.7 | Very high | 92.5 | Very high | 104 Ų | 104 | 61.2 Ų | 61.2 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.8 | -41.2 | 178.1 | -61.4 | -175.8 | 178.2 | -172.3 | 0 | 111.3 | M351 L410 L411 S416 V417 | M351-K413 HydrophobicContact CE-CB 3.84Å; M351-K413 HydrophobicContact CG-CD 4Å; M351-K413 HydrophobicContact SD-CB 3.62Å; M351-K413 HydrophobicContact SD-CD 3.68Å; M351-K413 HydrophobicContact SD-CG 4.33Å; L410-K413 HydrophobicContact CD2-CD 4.43Å; L410-K413 WeakPolarHBondContact O-CA 3.43Å; L410-K413 WeakPolarHBondContact O-CB 3.31Å; L410-K413 PolarHBondContact O-N 3.06Å; L411-K413 VanDerWaalsContact C-N 3.29Å; L411-K413 PolarHBondContact O-N 3.32Å; K413-S416 WeakPolarHBondContact O-CB 3.28Å; K413-S416 PolarHBondContact O-N 3.16Å; K413-V417 WeakPolarHBondContact O-CG2 3.43Å; K413-V417 PolarHBondContact O-N 3.09Å |
| 414 | I | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.6 | -71.9 | 163.1 | 0 | 0 | 0 | 110.3 | I354 L401 I405 L410 L411 S416 V417 I418 M438 V442 | I354-I414 HydrophobicContact CD1-CD1 4.06Å; I354-I414 HydrophobicContact CD1-CG1 4.13Å; L401-I414 HydrophobicContact CD1-CD1 3.84Å; L401-I414 HydrophobicContact CD1-CG1 4.4Å; L401-I414 HydrophobicContact CD1-CG2 4.49Å; I405-I414 HydrophobicContact CG2-CD1 3.5Å; I405-I414 VanDerWaalsContact CG2-CD1 3.5Å; L410-I414 HydrophobicContact CB-CD1 4.19Å; L410-I414 PolarHBondContact O-N 3.27Å; L411-I414 PolarHBondContact O-N 3.44Å; I414-S416 VanDerWaalsContact C-N 3.28Å; I414-S416 PolarHBondContact O-N 3.13Å; I414-V417 WeakPolarHBondContact O-CB 3.32Å; I414-V417 PolarHBondContact O-N 3.46Å; I414-V417 VanDerWaalsContact O-N 3.09Å; I414-I418 HydrophobicContact CG2-CD1 3.92Å; I414-I418 WeakPolarHBondContact O-CG1 3.3Å; I414-I418 PolarHBondContact O-N 2.82Å; I414-M438 HydrophobicContact CG2-CE 3.76Å; I414-V442 HydrophobicContact CG2-CG1 4.35Å |
| 415 | V | 94.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 172.7 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | L411 V417 I418 E419 L446 Y452 F455 | L411-V415 HydrophobicContact CD1-CG2 4.34Å; L411-V415 WeakPolarHBondContact O-CB 3.45Å; L411-V415 VanDerWaalsContact O-CG2 3.32Å; L411-V415 WeakPolarHBondContact O-CG2 3.44Å; L411-V415 PolarHBondContact O-N 2.61Å; V415-V417 VanDerWaalsContact C-N 3.31Å; V415-V417 PolarHBondContact O-N 3.44Å; V415-I418 PolarHBondContact O-N 3.22Å; V415-E419 HydrophobicContact CG1-CG 4.39Å; V415-E419 WeakPolarHBondContact O-CB 3.37Å; V415-E419 WeakPolarHBondContact O-CG 3.04Å; V415-E419 PolarHBondContact O-N 2.66Å; V415-L446 HydrophobicContact CG2-CD2 3.96Å; V415-Y452 HydrophobicContact CB-CE1 4.42Å; V415-Y452 HydrophobicContact CG1-CE1 4.26Å; V415-Y452 HydrophobicContact CG2-CD1 4.42Å; V415-Y452 HydrophobicContact CG2-CE1 3.94Å; V415-F455 HydrophobicContact CG1-CD1 4.27Å; V415-F455 HydrophobicContact CG1-CD2 4.35Å; V415-F455 HydrophobicContact CG1-CE1 3.8Å; V415-F455 HydrophobicContact CG1-CE2 3.92Å; V415-F455 HydrophobicContact CG1-CZ 3.61Å; V415-F455 HydrophobicContact CG2-CE1 4.22Å |
| 416 | S | 94.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 81.2 Ų | 81.2 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 176.2 | -180 | 0 | 0 | 0 | 0 | 113.5 | P412 K413 I414 H420 | P412-S416 WeakPolarHBondContact O-CB 3.24Å; P412-S416 PolarHBondContact O-N 3.02Å; K413-S416 WeakPolarHBondContact O-CB 3.28Å; K413-S416 PolarHBondContact O-N 3.16Å; I414-S416 VanDerWaalsContact C-N 3.28Å; I414-S416 PolarHBondContact O-N 3.13Å; S416-H420 VanDerWaalsContact O-CB 3.29Å; S416-H420 WeakPolarHBondContact O-CB 2.85Å; S416-H420 PolarHBondContact O-N 3.23Å |
| 417 | V | 94.6 | Very high | 92.3 | Very high | 28 Ų | 28 | 73 Ų | 73 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.4 | -47.3 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | M351 T355 K413 I414 V415 E419 H420 V421 | M351-V417 HydrophobicContact CE-CG2 3.75Å; T355-V417 HydrophobicContact CG2-CG1 4.25Å; T355-V417 HydrophobicContact CG2-CG2 4.14Å; K413-V417 WeakPolarHBondContact O-CG2 3.43Å; K413-V417 PolarHBondContact O-N 3.09Å; I414-V417 WeakPolarHBondContact O-CB 3.32Å; I414-V417 PolarHBondContact O-N 3.46Å; I414-V417 VanDerWaalsContact O-N 3.09Å; V415-V417 VanDerWaalsContact C-N 3.31Å; V415-V417 PolarHBondContact O-N 3.44Å; V417-E419 PolarHBondContact O-N 2.86Å; V417-H420 PolarHBondContact O-N 3.25Å; V417-V421 WeakPolarHBondContact O-CG2 3.46Å; V417-V421 PolarHBondContact O-N 3.14Å; V417-V421 VanDerWaalsContact O-N 3.09Å |
| 418 | I | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 177.2 | -66 | 163 | 0 | 0 | 0 | 110.1 | I414 V415 H420 V421 L422 M438 F439 | I414-I418 HydrophobicContact CG2-CD1 3.92Å; I414-I418 WeakPolarHBondContact O-CG1 3.3Å; I414-I418 PolarHBondContact O-N 2.82Å; V415-I418 PolarHBondContact O-N 3.22Å; I418-H420 VanDerWaalsContact C-N 3.31Å; I418-H420 PolarHBondContact O-N 2.8Å; I418-V421 PolarHBondContact O-N 3.47Å; I418-L422 HydrophobicContact CG2-CD1 3.67Å; I418-L422 HydrophobicContact CG2-CG 4.28Å; I418-L422 WeakPolarHBondContact O-CB 3.39Å; I418-L422 VanDerWaalsContact O-CG 3.28Å; I418-L422 WeakPolarHBondContact O-CG 3.47Å; I418-L422 PolarHBondContact O-N 3.35Å; I418-M438 HydrophobicContact CD1-CB 4.09Å; I418-M438 HydrophobicContact CG1-CB 4.03Å; I418-F439 HydrophobicContact CD1-CB 4.31Å; I418-F439 HydrophobicContact CG2-CB 4.07Å; I418-F439 HydrophobicContact CG2-CD2 4.42Å |
| 419 | E | 94.4 | Very high | 93.2 | Very high | 80 Ų | 80 | 67.2 Ų | 67.2 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 177.6 | -77.5 | -176.5 | 127.4 | 0 | 0 | 112.7 | V415 V417 N423 F455 | V415-E419 HydrophobicContact CG1-CG 4.39Å; V415-E419 WeakPolarHBondContact O-CB 3.37Å; V415-E419 WeakPolarHBondContact O-CG 3.04Å; V415-E419 PolarHBondContact O-N 2.66Å; V417-E419 PolarHBondContact O-N 2.86Å; E419-N423 VanDerWaalsContact O-CB 3.25Å; E419-N423 WeakPolarHBondContact O-CB 3.38Å; E419-N423 VanDerWaalsContact O-CG 3.27Å; E419-N423 PolarHBondContact O-N 3.22Å; E419-N423 VanDerWaalsContact O-N 3.08Å; E419-N423 PolarHBondContact O-ND2 3.01Å; E419-F455 HydrophobicContact CG-CD2 4.28Å; E419-F455 HydrophobicContact CG-CE2 3.37Å; E419-F455 HydrophobicContact CG-CZ 4.05Å; E419-F455 WeakPolarHBondContact OE1-CD2 2.87Å; E419-F455 VanDerWaalsContact OE1-CE2 3.31Å; E419-F455 WeakPolarHBondContact OE1-CE2 3.41Å |
| 420 | H | 94.8 | Very high | 93.5 | Very high | 127 Ų | 127 | 62.5 Ų | 62.5 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.5 | -50.4 | 179.7 | -178.3 | 57.9 | 0 | 0 | 0 | 111.2 | S416 V417 I418 N423 E424 | S416-H420 VanDerWaalsContact O-CB 3.29Å; S416-H420 WeakPolarHBondContact O-CB 2.85Å; S416-H420 PolarHBondContact O-N 3.23Å; V417-H420 PolarHBondContact O-N 3.25Å; I418-H420 VanDerWaalsContact C-N 3.31Å; I418-H420 PolarHBondContact O-N 2.8Å; H420-N423 PolarHBondContact O-N 3.31Å; H420-E424 PolarHBondContact O-N 2.93Å; H420-E424 VanDerWaalsContact O-N 3.16Å |
| 421 | V | 95 | Very high | 93.7 | Very high | 16 Ų | 16 | 65.7 Ų | 65.7 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | -179.1 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | F359 V417 I418 N423 E424 H431 A435 | F359-V421 HydrophobicContact CZ-CG1 4.31Å; F359-V421 HydrophobicContact CZ-CG2 4.22Å; V417-V421 WeakPolarHBondContact O-CG2 3.46Å; V417-V421 PolarHBondContact O-N 3.14Å; V417-V421 VanDerWaalsContact O-N 3.09Å; I418-V421 PolarHBondContact O-N 3.47Å; V421-N423 VanDerWaalsContact C-N 3.3Å; V421-N423 PolarHBondContact O-N 3.15Å; V421-E424 PolarHBondContact O-N 3.35Å; V421-H431 HydrophobicContact CG1-CB 4.05Å; V421-H431 WeakPolarHBondContact CG1-O 3.48Å; V421-A435 HydrophobicContact CB-CB 3.88Å; V421-A435 HydrophobicContact CG1-CB 3.73Å |
| 422 | L | 94.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.2 | -26.7 | -178.3 | -66.6 | -179.7 | 0 | 0 | 0 | 113.6 | I418 I432 A435 L436 V459 Q463 | I418-L422 HydrophobicContact CG2-CD1 3.67Å; I418-L422 HydrophobicContact CG2-CG 4.28Å; I418-L422 WeakPolarHBondContact O-CB 3.39Å; I418-L422 VanDerWaalsContact O-CG 3.28Å; I418-L422 WeakPolarHBondContact O-CG 3.47Å; I418-L422 PolarHBondContact O-N 3.35Å; L422-I432 HydrophobicContact CD2-CG2 4.14Å; L422-A435 HydrophobicContact CD2-CB 3.9Å; L422-A435 HydrophobicContact CG-CB 4.09Å; L422-L436 HydrophobicContact CD1-CD2 4.24Å; L422-L436 HydrophobicContact CD2-CD2 3.97Å; L422-L436 HydrophobicContact CD2-CG 4.08Å; L422-V459 HydrophobicContact CD1-CG1 4.09Å; L422-Q463 HydrophobicContact CB-CG 4.24Å; L422-Q463 HydrophobicContact CD1-CB 4.29Å; L422-Q463 HydrophobicContact CD1-CG 4.25Å; L422-Q463 PolarHBondContact O-NE2 2.95Å; L422-Q463 PolarHBondContact O-OE1 3.41Å |
| 423 | N | 92.4 | Very high | 94.1 | Very high | 107 Ų | 107 | 63.4 Ų | 63.4 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -90.6 | -10.3 | 177.6 | -69.7 | -48.5 | 0 | 0 | 0 | 113.3 | E419 H420 V421 R425 | E419-N423 VanDerWaalsContact O-CB 3.25Å; E419-N423 WeakPolarHBondContact O-CB 3.38Å; E419-N423 VanDerWaalsContact O-CG 3.27Å; E419-N423 PolarHBondContact O-N 3.22Å; E419-N423 VanDerWaalsContact O-N 3.08Å; E419-N423 PolarHBondContact O-ND2 3.01Å; H420-N423 PolarHBondContact O-N 3.31Å; V421-N423 VanDerWaalsContact C-N 3.3Å; V421-N423 PolarHBondContact O-N 3.15Å; N423-R425 PolarHBondContact O-N 3.32Å |
| 424 | E | 93 | Very high | 94.2 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | trans | -74.2 | 116.8 | 179.1 | -174.5 | 178.4 | 171.6 | 0 | 0 | 110.9 | H420 V421 S426 A427 | H420-E424 PolarHBondContact O-N 2.93Å; H420-E424 VanDerWaalsContact O-N 3.16Å; V421-E424 PolarHBondContact O-N 3.35Å; E424-S426 WeakPolarHBondContact CG-OG 3.38Å; E424-S426 PolarHBondContact O-N 3.35Å; E424-S426 PolarHBondContact OE1-OG 3.41Å; E424-A427 HydrophobicContact CB-CB 4.19Å; E424-A427 WeakPolarHBondContact O-CB 3.35Å; E424-A427 PolarHBondContact O-N 2.95Å | ||
| 425 | R | 86.1 | Confident | 94.3 | Very high | 257 Ų | 257 | 58.5 Ų | 58.5 | 97% | 0.97 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.6 | -177.6 | -66.2 | -176.6 | 179.8 | -177.9 | -0.5 | 114 | N423 | N423-R425 PolarHBondContact O-N 3.32Š|
| 426 | S | 89.3 | Confident | 94.4 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 64% | 0.643 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 4.2 | -179.7 | 39.8 | 0 | 0 | 0 | 0 | 113.5 | E424 E428 | E424-S426 WeakPolarHBondContact CG-OG 3.38Å; E424-S426 PolarHBondContact O-N 3.35Å; E424-S426 PolarHBondContact OE1-OG 3.41Å; S426-E428 PolarHBondContact O-N 3.17Å |
| 427 | A | 91.7 | Very high | 94.5 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | trans | -60.3 | 130.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E424 I432 | E424-A427 HydrophobicContact CB-CB 4.19Å; E424-A427 WeakPolarHBondContact O-CB 3.35Å; E424-A427 PolarHBondContact O-N 2.95Å; A427-I432 HydrophobicContact CB-CD1 4.24Å; A427-I432 HydrophobicContact CB-CG1 3.85Å | ||
| 428 | E | 94 | Very high | 94.6 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | trans | -64.7 | 146.1 | 173 | -60.1 | -177.7 | 157.1 | 0 | 0 | 110.1 | S426 Q430 H431 I432 | S426-E428 PolarHBondContact O-N 3.17Å; E428-Q430 PolarHBondContact O-N 2.82Å; E428-Q430 VanDerWaalsContact O-N 3.13Å; E428-H431 WeakPolarHBondContact O-CB 3.38Å; E428-H431 PolarHBondContact O-N 3.44Å; E428-H431 IonicContact OE2-CE1 3.29Å; E428-H431 PolarHBondContact OE2-CE1 2.8Å; E428-H431 VanDerWaalsContact OE2-CE1 3.29Å; E428-H431 IonicContact OE2-ND1 3.63Å; E428-I432 PolarHBondContact O-N 2.72Å; E428-I432 VanDerWaalsContact O-N 3.12Å | ||
| 429 | P | 95.6 | Very high | 94.7 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -51.8 | -37.2 | 179.9 | -30.1 | 37.7 | 0 | 0 | 0 | 114.1 | H431 I432 D433 V472 F474 L475 | P429-H431 PolarHBondContact O-N 2.67Å; P429-I432 WeakPolarHBondContact O-CB 3.39Å; P429-I432 PolarHBondContact O-N 2.73Å; P429-D433 PolarHBondContact O-N 2.8Å; P429-V472 HydrophobicContact CB-CG1 4.16Å; P429-V472 HydrophobicContact CB-CG2 4.18Å; P429-V472 HydrophobicContact CG-CG2 4.1Å; P429-F474 HydrophobicContact CB-CE2 4.14Å; P429-F474 HydrophobicContact CB-CZ 3.68Å; P429-L475 HydrophobicContact CB-CD1 4.16Å; P429-L475 WeakPolarHBondContact O-CD2 3.41Å |
| 430 | Q | 95.5 | Very high | 94.7 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 36% | 0.36 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.2 | -64.8 | 82.7 | -8.9 | 0 | 0 | 112.1 | C363 H364 E428 I432 D433 G434 F474 | C363-Q430 HydrophobicContact CB-CB 4.39Å; C363-Q430 WeakPolarHBondContact CB-O 3.49Å; C363-Q430 PolarHBondContact SG-O 3.46Å; C363-Q430 VanDerWaalsContact SG-O 3.36Å; H364-Q430 WeakPolarHBondContact O-CG 3.41Å; E428-Q430 PolarHBondContact O-N 2.82Å; E428-Q430 VanDerWaalsContact O-N 3.13Å; Q430-I432 VanDerWaalsContact C-N 3.35Å; Q430-D433 WeakPolarHBondContact O-CB 3.36Å; Q430-D433 PolarHBondContact O-N 3.48Å; Q430-G434 PolarHBondContact O-N 3.31Å; Q430-F474 HydrophobicContact CG-CZ 4.39Å |
| 431 | H | 96.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 47 Ų | 47 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69 | -35.5 | 176.2 | -63.7 | 132 | 0 | 0 | 0 | 111.8 | F359 V421 E428 P429 D433 G434 A435 | F359-H431 HydrophobicContact CE1-CB 4.34Å; F359-H431 AromaticContact CE1-CD2 3.63Å; F359-H431 HydrophobicContact CZ-CB 4.16Å; F359-H431 WeakPolarHBondContact CZ-O 3.29Å; V421-H431 HydrophobicContact CG1-CB 4.05Å; V421-H431 WeakPolarHBondContact CG1-O 3.48Å; E428-H431 WeakPolarHBondContact O-CB 3.38Å; E428-H431 PolarHBondContact O-N 3.44Å; E428-H431 IonicContact OE2-CE1 3.29Å; E428-H431 PolarHBondContact OE2-CE1 2.8Å; E428-H431 VanDerWaalsContact OE2-CE1 3.29Å; E428-H431 IonicContact OE2-ND1 3.63Å; P429-H431 PolarHBondContact O-N 2.67Å; H431-D433 VanDerWaalsContact C-N 3.35Å; H431-G434 PolarHBondContact O-N 2.84Å; H431-A435 WeakPolarHBondContact O-CB 3.49Å; H431-A435 PolarHBondContact O-N 2.93Å |
| 432 | I | 96.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.1 | -60.9 | 173.6 | 0 | 0 | 0 | 109.9 | L422 A427 E428 P429 Q430 A435 L436 L475 | L422-I432 HydrophobicContact CD2-CG2 4.14Å; A427-I432 HydrophobicContact CB-CD1 4.24Å; A427-I432 HydrophobicContact CB-CG1 3.85Å; E428-I432 PolarHBondContact O-N 2.72Å; E428-I432 VanDerWaalsContact O-N 3.12Å; P429-I432 WeakPolarHBondContact O-CB 3.39Å; P429-I432 PolarHBondContact O-N 2.73Å; Q430-I432 VanDerWaalsContact C-N 3.35Å; I432-A435 PolarHBondContact O-N 3.33Å; I432-L436 HydrophobicContact CG2-CD1 4.31Å; I432-L436 WeakPolarHBondContact O-CG 3.18Å; I432-L436 PolarHBondContact O-N 2.82Å; I432-L475 HydrophobicContact CB-CD2 4.16Å; I432-L475 HydrophobicContact CG2-CD1 4.39Å; I432-L475 HydrophobicContact CG2-CD2 3.97Å |
| 433 | D | 97 | Very high | 94.6 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -51.7 | 174.4 | 177.7 | 70.7 | 0 | 0 | 0 | 111.6 | H364 P429 Q430 H431 A435 L436 H437 F474 L475 R478 | H364-D433 HydrophobicContact CB-CB 4.34Å; H364-D433 PolarHBondContact N-OD2 3.19Å; P429-D433 PolarHBondContact O-N 2.8Å; Q430-D433 WeakPolarHBondContact O-CB 3.36Å; Q430-D433 PolarHBondContact O-N 3.48Å; H431-D433 VanDerWaalsContact C-N 3.35Å; D433-A435 VanDerWaalsContact C-N 3.28Å; D433-A435 PolarHBondContact O-N 3.37Å; D433-L436 PolarHBondContact O-N 3.23Å; D433-L436 VanDerWaalsContact O-N 3.16Å; D433-H437 WeakPolarHBondContact O-CB 3.22Å; D433-H437 PolarHBondContact O-N 3.33Å; D433-F474 HydrophobicContact CB-CD2 4.01Å; D433-F474 HydrophobicContact CB-CE2 3.88Å; D433-L475 HydrophobicContact CB-CD2 3.91Å; D433-R478 WeakPolarHBondContact OD1-CB 3.34Å; D433-R478 WeakPolarHBondContact OD1-CG 3.26Å; D433-R478 IonicContact OD1-CZ 3.53Å; D433-R478 IonicContact OD1-NE 3.64Å; D433-R478 PolarHBondContact OD1-NE 3.31Å; D433-R478 IonicContact OD1-NH2 3.57Å; D433-R478 IonicContact OD2-NE 2.73Å; D433-R478 IonicContact OD2-NH2 3.53Å; D433-R478 PolarHBondContact OD2-NH2 3.37Å |
| 434 | G | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -36.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F359 Q430 H431 H437 M438 | F359-G434 VanDerWaalsContact CE2-C 3.47Å; Q430-G434 PolarHBondContact O-N 3.31Å; H431-G434 PolarHBondContact O-N 2.84Å; G434-H437 WeakPolarHBondContact O-CB 3.34Å; G434-H437 PolarHBondContact O-N 3.14Å; G434-M438 WeakPolarHBondContact O-CG 3.44Å; G434-M438 PolarHBondContact O-N 2.73Å |
| 435 | A | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -39.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | F359 V421 L422 H431 I432 D433 F439 | F359-A435 HydrophobicContact CE2-CB 4.29Å; V421-A435 HydrophobicContact CB-CB 3.88Å; V421-A435 HydrophobicContact CG1-CB 3.73Å; L422-A435 HydrophobicContact CD2-CB 3.9Å; L422-A435 HydrophobicContact CG-CB 4.09Å; H431-A435 WeakPolarHBondContact O-CB 3.49Å; H431-A435 PolarHBondContact O-N 2.93Å; I432-A435 PolarHBondContact O-N 3.33Å; D433-A435 VanDerWaalsContact C-N 3.28Å; D433-A435 PolarHBondContact O-N 3.37Å; A435-F439 WeakPolarHBondContact O-CB 3.25Å; A435-F439 PolarHBondContact O-N 2.77Å |
| 436 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.7 | -36.8 | 172.9 | -71.8 | -179.1 | 0 | 0 | 0 | 111.7 | L422 I432 D433 F439 G440 V464 R478 C482 | L422-L436 HydrophobicContact CD1-CD2 4.24Å; L422-L436 HydrophobicContact CD2-CD2 3.97Å; L422-L436 HydrophobicContact CD2-CG 4.08Å; I432-L436 HydrophobicContact CG2-CD1 4.31Å; I432-L436 WeakPolarHBondContact O-CG 3.18Å; I432-L436 PolarHBondContact O-N 2.82Å; D433-L436 PolarHBondContact O-N 3.23Å; D433-L436 VanDerWaalsContact O-N 3.16Å; L436-F439 WeakPolarHBondContact O-CB 3.38Å; L436-F439 PolarHBondContact O-N 2.7Å; L436-G440 PolarHBondContact O-N 3.17Å; L436-V464 HydrophobicContact CD2-CG2 4.03Å; L436-R478 HydrophobicContact CB-CG 3.58Å; L436-R478 HydrophobicContact CD1-CG 4.08Å; L436-C482 PolarHBondContact O-SG 3.41Å |
| 437 | H | 96.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 174.2 | -164.1 | 167.5 | 0 | 0 | 0 | 111.1 | L362 V394 D433 G434 F439 G440 Q441 W481 | L362-H437 HydrophobicContact CB-CB 4.27Å; L362-H437 PolarHBondContact O-ND1 3.48Å; V394-H437 VanDerWaalsContact CG1-CE1 3.47Å; V394-H437 WeakPolarHBondContact CG1-CE1 3.42Å; D433-H437 WeakPolarHBondContact O-CB 3.22Å; D433-H437 PolarHBondContact O-N 3.33Å; G434-H437 WeakPolarHBondContact O-CB 3.34Å; G434-H437 PolarHBondContact O-N 3.14Å; H437-F439 VanDerWaalsContact C-N 3.27Å; H437-F439 PolarHBondContact O-N 3.39Å; H437-G440 PolarHBondContact O-N 2.89Å; H437-Q441 WeakPolarHBondContact O-CB 3.38Å; H437-Q441 PolarHBondContact O-N 2.91Å; H437-W481 AromaticContact CD2-CH2 3.56Å; H437-W481 AromaticContact CD2-CZ3 3.96Å |
| 438 | M | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.5 | -42.4 | 172.1 | -74.6 | -174 | 65.5 | 0 | 0 | 112 | I354 F359 L362 L401 I414 I418 G434 Q441 V442 | I354-M438 HydrophobicContact CG2-CE 3.84Å; F359-M438 HydrophobicContact CB-SD 4.41Å; F359-M438 HydrophobicContact CD2-CG 4.3Å; F359-M438 HydrophobicContact CD2-SD 3.47Å; F359-M438 WeakPolarHBondContact CD2-SD 3.44Å; F359-M438 HydrophobicContact CE2-SD 4.14Å; F359-M438 HydrophobicContact CG-SD 4.37Å; L362-M438 HydrophobicContact CD1-CG 3.49Å; L362-M438 VanDerWaalsContact CD1-CG 3.49Å; L401-M438 HydrophobicContact CD1-CE 4.05Å; L401-M438 HydrophobicContact CD2-CB 4.09Å; L401-M438 HydrophobicContact CD2-CE 4.11Å; L401-M438 HydrophobicContact CD2-CG 3.82Å; I414-M438 HydrophobicContact CG2-CE 3.76Å; I418-M438 HydrophobicContact CD1-CB 4.09Å; I418-M438 HydrophobicContact CG1-CB 4.03Å; G434-M438 WeakPolarHBondContact O-CG 3.44Å; G434-M438 PolarHBondContact O-N 2.73Å; M438-Q441 PolarHBondContact O-N 3.28Å; M438-V442 WeakPolarHBondContact O-CG1 3.32Å; M438-V442 WeakPolarHBondContact O-CG2 3.49Å; M438-V442 PolarHBondContact O-N 3.04Å |
| 439 | F | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 178.1 | 177.5 | -110.2 | 0 | 0 | 0 | 112.3 | I418 A435 L436 H437 V442 L446 F455 L456 V459 I460 V464 Y486 | I418-F439 HydrophobicContact CD1-CB 4.31Å; I418-F439 HydrophobicContact CG2-CB 4.07Å; I418-F439 HydrophobicContact CG2-CD2 4.42Å; A435-F439 WeakPolarHBondContact O-CB 3.25Å; A435-F439 PolarHBondContact O-N 2.77Å; L436-F439 WeakPolarHBondContact O-CB 3.38Å; L436-F439 PolarHBondContact O-N 2.7Å; H437-F439 VanDerWaalsContact C-N 3.27Å; H437-F439 PolarHBondContact O-N 3.39Å; F439-V442 WeakPolarHBondContact O-CG2 3.37Å; F439-L446 HydrophobicContact CD2-CD1 4.26Å; F439-L446 HydrophobicContact CE2-CD1 4.06Å; F439-F455 HydrophobicContact CD2-CE1 4.37Å; F439-F455 AromaticContact CE2-CE1 3.91Å; F439-F455 HydrophobicContact CE2-CE1 3.91Å; F439-F455 HydrophobicContact CE2-CZ 4.32Å; F439-L456 HydrophobicContact CE2-CD2 3.71Å; F439-L456 HydrophobicContact CZ-CD2 3.71Å; F439-V459 HydrophobicContact CD1-CG1 4.14Å; F439-V459 HydrophobicContact CD2-CG1 4.18Å; F439-V459 HydrophobicContact CE1-CG1 3.79Å; F439-V459 HydrophobicContact CE2-CB 4.14Å; F439-V459 HydrophobicContact CE2-CG1 3.82Å; F439-V459 HydrophobicContact CG-CG1 4.33Å; F439-V459 HydrophobicContact CZ-CB 3.96Å; F439-V459 HydrophobicContact CZ-CG1 3.62Å; F439-I460 HydrophobicContact CE1-CG1 4.3Å; F439-I460 HydrophobicContact CZ-CG1 4.33Å; F439-V464 HydrophobicContact CD1-CG2 4.45Å; F439-V464 HydrophobicContact CE1-CG2 4.16Å; F439-Y486 HydrophobicContact CD1-CD2 4.31Å; F439-Y486 AromaticContact CD1-CE2 3.56Å; F439-Y486 HydrophobicContact CD1-CE2 3.56Å; F439-Y486 HydrophobicContact CD2-CE2 4.48Å; F439-Y486 AromaticContact CE1-CD2 3.72Å; F439-Y486 HydrophobicContact CE1-CD2 3.72Å; F439-Y486 AromaticContact CE1-CE2 3.21Å; F439-Y486 HydrophobicContact CE1-CE2 3.21Å; F439-Y486 AromaticContact CE1-CZ 3.81Å; F439-Y486 HydrophobicContact CE2-CE2 4.22Å; F439-Y486 AromaticContact CE2-CZ 3.98Å; F439-Y486 HydrophobicContact CG-CE2 4.19Å; F439-Y486 HydrophobicContact CZ-CD2 4.22Å; F439-Y486 HydrophobicContact CZ-CE1 4.36Å; F439-Y486 AromaticContact CZ-CE2 3.59Å; F439-Y486 HydrophobicContact CZ-CE2 3.59Å; F439-Y486 AromaticContact CZ-CZ 3.66Å; F439-Y486 WeakPolarHBondContact O-CE2 3.36Å; F439-Y486 PolarHBondContact O-OH 3.19Å |
| 440 | G | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L436 H437 V442 N443 | L436-G440 PolarHBondContact O-N 3.17Å; H437-G440 PolarHBondContact O-N 2.89Å; G440-V442 PolarHBondContact O-N 3.17Å; G440-V442 VanDerWaalsContact O-N 3.15Å; G440-N443 WeakPolarHBondContact O-CB 3.23Å; G440-N443 PolarHBondContact O-N 3.07Å; G440-N443 VanDerWaalsContact O-N 3.09Å |
| 441 | Q | 94.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 42 Ų | 42 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.4 | -24.8 | -177 | -171.4 | 57.7 | 20.4 | 0 | 0 | 114.1 | A398 L401 H437 M438 | A398-Q441 HydrophobicContact CB-CG 4Å; A398-Q441 WeakPolarHBondContact O-CG 3.33Å; A398-Q441 PolarHBondContact O-NE2 3.34Å; A398-Q441 VanDerWaalsContact O-NE2 3.07Å; L401-Q441 HydrophobicContact CD2-CB 4.27Å; L401-Q441 HydrophobicContact CD2-CG 4.24Å; H437-Q441 WeakPolarHBondContact O-CB 3.38Å; H437-Q441 PolarHBondContact O-N 2.91Å; M438-Q441 PolarHBondContact O-N 3.28Å |
| 442 | V | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 9.8 | 179.8 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | L401 I405 I414 M438 F439 G440 A444 F445 L446 | L401-V442 HydrophobicContact CD2-CG1 4.35Å; L401-V442 HydrophobicContact CG-CG1 4.41Å; I405-V442 HydrophobicContact CD1-CB 4.05Å; I405-V442 HydrophobicContact CD1-CG1 3.92Å; I405-V442 HydrophobicContact CG2-CG1 3.8Å; I414-V442 HydrophobicContact CG2-CG1 4.35Å; M438-V442 WeakPolarHBondContact O-CG1 3.32Å; M438-V442 WeakPolarHBondContact O-CG2 3.49Å; M438-V442 PolarHBondContact O-N 3.04Å; F439-V442 WeakPolarHBondContact O-CG2 3.37Å; G440-V442 PolarHBondContact O-N 3.17Å; G440-V442 VanDerWaalsContact O-N 3.15Å; V442-A444 PolarHBondContact O-N 3.18Å; V442-F445 PolarHBondContact O-N 3.41Å; V442-L446 HydrophobicContact CG2-CD1 3.63Å; V442-L446 HydrophobicContact CG2-CG 4Å; V442-L446 PolarHBondContact O-N 3.19Å |
| 443 | N | 93.5 | Very high | 93.7 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 17% | 0.171 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -49.2 | -48.3 | -174.3 | 60.7 | 3.6 | 0 | 0 | 0 | 114.1 | G440 F445 L446 I447 Q485 Y486 | G440-N443 WeakPolarHBondContact O-CB 3.23Å; G440-N443 PolarHBondContact O-N 3.07Å; G440-N443 VanDerWaalsContact O-N 3.09Å; N443-F445 PolarHBondContact O-N 3.49Å; N443-F445 VanDerWaalsContact O-N 3.11Å; N443-L446 PolarHBondContact O-N 3.45Å; N443-L446 VanDerWaalsContact O-N 3.13Å; N443-I447 HydrophobicContact CB-CD1 4.29Å; N443-I447 WeakPolarHBondContact O-CB 3.42Å; N443-I447 VanDerWaalsContact O-CG1 3.31Å; N443-I447 WeakPolarHBondContact O-CG1 3.07Å; N443-I447 PolarHBondContact O-N 3.28Å; N443-Q485 HydrophobicContact CB-CB 4.42Å; N443-Q485 WeakPolarHBondContact CB-O 3.39Å; N443-Q485 PolarHBondContact ND2-O 3.35Å; N443-Q485 PolarHBondContact ND2-OE1 3.26Å; N443-Y486 WeakPolarHBondContact CA-OH 3.42Å; N443-Y486 HydrophobicContact CB-CD1 4.28Å; N443-Y486 HydrophobicContact CB-CE1 3.82Å; N443-Y486 HydrophobicContact CB-CE2 4.16Å |
| 444 | A | 89.8 | Confident | 93.4 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -29.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V442 K448 | V442-A444 PolarHBondContact O-N 3.18Å; A444-K448 WeakPolarHBondContact O-CD 3.41Å; A444-K448 WeakPolarHBondContact O-CG 3.26Å |
| 445 | F | 90.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 50.6 Ų | 50.6 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -89.4 | -34.7 | 178.6 | -71.2 | -95.9 | 0 | 0 | 0 | 112.6 | I405 R406 L411 V442 N443 K449 | I405-F445 HydrophobicContact CD1-CB 4.4Å; I405-F445 HydrophobicContact CD1-CD2 3.13Å; I405-F445 HydrophobicContact CD1-CE2 3.44Å; I405-F445 VanDerWaalsContact CD1-CE2 3.44Å; I405-F445 HydrophobicContact CD1-CG 3.88Å; I405-F445 HydrophobicContact CD1-CZ 4.4Å; I405-F445 HydrophobicContact CG1-CD2 3.69Å; I405-F445 HydrophobicContact CG1-CE2 3.65Å; I405-F445 HydrophobicContact CG1-CG 4.22Å; I405-F445 HydrophobicContact CG1-CZ 4.15Å; R406-F445 HydrophobicContact CG-CE1 4.34Å; R406-F445 HydrophobicContact CG-CZ 3.79Å; L411-F445 HydrophobicContact CD2-CB 4.26Å; V442-F445 PolarHBondContact O-N 3.41Å; N443-F445 PolarHBondContact O-N 3.49Å; N443-F445 VanDerWaalsContact O-N 3.11Å; F445-K449 WeakPolarHBondContact O-CG 3.45Å; F445-K449 PolarHBondContact O-N 3.27Å |
| 446 | L | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.6 | -41.7 | 179 | -66.6 | -174.4 | 0 | 0 | 0 | 111.6 | L411 V415 F439 V442 N443 K448 K449 Y452 F455 L456 Y486 | L411-L446 HydrophobicContact CD1-CD2 3.9Å; L411-L446 HydrophobicContact CD1-CG 4.46Å; L411-L446 HydrophobicContact CD2-CD2 4.12Å; L411-L446 HydrophobicContact CG-CD2 4.22Å; V415-L446 HydrophobicContact CG2-CD2 3.96Å; F439-L446 HydrophobicContact CD2-CD1 4.26Å; F439-L446 HydrophobicContact CE2-CD1 4.06Å; V442-L446 HydrophobicContact CG2-CD1 3.63Å; V442-L446 HydrophobicContact CG2-CG 4Å; V442-L446 PolarHBondContact O-N 3.19Å; N443-L446 PolarHBondContact O-N 3.45Å; N443-L446 VanDerWaalsContact O-N 3.13Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.05Å; L446-K449 PolarHBondContact O-N 2.87Å; L446-Y452 HydrophobicContact CD2-CD1 3.87Å; L446-Y452 HydrophobicContact CD2-CD2 3.79Å; L446-Y452 HydrophobicContact CD2-CE1 4.28Å; L446-Y452 HydrophobicContact CD2-CE2 4.21Å; L446-Y452 HydrophobicContact CD2-CG 3.6Å; L446-F455 HydrophobicContact CD1-CD1 4.49Å; L446-F455 HydrophobicContact CD1-CE1 4.03Å; L446-L456 HydrophobicContact CB-CD1 4Å; L446-L456 HydrophobicContact CB-CD2 3.73Å; L446-L456 HydrophobicContact CB-CG 4.16Å; L446-L456 HydrophobicContact CD1-CD2 3.76Å; L446-L456 HydrophobicContact CG-CD2 4.38Å; L446-Y486 HydrophobicContact CB-CE1 4.5Å; L446-Y486 WeakPolarHBondContact CD1-OH 3.3Å |
| 447 | I | 92.3 | Very high | 92.8 | Very high | 45 Ų | 45 | 52 Ų | 52 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 179.4 | -66.5 | 169.6 | 0 | 0 | 0 | 111 | N443 K449 L456 Y486 R488 F489 | N443-I447 HydrophobicContact CB-CD1 4.29Å; N443-I447 WeakPolarHBondContact O-CB 3.42Å; N443-I447 VanDerWaalsContact O-CG1 3.31Å; N443-I447 WeakPolarHBondContact O-CG1 3.07Å; N443-I447 PolarHBondContact O-N 3.28Å; I447-K449 VanDerWaalsContact C-N 3.34Å; I447-K449 PolarHBondContact O-N 3.29Å; I447-L456 HydrophobicContact CG1-CD1 4.46Å; I447-Y486 HydrophobicContact CD1-CD1 3.91Å; I447-Y486 HydrophobicContact CD1-CE1 4.32Å; I447-Y486 HydrophobicContact CG1-CD1 3.84Å; I447-Y486 HydrophobicContact CG1-CE1 4Å; I447-R488 HydrophobicContact CD1-CB 4.36Å; I447-F489 HydrophobicContact CG1-CB 4.48Å |
| 448 | K | 90 | Very high | 92.6 | Very high | 181 Ų | 181 | 55.1 Ų | 55.1 | 79% | 0.787 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.6 | -28.4 | -178.3 | -71.8 | -178.1 | 179.7 | -174.9 | 0 | 113.7 | A444 L446 | A444-K448 WeakPolarHBondContact O-CD 3.41Å; A444-K448 WeakPolarHBondContact O-CG 3.26Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.05Å |
| 449 | K | 90.5 | Very high | 92.6 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -95.1 | 109.8 | -172.2 | -74.7 | -177.7 | -179.8 | 177.8 | 0 | 111.9 | L411 F445 L446 I447 A451 Y452 | L411-K449 HydrophobicContact CD2-CD 3.88Å; F445-K449 WeakPolarHBondContact O-CG 3.45Å; F445-K449 PolarHBondContact O-N 3.27Å; L446-K449 PolarHBondContact O-N 2.87Å; I447-K449 VanDerWaalsContact C-N 3.34Å; I447-K449 PolarHBondContact O-N 3.29Å; K449-A451 PolarHBondContact O-N 3.15Å; K449-Y452 HydrophobicContact CB-CD2 3.8Å; K449-Y452 HydrophobicContact CB-CE2 4.39Å; K449-Y452 HydrophobicContact CD-CD2 4.24Å; K449-Y452 HydrophobicContact CD-CE2 4.03Å; K449-Y452 PolarHBondContact O-N 3.14Å | ||
| 450 | K | 89.1 | Confident | 92.5 | Very high | 177 Ų | 177 | 55.7 Ų | 55.7 | 77% | 0.77 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -49.5 | -34.4 | 178.9 | -67.3 | -176.1 | -179.5 | 178.6 | 0 | 114.3 | Y452 K453 | K450-Y452 PolarHBondContact O-N 3.31Å; K450-K453 PolarHBondContact O-N 3.17Å |
| 451 | A | 91.5 | Very high | 92.4 | Very high | 93 Ų | 93 | 58.5 Ų | 58.5 | 77% | 0.769 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -61.6 | -22.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K449 | K449-A451 PolarHBondContact O-N 3.15Š|
| 452 | Y | 92.7 | Very high | 92.3 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -100.6 | 0.7 | -178.4 | -66.2 | -76.7 | 0 | 0 | 0 | 113.7 | L411 V415 L446 K449 K450 T454 F455 L456 | L411-Y452 HydrophobicContact CD2-CD2 4.46Å; L411-Y452 HydrophobicContact CD2-CE2 3.75Å; L411-Y452 HydrophobicContact CG-CE2 4.34Å; V415-Y452 HydrophobicContact CB-CE1 4.42Å; V415-Y452 HydrophobicContact CG1-CE1 4.26Å; V415-Y452 HydrophobicContact CG2-CD1 4.42Å; V415-Y452 HydrophobicContact CG2-CE1 3.94Å; L446-Y452 HydrophobicContact CD2-CD1 3.87Å; L446-Y452 HydrophobicContact CD2-CD2 3.79Å; L446-Y452 HydrophobicContact CD2-CE1 4.28Å; L446-Y452 HydrophobicContact CD2-CE2 4.21Å; L446-Y452 HydrophobicContact CD2-CG 3.6Å; K449-Y452 HydrophobicContact CB-CD2 3.8Å; K449-Y452 HydrophobicContact CB-CE2 4.39Å; K449-Y452 HydrophobicContact CD-CD2 4.24Å; K449-Y452 HydrophobicContact CD-CE2 4.03Å; K449-Y452 PolarHBondContact O-N 3.14Å; K450-Y452 PolarHBondContact O-N 3.31Å; Y452-T454 PolarHBondContact O-N 3.39Å; Y452-F455 HydrophobicContact CD1-CB 4.45Å; Y452-F455 HydrophobicContact CD1-CD1 4.06Å; Y452-F455 HydrophobicContact CD1-CG 4.46Å; Y452-F455 WeakPolarHBondContact O-CB 3.3Å; Y452-F455 PolarHBondContact O-N 3.3Å; Y452-F455 VanDerWaalsContact O-N 3.1Å; Y452-L456 WeakPolarHBondContact O-CG 3.31Å; Y452-L456 PolarHBondContact O-N 3.33Å |
| 453 | K | 91.5 | Very high | 92.3 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.1 | -48.4 | -177.3 | -74.1 | -169.5 | 171.5 | -160.8 | 0 | 112.9 | K450 F455 L456 E457 F489 | K450-K453 PolarHBondContact O-N 3.17Å; K453-F455 VanDerWaalsContact C-N 3.33Å; K453-F455 PolarHBondContact O-N 3.17Å; K453-L456 PolarHBondContact O-N 3.01Å; K453-E457 PolarHBondContact O-N 3.23Å; K453-F489 HydrophobicContact CG-CE2 4.32Å |
| 454 | T | 91.7 | Very high | 92.4 | Very high | 110 Ų | 110 | 58.7 Ų | 58.7 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 177.7 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | Y452 T458 | Y452-T454 PolarHBondContact O-N 3.39Å; T454-T458 VanDerWaalsContact O-CB 3.29Å; T454-T458 WeakPolarHBondContact O-CB 3.37Å; T454-T458 PolarHBondContact O-N 2.96Å; T454-T458 PolarHBondContact O-OG1 3.07Å |
| 455 | F | 92.1 | Very high | 92.7 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.5 | 167.6 | -105.1 | 0 | 0 | 0 | 111.2 | V415 E419 F439 L446 Y452 K453 T458 V459 | V415-F455 HydrophobicContact CG1-CD1 4.27Å; V415-F455 HydrophobicContact CG1-CD2 4.35Å; V415-F455 HydrophobicContact CG1-CE1 3.8Å; V415-F455 HydrophobicContact CG1-CE2 3.92Å; V415-F455 HydrophobicContact CG1-CZ 3.61Å; V415-F455 HydrophobicContact CG2-CE1 4.22Å; E419-F455 HydrophobicContact CG-CD2 4.28Å; E419-F455 HydrophobicContact CG-CE2 3.37Å; E419-F455 HydrophobicContact CG-CZ 4.05Å; E419-F455 WeakPolarHBondContact OE1-CD2 2.87Å; E419-F455 VanDerWaalsContact OE1-CE2 3.31Å; E419-F455 WeakPolarHBondContact OE1-CE2 3.41Å; F439-F455 HydrophobicContact CD2-CE1 4.37Å; F439-F455 AromaticContact CE2-CE1 3.91Å; F439-F455 HydrophobicContact CE2-CE1 3.91Å; F439-F455 HydrophobicContact CE2-CZ 4.32Å; L446-F455 HydrophobicContact CD1-CD1 4.49Å; L446-F455 HydrophobicContact CD1-CE1 4.03Å; Y452-F455 HydrophobicContact CD1-CB 4.45Å; Y452-F455 HydrophobicContact CD1-CD1 4.06Å; Y452-F455 HydrophobicContact CD1-CG 4.46Å; Y452-F455 WeakPolarHBondContact O-CB 3.3Å; Y452-F455 PolarHBondContact O-N 3.3Å; Y452-F455 VanDerWaalsContact O-N 3.1Å; K453-F455 VanDerWaalsContact C-N 3.33Å; K453-F455 PolarHBondContact O-N 3.17Å; F455-T458 PolarHBondContact O-N 3.38Å; F455-V459 HydrophobicContact CD2-CG2 3.88Å; F455-V459 HydrophobicContact CE1-CG2 4.29Å; F455-V459 HydrophobicContact CE2-CG2 3.31Å; F455-V459 HydrophobicContact CZ-CG2 3.57Å; F455-V459 WeakPolarHBondContact O-CG2 3.27Å; F455-V459 PolarHBondContact O-N 3.37Å |
| 456 | L | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.9 | -52.5 | 177.6 | -74 | 179 | 0 | 0 | 0 | 111.8 | F439 L446 I447 Y452 K453 T458 V459 I460 Y486 F489 | F439-L456 HydrophobicContact CE2-CD2 3.71Å; F439-L456 HydrophobicContact CZ-CD2 3.71Å; L446-L456 HydrophobicContact CB-CD1 4Å; L446-L456 HydrophobicContact CB-CD2 3.73Å; L446-L456 HydrophobicContact CB-CG 4.16Å; L446-L456 HydrophobicContact CD1-CD2 3.76Å; L446-L456 HydrophobicContact CG-CD2 4.38Å; I447-L456 HydrophobicContact CG1-CD1 4.46Å; Y452-L456 WeakPolarHBondContact O-CG 3.31Å; Y452-L456 PolarHBondContact O-N 3.33Å; K453-L456 PolarHBondContact O-N 3.01Å; L456-T458 VanDerWaalsContact C-N 3.27Å; L456-T458 PolarHBondContact O-N 3.35Å; L456-V459 PolarHBondContact O-N 3.35Å; L456-I460 WeakPolarHBondContact O-CB 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.25Å; L456-I460 WeakPolarHBondContact O-CG1 3.36Å; L456-I460 PolarHBondContact O-N 2.99Å; L456-Y486 HydrophobicContact CD1-CE1 4.3Å; L456-Y486 HydrophobicContact CD2-CD1 4.09Å; L456-Y486 HydrophobicContact CD2-CE1 3.37Å; L456-Y486 HydrophobicContact CG-CE1 4.44Å; L456-F489 HydrophobicContact CB-CD2 4.49Å; L456-F489 HydrophobicContact CB-CE1 4.28Å; L456-F489 HydrophobicContact CB-CE2 4Å; L456-F489 HydrophobicContact CB-CZ 3.89Å; L456-F489 HydrophobicContact CD1-CD2 3.76Å; L456-F489 HydrophobicContact CD1-CE2 3.7Å; L456-F489 HydrophobicContact CD1-CZ 4.43Å |
| 457 | E | 92.8 | Very high | 93 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -36.8 | -179.6 | -171 | 162 | -172.5 | 0 | 0 | 111.8 | K453 T461 F489 F491 A492 H493 T496 | K453-E457 PolarHBondContact O-N 3.23Å; E457-T461 VanDerWaalsContact O-CB 3.25Å; E457-T461 WeakPolarHBondContact O-CB 3.47Å; E457-T461 PolarHBondContact O-N 3.41Å; E457-T461 PolarHBondContact O-OG1 3.48Å; E457-F489 HydrophobicContact CB-CE1 4.09Å; E457-F489 HydrophobicContact CB-CZ 4.27Å; E457-F491 HydrophobicContact CG-CD1 4.45Å; E457-A492 VanDerWaalsContact OE2-CB 3.28Å; E457-A492 WeakPolarHBondContact OE2-CB 3.26Å; E457-A492 PolarHBondContact OE2-N 3.49Å; E457-H493 IonicContact OE1-CD2 3.75Å; E457-T496 HydrophobicContact CG-CG2 4.45Å; E457-T496 PolarHBondContact OE1-OG1 3.41Å |
| 458 | T | 93.4 | Very high | 93.2 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -49.7 | 175.9 | -58 | 0 | 0 | 0 | 0 | 111.3 | T454 F455 L456 T461 S462 | T454-T458 VanDerWaalsContact O-CB 3.29Å; T454-T458 WeakPolarHBondContact O-CB 3.37Å; T454-T458 PolarHBondContact O-N 2.96Å; T454-T458 PolarHBondContact O-OG1 3.07Å; F455-T458 PolarHBondContact O-N 3.38Å; L456-T458 VanDerWaalsContact C-N 3.27Å; L456-T458 PolarHBondContact O-N 3.35Å; T458-T461 PolarHBondContact O-N 2.92Å; T458-S462 VanDerWaalsContact O-CB 3.24Å; T458-S462 WeakPolarHBondContact O-CB 3.44Å; T458-S462 PolarHBondContact O-N 3.35Å; T458-S462 PolarHBondContact O-OG 2.95Å |
| 459 | V | 94.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -45.2 | -179.7 | 173 | 0 | 0 | 0 | 0 | 110.9 | L422 F439 F455 L456 T461 Q463 V464 | L422-V459 HydrophobicContact CD1-CG1 4.09Å; F439-V459 HydrophobicContact CD1-CG1 4.14Å; F439-V459 HydrophobicContact CD2-CG1 4.18Å; F439-V459 HydrophobicContact CE1-CG1 3.79Å; F439-V459 HydrophobicContact CE2-CB 4.14Å; F439-V459 HydrophobicContact CE2-CG1 3.82Å; F439-V459 HydrophobicContact CG-CG1 4.33Å; F439-V459 HydrophobicContact CZ-CB 3.96Å; F439-V459 HydrophobicContact CZ-CG1 3.62Å; F455-V459 HydrophobicContact CD2-CG2 3.88Å; F455-V459 HydrophobicContact CE1-CG2 4.29Å; F455-V459 HydrophobicContact CE2-CG2 3.31Å; F455-V459 HydrophobicContact CZ-CG2 3.57Å; F455-V459 WeakPolarHBondContact O-CG2 3.27Å; F455-V459 PolarHBondContact O-N 3.37Å; L456-V459 PolarHBondContact O-N 3.35Å; V459-T461 VanDerWaalsContact C-N 3.34Å; V459-T461 PolarHBondContact O-N 2.87Å; V459-Q463 HydrophobicContact CG1-CB 4.23Å; V459-Q463 WeakPolarHBondContact O-CA 3.5Å; V459-Q463 VanDerWaalsContact O-CB 3.28Å; V459-Q463 WeakPolarHBondContact O-CB 3.32Å; V459-Q463 PolarHBondContact O-N 3.34Å; V459-V464 HydrophobicContact CG1-CG2 4.34Å; V459-V464 PolarHBondContact O-N 2.65Å |
| 460 | I | 95 | Very high | 93.6 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -59.3 | -48.1 | 178.3 | -66.7 | 166.2 | 0 | 0 | 0 | 110.2 | F439 L456 V464 V465 Y486 F489 F491 V500 | F439-I460 HydrophobicContact CE1-CG1 4.3Å; F439-I460 HydrophobicContact CZ-CG1 4.33Å; L456-I460 WeakPolarHBondContact O-CB 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.25Å; L456-I460 WeakPolarHBondContact O-CG1 3.36Å; L456-I460 PolarHBondContact O-N 2.99Å; I460-V464 WeakPolarHBondContact O-CB 3.39Å; I460-V464 PolarHBondContact O-N 3.25Å; I460-V465 HydrophobicContact CG2-CG2 4.28Å; I460-V465 WeakPolarHBondContact O-CB 3.47Å; I460-V465 WeakPolarHBondContact O-CG2 3.38Å; I460-V465 PolarHBondContact O-N 3.25Å; I460-Y486 HydrophobicContact CD1-CG 4.16Å; I460-F489 HydrophobicContact CD1-CD1 4.01Å; I460-F489 HydrophobicContact CD1-CE1 4.48Å; I460-F491 HydrophobicContact CB-CE1 4.41Å; I460-F491 HydrophobicContact CD1-CE1 4.01Å; I460-F491 HydrophobicContact CD1-CZ 4.2Å; I460-F491 HydrophobicContact CG2-CE1 3.89Å; I460-F491 HydrophobicContact CG2-CZ 4.17Å; I460-V500 HydrophobicContact CG2-CG2 3.94Å |
| 461 | T | 93.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 37% | 0.368 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -74.7 | -38 | -175.2 | -50.1 | 0 | 0 | 0 | 0 | 113.3 | E457 T458 V459 P466 T496 | E457-T461 VanDerWaalsContact O-CB 3.25Å; E457-T461 WeakPolarHBondContact O-CB 3.47Å; E457-T461 PolarHBondContact O-N 3.41Å; E457-T461 PolarHBondContact O-OG1 3.48Å; T458-T461 PolarHBondContact O-N 2.92Å; V459-T461 VanDerWaalsContact C-N 3.34Å; V459-T461 PolarHBondContact O-N 2.87Å; T461-P466 WeakPolarHBondContact O-CD 3.39Å; T461-T496 WeakPolarHBondContact OG1-CG2 3.32Å |
| 462 | S | 93.1 | Very high | 94 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 43% | 0.427 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -96.9 | -23.2 | -172.5 | 68.5 | 0 | 0 | 0 | 0 | 114.6 | T458 | T458-S462 VanDerWaalsContact O-CB 3.24Å; T458-S462 WeakPolarHBondContact O-CB 3.44Å; T458-S462 PolarHBondContact O-N 3.35Å; T458-S462 PolarHBondContact O-OG 2.95Å |
| 463 | Q | 94.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -117.8 | -46.4 | -176.4 | -58.7 | -66.3 | -17 | 0 | 0 | 112 | L422 V459 R467 | L422-Q463 HydrophobicContact CB-CG 4.24Å; L422-Q463 HydrophobicContact CD1-CB 4.29Å; L422-Q463 HydrophobicContact CD1-CG 4.25Å; L422-Q463 PolarHBondContact O-NE2 2.95Å; L422-Q463 PolarHBondContact O-OE1 3.41Å; V459-Q463 HydrophobicContact CG1-CB 4.23Å; V459-Q463 WeakPolarHBondContact O-CA 3.5Å; V459-Q463 VanDerWaalsContact O-CB 3.28Å; V459-Q463 WeakPolarHBondContact O-CB 3.32Å; V459-Q463 PolarHBondContact O-N 3.34Å; Q463-R467 WeakPolarHBondContact O-CG 3.39Å |
| 464 | V | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -77 | -56.4 | -175.3 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | L436 F439 V459 I460 R467 A468 A479 C482 I483 | L436-V464 HydrophobicContact CD2-CG2 4.03Å; F439-V464 HydrophobicContact CD1-CG2 4.45Å; F439-V464 HydrophobicContact CE1-CG2 4.16Å; V459-V464 HydrophobicContact CG1-CG2 4.34Å; V459-V464 PolarHBondContact O-N 2.65Å; I460-V464 WeakPolarHBondContact O-CB 3.39Å; I460-V464 PolarHBondContact O-N 3.25Å; V464-R467 WeakPolarHBondContact O-CB 3.32Å; V464-R467 PolarHBondContact O-N 2.87Å; V464-A468 PolarHBondContact O-N 3.06Å; V464-A479 HydrophobicContact CG1-CB 4.21Å; V464-A479 WeakPolarHBondContact CG1-O 3.34Å; V464-A479 WeakPolarHBondContact O-CB 3.49Å; V464-C482 HydrophobicContact CG1-CB 3.74Å; V464-C482 HydrophobicContact CG2-CB 4.26Å; V464-I483 HydrophobicContact CG1-CD1 4.35Å; V464-I483 HydrophobicContact CG1-CG1 3.84Å |
| 465 | V | 95.5 | Very high | 94.6 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | -176.1 | 165.9 | 0 | 0 | 0 | 0 | 112.9 | I460 R467 A468 V500 V503 | I460-V465 HydrophobicContact CG2-CG2 4.28Å; I460-V465 WeakPolarHBondContact O-CB 3.47Å; I460-V465 WeakPolarHBondContact O-CG2 3.38Å; I460-V465 PolarHBondContact O-N 3.25Å; V465-R467 VanDerWaalsContact C-N 3.25Å; V465-R467 PolarHBondContact O-N 3.35Å; V465-A468 WeakPolarHBondContact O-CB 3.34Å; V465-A468 PolarHBondContact O-N 3.11Å; V465-V500 HydrophobicContact CG2-CG2 3.64Å; V465-V503 HydrophobicContact CG1-CG2 3.89Å |
| 466 | P | 95.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -27.7 | 178.3 | -24.5 | 37.3 | 0 | 0 | 0 | 113.7 | T461 A468 S469 | T461-P466 WeakPolarHBondContact O-CD 3.39Å; P466-A468 VanDerWaalsContact C-N 3.31Å; P466-A468 PolarHBondContact O-N 3.07Å; P466-S469 PolarHBondContact O-N 3.08Å |
| 467 | R | 95.4 | Very high | 95 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 25% | 0.249 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.6 | -20.4 | -177.6 | -70 | -73.3 | -179.8 | -123.7 | -8.7 | 113.5 | Q463 V464 V465 S469 D470 R476 A479 | Q463-R467 WeakPolarHBondContact O-CG 3.39Å; V464-R467 WeakPolarHBondContact O-CB 3.32Å; V464-R467 PolarHBondContact O-N 2.87Å; V465-R467 VanDerWaalsContact C-N 3.25Å; V465-R467 PolarHBondContact O-N 3.35Å; R467-S469 PolarHBondContact O-N 2.86Å; R467-S469 VanDerWaalsContact O-N 3.15Å; R467-D470 VanDerWaalsContact CD-OD2 3.24Å; R467-D470 WeakPolarHBondContact CD-OD2 3.2Å; R467-D470 IonicContact CZ-OD2 2.82Å; R467-D470 IonicContact NE-OD2 2.75Å; R467-D470 IonicContact NH1-OD2 3.61Å; R467-D470 PolarHBondContact NH1-OD2 2.7Å; R467-D470 VanDerWaalsContact O-CB 3.23Å; R467-D470 WeakPolarHBondContact O-CB 3.43Å; R467-D470 PolarHBondContact O-N 3.16Å; R467-R476 WeakPolarHBondContact O-CG 3.45Å; R467-A479 HydrophobicContact CB-CB 3.99Å |
| 468 | A | 94.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V464 V465 P466 R476 A479 V503 C507 | V464-A468 PolarHBondContact O-N 3.06Å; V465-A468 WeakPolarHBondContact O-CB 3.34Å; V465-A468 PolarHBondContact O-N 3.11Å; P466-A468 VanDerWaalsContact C-N 3.31Å; P466-A468 PolarHBondContact O-N 3.07Å; A468-R476 VanDerWaalsContact O-CD 3.29Å; A468-R476 WeakPolarHBondContact O-CD 3.46Å; A468-A479 HydrophobicContact CB-CB 4.05Å; A468-V503 HydrophobicContact CB-CG1 3.07Å; A468-C507 PolarHBondContact O-SG 3.27Å |
| 469 | S | 94.7 | Very high | 95.4 | Very high | 84 Ų | 84 | 38.1 Ų | 38.1 | 59% | 0.587 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 22.9 | 170.6 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | P466 R467 | P466-S469 PolarHBondContact O-N 3.08Å; R467-S469 PolarHBondContact O-N 2.86Å; R467-S469 VanDerWaalsContact O-N 3.15Å |
| 470 | D | 94.5 | Very high | 95.6 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | trans | -68.8 | 155.1 | 177.7 | -153.3 | -67.1 | 0 | 0 | 0 | 111.7 | R467 V472 L475 R476 | R467-D470 VanDerWaalsContact CD-OD2 3.24Å; R467-D470 WeakPolarHBondContact CD-OD2 3.2Å; R467-D470 IonicContact CZ-OD2 2.82Å; R467-D470 IonicContact NE-OD2 2.75Å; R467-D470 IonicContact NH1-OD2 3.61Å; R467-D470 PolarHBondContact NH1-OD2 2.7Å; R467-D470 VanDerWaalsContact O-CB 3.23Å; R467-D470 WeakPolarHBondContact O-CB 3.43Å; R467-D470 PolarHBondContact O-N 3.16Å; D470-V472 PolarHBondContact O-N 3.21Å; D470-V472 PolarHBondContact OD1-N 2.99Å; D470-L475 HydrophobicContact CB-CB 4.33Å; D470-R476 HydrophobicContact CB-CG 4.43Å; D470-R476 VanDerWaalsContact O-CD 3.26Å; D470-R476 WeakPolarHBondContact O-CD 3.4Å; D470-R476 WeakPolarHBondContact O-CG 3.39Å; D470-R476 PolarHBondContact O-NH1 3.01Å | ||
| 471 | K | 93.8 | Very high | 95.7 | Very high | 204 Ų | 204 | 38.8 Ų | 38.8 | 89% | 0.887 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -67 | -30.9 | 174 | -64.4 | -175.6 | -179.6 | -178.4 | 0 | 111.4 | R476 | K471-R476 PolarHBondContact O-NH1 2.85Š|
| 472 | V | 95.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 36 Ų | 36 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -80 | 122.6 | 179.9 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | P429 D470 F474 L475 R476 | P429-V472 HydrophobicContact CB-CG1 4.16Å; P429-V472 HydrophobicContact CB-CG2 4.18Å; P429-V472 HydrophobicContact CG-CG2 4.1Å; D470-V472 PolarHBondContact O-N 3.21Å; D470-V472 PolarHBondContact OD1-N 2.99Å; V472-F474 HydrophobicContact CG1-CD1 3.64Å; V472-F474 HydrophobicContact CG1-CD2 4.23Å; V472-F474 HydrophobicContact CG1-CE1 3.31Å; V472-F474 HydrophobicContact CG1-CE2 3.94Å; V472-F474 HydrophobicContact CG1-CG 4.1Å; V472-F474 HydrophobicContact CG1-CZ 3.5Å; V472-F474 VanDerWaalsContact CG1-CZ 3.5Å; V472-L475 HydrophobicContact CB-CB 4.26Å; V472-L475 HydrophobicContact CB-CD1 3.95Å; V472-L475 HydrophobicContact CB-CG 4.04Å; V472-L475 HydrophobicContact CG1-CB 4.46Å; V472-L475 HydrophobicContact CG1-CD1 4.3Å; V472-L475 HydrophobicContact CG1-CG 3.99Å; V472-L475 HydrophobicContact CG2-CD1 4.35Å; V472-L475 PolarHBondContact O-N 3.13Å; V472-R476 PolarHBondContact O-N 3.39Å |
| 473 | R | 95.5 | Very high | 96 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | -173.2 | 54.3 | -177.4 | 175.8 | -178.6 | 0.5 | 114.5 | E369 W372 L475 R476 A477 E513 | E369-R473 IonicContact OE1-CZ 3.56Å; E369-R473 VanDerWaalsContact OE1-CZ 3.26Å; E369-R473 IonicContact OE1-NE 3.67Å; E369-R473 PolarHBondContact OE1-NE 3.43Å; E369-R473 IonicContact OE1-NH2 2.91Å; E369-R473 PolarHBondContact OE1-NH2 2.85Å; W372-R473 HydrophobicContact CZ2-CB 4.14Å; W372-R473 HydrophobicContact CZ2-CG 4.29Å; R473-L475 VanDerWaalsContact C-N 3.26Å; R473-L475 PolarHBondContact O-N 3Å; R473-R476 WeakPolarHBondContact O-CB 3.23Å; R473-R476 PolarHBondContact O-N 3.32Å; R473-A477 PolarHBondContact O-N 2.94Å; R473-E513 HydrophobicContact CB-CG 3.87Å; R473-E513 IonicContact NH1-OE2 3.87Å |
| 474 | F | 95.6 | Very high | 96 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.7 | -27 | -178.2 | 62.5 | -102.3 | 0 | 0 | 0 | 112.9 | H364 W372 P429 Q430 D433 V472 R476 A477 R478 | H364-F474 HydrophobicContact CB-CD2 3.9Å; H364-F474 HydrophobicContact CB-CE2 4.04Å; H364-F474 HydrophobicContact CB-CG 4.24Å; H364-F474 HydrophobicContact CB-CZ 4.46Å; H364-F474 AromaticContact CD2-CD1 3.58Å; H364-F474 AromaticContact CD2-CE1 3.85Å; H364-F474 AromaticContact CD2-CG 3.82Å; H364-F474 AromaticContact CG-CD2 3.97Å; H364-F474 AromaticContact CG-CG 3.78Å; H364-F474 AromaticContact ND1-CG 3.98Å; H364-F474 AromaticContact NE2-CD1 3.73Å; W372-F474 HydrophobicContact CE3-CB 4.39Å; W372-F474 HydrophobicContact CH2-CB 4.12Å; W372-F474 HydrophobicContact CZ3-CB 3.74Å; P429-F474 HydrophobicContact CB-CE2 4.14Å; P429-F474 HydrophobicContact CB-CZ 3.68Å; Q430-F474 HydrophobicContact CG-CZ 4.39Å; D433-F474 HydrophobicContact CB-CD2 4.01Å; D433-F474 HydrophobicContact CB-CE2 3.88Å; V472-F474 HydrophobicContact CG1-CD1 3.64Å; V472-F474 HydrophobicContact CG1-CD2 4.23Å; V472-F474 HydrophobicContact CG1-CE1 3.31Å; V472-F474 HydrophobicContact CG1-CE2 3.94Å; V472-F474 HydrophobicContact CG1-CG 4.1Å; V472-F474 HydrophobicContact CG1-CZ 3.5Å; V472-F474 VanDerWaalsContact CG1-CZ 3.5Å; F474-R476 VanDerWaalsContact C-N 3.33Å; F474-R476 PolarHBondContact O-N 3.05Å; F474-A477 PolarHBondContact O-N 3.31Å; F474-R478 WeakPolarHBondContact O-CB 3.46Å; F474-R478 PolarHBondContact O-N 2.9Å |
| 475 | L | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -33.7 | 173.1 | -69.8 | -173.7 | 0 | 0 | 0 | 112.5 | P429 I432 D433 D470 V472 R473 A479 | P429-L475 HydrophobicContact CB-CD1 4.16Å; P429-L475 WeakPolarHBondContact O-CD2 3.41Å; I432-L475 HydrophobicContact CB-CD2 4.16Å; I432-L475 HydrophobicContact CG2-CD1 4.39Å; I432-L475 HydrophobicContact CG2-CD2 3.97Å; D433-L475 HydrophobicContact CB-CD2 3.91Å; D470-L475 HydrophobicContact CB-CB 4.33Å; V472-L475 HydrophobicContact CB-CB 4.26Å; V472-L475 HydrophobicContact CB-CD1 3.95Å; V472-L475 HydrophobicContact CB-CG 4.04Å; V472-L475 HydrophobicContact CG1-CB 4.46Å; V472-L475 HydrophobicContact CG1-CD1 4.3Å; V472-L475 HydrophobicContact CG1-CG 3.99Å; V472-L475 HydrophobicContact CG2-CD1 4.35Å; V472-L475 PolarHBondContact O-N 3.13Å; R473-L475 VanDerWaalsContact C-N 3.26Å; R473-L475 PolarHBondContact O-N 3Å; L475-A479 WeakPolarHBondContact O-CB 3.47Å; L475-A479 PolarHBondContact O-N 3.26Å |
| 476 | R | 97.7 | Very high | 96 | Very high | 27 Ų | 27 | 35 Ų | 35 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 174.5 | -59.7 | -164.1 | -63.4 | -84.1 | 3 | 111.3 | R467 A468 D470 K471 V472 R473 F474 A479 C480 D511 V516 | R467-R476 WeakPolarHBondContact O-CG 3.45Å; A468-R476 VanDerWaalsContact O-CD 3.29Å; A468-R476 WeakPolarHBondContact O-CD 3.46Å; D470-R476 HydrophobicContact CB-CG 4.43Å; D470-R476 VanDerWaalsContact O-CD 3.26Å; D470-R476 WeakPolarHBondContact O-CD 3.4Å; D470-R476 WeakPolarHBondContact O-CG 3.39Å; D470-R476 PolarHBondContact O-NH1 3.01Å; K471-R476 PolarHBondContact O-NH1 2.85Å; V472-R476 PolarHBondContact O-N 3.39Å; R473-R476 WeakPolarHBondContact O-CB 3.23Å; R473-R476 PolarHBondContact O-N 3.32Å; F474-R476 VanDerWaalsContact C-N 3.33Å; F474-R476 PolarHBondContact O-N 3.05Å; R476-A479 PolarHBondContact O-N 3.4Å; R476-C480 PolarHBondContact O-N 3.4Å; R476-C480 VanDerWaalsContact O-N 3.16Å; R476-C480 PolarHBondContact O-SG 3.48Å; R476-C480 VanDerWaalsContact O-SG 3.37Å; R476-D511 WeakPolarHBondContact CD-OD2 3.45Å; R476-D511 IonicContact CZ-OD1 3.86Å; R476-D511 IonicContact CZ-OD2 3.57Å; R476-D511 IonicContact NE-OD1 3.61Å; R476-D511 IonicContact NE-OD2 2.83Å; R476-D511 PolarHBondContact NE-OD2 2.91Å; R476-D511 IonicContact NH2-OD1 3.37Å; R476-D511 PolarHBondContact NH2-OD1 3.25Å; R476-D511 IonicContact NH2-OD2 3.92Å; R476-V516 HydrophobicContact CB-CG1 3.83Å; R476-V516 HydrophobicContact CB-CG2 4.01Å |
| 477 | A | 96.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W372 R473 F474 A479 C480 W481 V516 E519 | W372-A477 HydrophobicContact CH2-CB 3.68Å; W372-A477 HydrophobicContact CZ3-CB 4.31Å; R473-A477 PolarHBondContact O-N 2.94Å; F474-A477 PolarHBondContact O-N 3.31Å; A477-A479 VanDerWaalsContact C-N 3.27Å; A477-A479 PolarHBondContact O-N 3.37Å; A477-C480 PolarHBondContact O-N 3.37Å; A477-C480 VanDerWaalsContact O-N 3.14Å; A477-W481 PolarHBondContact O-N 2.94Å; A477-V516 HydrophobicContact CB-CG2 3.99Å; A477-E519 HydrophobicContact CB-CG 4.05Å |
| 478 | R | 97.2 | Very high | 95.8 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -34.7 | 177.4 | -175.3 | 62.2 | 64.8 | -170.2 | 3 | 112.9 | D433 L436 F474 W481 C482 | D433-R478 WeakPolarHBondContact OD1-CB 3.34Å; D433-R478 WeakPolarHBondContact OD1-CG 3.26Å; D433-R478 IonicContact OD1-CZ 3.53Å; D433-R478 IonicContact OD1-NE 3.64Å; D433-R478 PolarHBondContact OD1-NE 3.31Å; D433-R478 IonicContact OD1-NH2 3.57Å; D433-R478 IonicContact OD2-NE 2.73Å; D433-R478 IonicContact OD2-NH2 3.53Å; D433-R478 PolarHBondContact OD2-NH2 3.37Å; L436-R478 HydrophobicContact CB-CG 3.58Å; L436-R478 HydrophobicContact CD1-CG 4.08Å; F474-R478 WeakPolarHBondContact O-CB 3.46Å; F474-R478 PolarHBondContact O-N 2.9Å; R478-W481 PolarHBondContact O-N 3.39Å; R478-C482 WeakPolarHBondContact O-CB 3.5Å; R478-C482 PolarHBondContact O-N 3.31Å; R478-C482 PolarHBondContact O-SG 3.47Å |
| 479 | A | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V464 R467 A468 L475 R476 A477 C482 I483 | V464-A479 HydrophobicContact CG1-CB 4.21Å; V464-A479 WeakPolarHBondContact CG1-O 3.34Å; V464-A479 WeakPolarHBondContact O-CB 3.49Å; R467-A479 HydrophobicContact CB-CB 3.99Å; A468-A479 HydrophobicContact CB-CB 4.05Å; L475-A479 WeakPolarHBondContact O-CB 3.47Å; L475-A479 PolarHBondContact O-N 3.26Å; R476-A479 PolarHBondContact O-N 3.4Å; A477-A479 VanDerWaalsContact C-N 3.27Å; A477-A479 PolarHBondContact O-N 3.37Å; A479-C482 PolarHBondContact O-N 3.37Å; A479-I483 WeakPolarHBondContact O-CG1 3.42Å; A479-I483 PolarHBondContact O-N 3.4Å |
| 480 | C | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 175.1 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | R476 A477 C482 I483 Q484 E519 A520 A523 | R476-C480 PolarHBondContact O-N 3.4Å; R476-C480 VanDerWaalsContact O-N 3.16Å; R476-C480 PolarHBondContact O-SG 3.48Å; R476-C480 VanDerWaalsContact O-SG 3.37Å; A477-C480 PolarHBondContact O-N 3.37Å; A477-C480 VanDerWaalsContact O-N 3.14Å; C480-C482 VanDerWaalsContact C-N 3.33Å; C480-C482 PolarHBondContact O-N 3Å; C480-I483 WeakPolarHBondContact O-CB 3.24Å; C480-I483 PolarHBondContact O-N 3.42Å; C480-Q484 PolarHBondContact O-N 2.95Å; C480-E519 HydrophobicContact CB-CB 3.71Å; C480-A520 HydrophobicContact CB-CB 4.46Å; C480-A523 WeakPolarHBondContact O-CB 3.48Å |
| 481 | W | 97.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.6 | -43.1 | 173.7 | -178.2 | 79.7 | 0 | 0 | 0 | 112.4 | H437 A477 R478 I483 Q484 Q485 E519 | H437-W481 AromaticContact CD2-CH2 3.56Å; H437-W481 AromaticContact CD2-CZ3 3.96Å; A477-W481 PolarHBondContact O-N 2.94Å; R478-W481 PolarHBondContact O-N 3.39Å; W481-I483 VanDerWaalsContact C-N 3.32Å; W481-I483 PolarHBondContact O-N 2.75Å; W481-Q484 VanDerWaalsContact O-CB 3.26Å; W481-Q484 WeakPolarHBondContact O-CB 3.22Å; W481-Q484 PolarHBondContact O-N 2.69Å; W481-Q485 HydrophobicContact CD2-CG 3.99Å; W481-Q485 HydrophobicContact CE3-CG 4.1Å; W481-Q485 HydrophobicContact CH2-CG 3.79Å; W481-Q485 HydrophobicContact CZ2-CG 3.65Å; W481-Q485 HydrophobicContact CZ3-CG 4.01Å; W481-Q485 WeakPolarHBondContact O-CG 3.39Å; W481-Q485 PolarHBondContact O-N 3.41Å; W481-E519 VanDerWaalsContact CB-OE2 3.3Å; W481-E519 WeakPolarHBondContact CB-OE2 3.32Å |
| 482 | C | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -38.9 | 176 | -73.6 | 0 | 0 | 0 | 0 | 112.2 | L436 V464 R478 A479 C480 Q484 Q485 Y486 | L436-C482 PolarHBondContact O-SG 3.41Å; V464-C482 HydrophobicContact CG1-CB 3.74Å; V464-C482 HydrophobicContact CG2-CB 4.26Å; R478-C482 WeakPolarHBondContact O-CB 3.5Å; R478-C482 PolarHBondContact O-N 3.31Å; R478-C482 PolarHBondContact O-SG 3.47Å; A479-C482 PolarHBondContact O-N 3.37Å; C480-C482 VanDerWaalsContact C-N 3.33Å; C480-C482 PolarHBondContact O-N 3Å; C482-Q484 VanDerWaalsContact C-N 3.31Å; C482-Q485 PolarHBondContact O-N 2.84Å; C482-Y486 WeakPolarHBondContact O-CD2 3.48Å; C482-Y486 PolarHBondContact O-N 2.91Å; C482-Y486 VanDerWaalsContact O-N 3.16Å |
| 483 | I | 96.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.1 | -68.5 | 165.4 | 0 | 0 | 0 | 110.1 | V464 A479 C480 W481 Q485 Y486 S487 V500 V504 A523 I527 | V464-I483 HydrophobicContact CG1-CD1 4.35Å; V464-I483 HydrophobicContact CG1-CG1 3.84Å; A479-I483 WeakPolarHBondContact O-CG1 3.42Å; A479-I483 PolarHBondContact O-N 3.4Å; C480-I483 WeakPolarHBondContact O-CB 3.24Å; C480-I483 PolarHBondContact O-N 3.42Å; W481-I483 VanDerWaalsContact C-N 3.32Å; W481-I483 PolarHBondContact O-N 2.75Å; I483-Q485 PolarHBondContact O-N 3.27Å; I483-Y486 CarbonylContact O-C 3.52Å; I483-Y486 PolarHBondContact O-N 2.78Å; I483-Y486 VanDerWaalsContact O-N 3.17Å; I483-S487 PolarHBondContact O-N 2.92Å; I483-V500 HydrophobicContact CB-CG1 4.4Å; I483-V500 HydrophobicContact CD1-CG1 4.11Å; I483-V500 HydrophobicContact CG1-CG1 4.08Å; I483-V500 HydrophobicContact CG2-CG1 3.44Å; I483-V500 VanDerWaalsContact CG2-CG1 3.44Å; I483-V504 HydrophobicContact CB-CG2 4.27Å; I483-V504 HydrophobicContact CD1-CG2 3.7Å; I483-V504 HydrophobicContact CG2-CG2 3.76Å; I483-A523 HydrophobicContact CG2-CB 4.39Å; I483-I527 HydrophobicContact CG2-CD1 3.79Å; I483-I527 HydrophobicContact CG2-CG1 4.39Å |
| 484 | Q | 95.4 | Very high | 93.5 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 16% | 0.159 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55 | -49.3 | 171.8 | -172.1 | -164.5 | 0.8 | 0 | 0 | 111.1 | C480 W481 C482 Y486 S487 A523 M526 | C480-Q484 PolarHBondContact O-N 2.95Å; W481-Q484 VanDerWaalsContact O-CB 3.26Å; W481-Q484 WeakPolarHBondContact O-CB 3.22Å; W481-Q484 PolarHBondContact O-N 2.69Å; C482-Q484 VanDerWaalsContact C-N 3.31Å; Q484-Y486 PolarHBondContact O-N 3.29Å; Q484-Y486 VanDerWaalsContact O-N 3.14Å; Q484-S487 WeakPolarHBondContact O-CB 3.48Å; Q484-S487 PolarHBondContact O-N 2.88Å; Q484-S487 PolarHBondContact O-OG 3.11Å; Q484-A523 HydrophobicContact CB-CB 4.09Å; Q484-M526 HydrophobicContact CG-CB 4.08Å; Q484-M526 HydrophobicContact CG-CG 3.5Å; Q484-M526 VanDerWaalsContact CG-CG 3.5Å |
| 485 | Q | 95.8 | Very high | 93 | Very high | 48 Ų | 48 | 40 Ų | 40 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -22.2 | -179.8 | -65.3 | -45.1 | -50.6 | 0 | 0 | 114.2 | N443 W481 C482 I483 | N443-Q485 HydrophobicContact CB-CB 4.42Å; N443-Q485 WeakPolarHBondContact CB-O 3.39Å; N443-Q485 PolarHBondContact ND2-O 3.35Å; N443-Q485 PolarHBondContact ND2-OE1 3.26Å; W481-Q485 HydrophobicContact CD2-CG 3.99Å; W481-Q485 HydrophobicContact CE3-CG 4.1Å; W481-Q485 HydrophobicContact CH2-CG 3.79Å; W481-Q485 HydrophobicContact CZ2-CG 3.65Å; W481-Q485 HydrophobicContact CZ3-CG 4.01Å; W481-Q485 WeakPolarHBondContact O-CG 3.39Å; W481-Q485 PolarHBondContact O-N 3.41Å; C482-Q485 PolarHBondContact O-N 2.84Å; I483-Q485 PolarHBondContact O-N 3.27Å |
| 486 | Y | 95.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 17.3 | 179.9 | -74 | -80 | 0 | 0 | 0 | 113.2 | F439 N443 L446 I447 L456 I460 C482 I483 Q484 R488 F489 | F439-Y486 HydrophobicContact CD1-CD2 4.31Å; F439-Y486 AromaticContact CD1-CE2 3.56Å; F439-Y486 HydrophobicContact CD1-CE2 3.56Å; F439-Y486 HydrophobicContact CD2-CE2 4.48Å; F439-Y486 AromaticContact CE1-CD2 3.72Å; F439-Y486 HydrophobicContact CE1-CD2 3.72Å; F439-Y486 AromaticContact CE1-CE2 3.21Å; F439-Y486 HydrophobicContact CE1-CE2 3.21Å; F439-Y486 AromaticContact CE1-CZ 3.81Å; F439-Y486 HydrophobicContact CE2-CE2 4.22Å; F439-Y486 AromaticContact CE2-CZ 3.98Å; F439-Y486 HydrophobicContact CG-CE2 4.19Å; F439-Y486 HydrophobicContact CZ-CD2 4.22Å; F439-Y486 HydrophobicContact CZ-CE1 4.36Å; F439-Y486 AromaticContact CZ-CE2 3.59Å; F439-Y486 HydrophobicContact CZ-CE2 3.59Å; F439-Y486 AromaticContact CZ-CZ 3.66Å; F439-Y486 WeakPolarHBondContact O-CE2 3.36Å; F439-Y486 PolarHBondContact O-OH 3.19Å; N443-Y486 WeakPolarHBondContact CA-OH 3.42Å; N443-Y486 HydrophobicContact CB-CD1 4.28Å; N443-Y486 HydrophobicContact CB-CE1 3.82Å; N443-Y486 HydrophobicContact CB-CE2 4.16Å; L446-Y486 HydrophobicContact CB-CE1 4.5Å; L446-Y486 WeakPolarHBondContact CD1-OH 3.3Å; I447-Y486 HydrophobicContact CD1-CD1 3.91Å; I447-Y486 HydrophobicContact CD1-CE1 4.32Å; I447-Y486 HydrophobicContact CG1-CD1 3.84Å; I447-Y486 HydrophobicContact CG1-CE1 4Å; L456-Y486 HydrophobicContact CD1-CE1 4.3Å; L456-Y486 HydrophobicContact CD2-CD1 4.09Å; L456-Y486 HydrophobicContact CD2-CE1 3.37Å; L456-Y486 HydrophobicContact CG-CE1 4.44Å; I460-Y486 HydrophobicContact CD1-CG 4.16Å; C482-Y486 WeakPolarHBondContact O-CD2 3.48Å; C482-Y486 PolarHBondContact O-N 2.91Å; C482-Y486 VanDerWaalsContact O-N 3.16Å; I483-Y486 CarbonylContact O-C 3.52Å; I483-Y486 PolarHBondContact O-N 2.78Å; I483-Y486 VanDerWaalsContact O-N 3.17Å; Q484-Y486 PolarHBondContact O-N 3.29Å; Q484-Y486 VanDerWaalsContact O-N 3.14Å; Y486-R488 PolarHBondContact O-N 2.98Å; Y486-R488 VanDerWaalsContact O-N 3.14Å; Y486-F489 VanDerWaalsContact O-CB 3.22Å; Y486-F489 WeakPolarHBondContact O-CB 3.36Å; Y486-F489 PolarHBondContact O-N 3.12Å |
| 487 | S | 93.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.9 | 176.4 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | I483 Q484 F489 D530 Q531 | I483-S487 PolarHBondContact O-N 2.92Å; Q484-S487 WeakPolarHBondContact O-CB 3.48Å; Q484-S487 PolarHBondContact O-N 2.88Å; Q484-S487 PolarHBondContact O-OG 3.11Å; S487-F489 VanDerWaalsContact C-N 3.31Å; S487-F489 PolarHBondContact O-N 2.79Å; S487-D530 VanDerWaalsContact CB-OD2 3.32Å; S487-D530 WeakPolarHBondContact CB-OD2 3.39Å; S487-D530 PolarHBondContact OG-OD2 2.98Å; S487-Q531 PolarHBondContact O-NE2 3.48Å |
| 488 | R | 92.7 | Very high | 91.6 | Very high | 163 Ų | 163 | 40.2 Ų | 40.2 | 62% | 0.615 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9.2 | 176.2 | -67.1 | -178.9 | 175.8 | 170.6 | 0.2 | 114.8 | I447 Y486 R490 D530 | I447-R488 HydrophobicContact CD1-CB 4.36Å; Y486-R488 PolarHBondContact O-N 2.98Å; Y486-R488 VanDerWaalsContact O-N 3.14Å; R488-R490 PolarHBondContact O-N 3.44Å; R488-D530 HydrophobicContact CG-CB 3.84Å; R488-D530 VanDerWaalsContact CG-OD1 3.25Å; R488-D530 WeakPolarHBondContact CG-OD1 3.4Å; R488-D530 VanDerWaalsContact CG-OD2 3.32Å; R488-D530 WeakPolarHBondContact CG-OD2 3.35Å; R488-D530 IonicContact CZ-OD1 3.47Å; R488-D530 IonicContact NE-OD1 2.73Å; R488-D530 PolarHBondContact NE-OD1 3.4Å; R488-D530 IonicContact NE-OD2 3.55Å; R488-D530 IonicContact NH2-OD1 3.43Å |
| 489 | F | 92.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | -73.1 | 126.6 | -178.7 | -179.5 | -113.2 | 0 | 0 | 0 | 110.8 | I447 K453 L456 E457 I460 Y486 S487 F491 Q531 | I447-F489 HydrophobicContact CG1-CB 4.48Å; K453-F489 HydrophobicContact CG-CE2 4.32Å; L456-F489 HydrophobicContact CB-CD2 4.49Å; L456-F489 HydrophobicContact CB-CE1 4.28Å; L456-F489 HydrophobicContact CB-CE2 4Å; L456-F489 HydrophobicContact CB-CZ 3.89Å; L456-F489 HydrophobicContact CD1-CD2 3.76Å; L456-F489 HydrophobicContact CD1-CE2 3.7Å; L456-F489 HydrophobicContact CD1-CZ 4.43Å; E457-F489 HydrophobicContact CB-CE1 4.09Å; E457-F489 HydrophobicContact CB-CZ 4.27Å; I460-F489 HydrophobicContact CD1-CD1 4.01Å; I460-F489 HydrophobicContact CD1-CE1 4.48Å; Y486-F489 VanDerWaalsContact O-CB 3.22Å; Y486-F489 WeakPolarHBondContact O-CB 3.36Å; Y486-F489 PolarHBondContact O-N 3.12Å; S487-F489 VanDerWaalsContact C-N 3.31Å; S487-F489 PolarHBondContact O-N 2.79Å; F489-F491 AromaticContact CD1-CD1 3.85Å; F489-F491 HydrophobicContact CD1-CD1 3.85Å; F489-F491 HydrophobicContact CD1-CD2 4.44Å; F489-F491 AromaticContact CD1-CE1 3.75Å; F489-F491 HydrophobicContact CD1-CE1 3.75Å; F489-F491 HydrophobicContact CD1-CE2 4.35Å; F489-F491 HydrophobicContact CD1-CG 4.21Å; F489-F491 HydrophobicContact CD1-CZ 4.01Å; F489-F491 AromaticContact CE1-CD1 3.82Å; F489-F491 HydrophobicContact CE1-CD1 3.82Å; F489-F491 HydrophobicContact CE1-CE1 4.04Å; F489-F491 HydrophobicContact CE1-CG 4.35Å; F489-F491 PolarHBondContact O-N 3.44Å; F489-Q531 PolarHBondContact O-NE2 3.38Å | ||
| 490 | R | 90 | Very high | 90.9 | Very high | 122 Ų | 122 | 43.6 Ų | 43.6 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | trans | -86.3 | 106.2 | 175.3 | -62.2 | -65.2 | -174.3 | -133.9 | -3.9 | 109.9 | R488 D530 Q531 | R488-R490 PolarHBondContact O-N 3.44Å; R490-D530 PolarHBondContact NH1-O 2.9Å; R490-D530 PolarHBondContact NH2-O 3.32Å; R490-Q531 VanDerWaalsContact NH1-CD 3.33Å | ||
| 491 | F | 87.6 | Confident | 90.5 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | trans | -67.5 | 143.6 | 177.3 | -63.4 | -84.6 | 0 | 0 | 0 | 111.6 | E457 I460 F489 H493 T496 L497 V500 | E457-F491 HydrophobicContact CG-CD1 4.45Å; I460-F491 HydrophobicContact CB-CE1 4.41Å; I460-F491 HydrophobicContact CD1-CE1 4.01Å; I460-F491 HydrophobicContact CD1-CZ 4.2Å; I460-F491 HydrophobicContact CG2-CE1 3.89Å; I460-F491 HydrophobicContact CG2-CZ 4.17Å; F489-F491 AromaticContact CD1-CD1 3.85Å; F489-F491 HydrophobicContact CD1-CD1 3.85Å; F489-F491 HydrophobicContact CD1-CD2 4.44Å; F489-F491 AromaticContact CD1-CE1 3.75Å; F489-F491 HydrophobicContact CD1-CE1 3.75Å; F489-F491 HydrophobicContact CD1-CE2 4.35Å; F489-F491 HydrophobicContact CD1-CG 4.21Å; F489-F491 HydrophobicContact CD1-CZ 4.01Å; F489-F491 AromaticContact CE1-CD1 3.82Å; F489-F491 HydrophobicContact CE1-CD1 3.82Å; F489-F491 HydrophobicContact CE1-CE1 4.04Å; F489-F491 HydrophobicContact CE1-CG 4.35Å; F489-F491 PolarHBondContact O-N 3.44Å; F491-H493 VanDerWaalsContact C-N 3.28Å; F491-H493 PolarHBondContact O-N 2.87Å; F491-T496 HydrophobicContact CD1-CG2 3.48Å; F491-T496 VanDerWaalsContact CD1-CG2 3.48Å; F491-T496 HydrophobicContact CE1-CG2 3.88Å; F491-T496 HydrophobicContact CG-CG2 4.25Å; F491-L497 HydrophobicContact CD2-CB 3.96Å; F491-L497 HydrophobicContact CD2-CD1 4.01Å; F491-L497 HydrophobicContact CE2-CD1 3.99Å; F491-L497 HydrophobicContact CG-CB 4.47Å; F491-V500 HydrophobicContact CE1-CG2 4.3Å; F491-V500 HydrophobicContact CZ-CG2 4.05Å | ||
| 492 | A | 84.4 | Confident | 90.1 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 60% | 0.603 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -68.4 | -30.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E457 | E457-A492 VanDerWaalsContact OE2-CB 3.28Å; E457-A492 WeakPolarHBondContact OE2-CB 3.26Å; E457-A492 PolarHBondContact OE2-N 3.49Å |
| 493 | H | 83.2 | Confident | 89.8 | Confident | 114 Ų | 114 | 45.3 Ų | 45.3 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | trans | -119.9 | 129 | -179.3 | -57.8 | -62.8 | 0 | 0 | 0 | 111.6 | E457 F491 S495 T496 L497 | E457-H493 IonicContact OE1-CD2 3.75Å; F491-H493 VanDerWaalsContact C-N 3.28Å; F491-H493 PolarHBondContact O-N 2.87Å; H493-S495 PolarHBondContact O-N 3.31Å; H493-T496 WeakPolarHBondContact O-CB 3.46Å; H493-T496 PolarHBondContact O-N 2.72Å; H493-L497 PolarHBondContact O-N 3.33Å | ||
| 494 | M | 82.7 | Confident | 89.6 | Confident | 80 Ų | 80 | 45 Ų | 45 | 39% | 0.394 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.7 | -29.1 | 173.3 | -71.1 | -69.6 | 102.2 | 0 | 0 | 113 | T496 L497 S498 C535 | M494-T496 VanDerWaalsContact C-N 3.28Å; M494-T496 PolarHBondContact O-N 3.4Å; M494-L497 HydrophobicContact CE-CD2 4.33Å; M494-L497 PolarHBondContact O-N 3.11Å; M494-S498 WeakPolarHBondContact O-CB 3.49Å; M494-S498 PolarHBondContact O-N 2.88Å; M494-C535 HydrophobicContact CE-CB 4.39Å; M494-C535 HydrophobicContact SD-CB 3.73Å |
| 495 | S | 85.3 | Confident | 89.2 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.3 | -32.6 | 173.6 | 54.9 | 0 | 0 | 0 | 0 | 113 | H493 N499 | H493-S495 PolarHBondContact O-N 3.31Å; S495-N499 WeakPolarHBondContact O-CB 3.26Å; S495-N499 PolarHBondContact O-N 3.47Å; S495-N499 PolarHBondContact O-ND2 2.86Å |
| 496 | T | 87.5 | Confident | 88.9 | Confident | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.4 | -48 | 177.8 | -50.8 | 0 | 0 | 0 | 0 | 110 | E457 T461 F491 H493 M494 S498 N499 V500 | E457-T496 HydrophobicContact CG-CG2 4.45Å; E457-T496 PolarHBondContact OE1-OG1 3.41Å; T461-T496 WeakPolarHBondContact OG1-CG2 3.32Å; F491-T496 HydrophobicContact CD1-CG2 3.48Å; F491-T496 VanDerWaalsContact CD1-CG2 3.48Å; F491-T496 HydrophobicContact CE1-CG2 3.88Å; F491-T496 HydrophobicContact CG-CG2 4.25Å; H493-T496 WeakPolarHBondContact O-CB 3.46Å; H493-T496 PolarHBondContact O-N 2.72Å; M494-T496 VanDerWaalsContact C-N 3.28Å; M494-T496 PolarHBondContact O-N 3.4Å; T496-S498 VanDerWaalsContact C-N 3.31Å; T496-S498 PolarHBondContact O-N 3Å; T496-N499 PolarHBondContact O-N 3.36Å; T496-V500 VanDerWaalsContact O-CG2 3.29Å; T496-V500 WeakPolarHBondContact O-CG2 3.3Å; T496-V500 PolarHBondContact O-N 3.19Å |
| 497 | L | 89 | Confident | 88.8 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 174.6 | 178.5 | 59.5 | 0 | 0 | 0 | 110.9 | F491 H493 M494 N499 V500 T501 Q531 C535 V536 | F491-L497 HydrophobicContact CD2-CB 3.96Å; F491-L497 HydrophobicContact CD2-CD1 4.01Å; F491-L497 HydrophobicContact CE2-CD1 3.99Å; F491-L497 HydrophobicContact CG-CB 4.47Å; H493-L497 PolarHBondContact O-N 3.33Å; M494-L497 HydrophobicContact CE-CD2 4.33Å; M494-L497 PolarHBondContact O-N 3.11Å; L497-N499 VanDerWaalsContact C-N 3.34Å; L497-N499 PolarHBondContact O-N 3.41Å; L497-V500 PolarHBondContact O-N 3.22Å; L497-T501 PolarHBondContact O-N 2.83Å; L497-T501 PolarHBondContact O-OG1 3.44Å; L497-Q531 HydrophobicContact CD1-CG 4.1Å; L497-Q531 HydrophobicContact CD2-CG 4.46Å; L497-C535 HydrophobicContact CD2-CB 3.96Å; L497-V536 HydrophobicContact CD2-CG2 4.13Å |
| 498 | S | 85.5 | Confident | 88.6 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | M494 T496 T501 A502 Y539 | M494-S498 WeakPolarHBondContact O-CB 3.49Å; M494-S498 PolarHBondContact O-N 2.88Å; T496-S498 VanDerWaalsContact C-N 3.31Å; T496-S498 PolarHBondContact O-N 3Å; S498-T501 PolarHBondContact O-N 3.33Å; S498-A502 VanDerWaalsContact O-CB 3.26Å; S498-A502 WeakPolarHBondContact O-CB 3.39Å; S498-A502 PolarHBondContact O-N 3.09Å; S498-Y539 WeakPolarHBondContact OG-CD1 3.38Å; S498-Y539 VanDerWaalsContact OG-CE1 3.27Å; S498-Y539 WeakPolarHBondContact OG-CE1 3.47Å |
| 499 | N | 88 | Confident | 88.2 | Confident | 92 Ų | 92 | 38.4 Ų | 38.4 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.7 | -43 | 176.9 | -72.2 | -17.1 | 0 | 0 | 0 | 112.1 | S495 T496 L497 A502 V503 | S495-N499 WeakPolarHBondContact O-CB 3.26Å; S495-N499 PolarHBondContact O-N 3.47Å; S495-N499 PolarHBondContact O-ND2 2.86Å; T496-N499 PolarHBondContact O-N 3.36Å; L497-N499 VanDerWaalsContact C-N 3.34Å; L497-N499 PolarHBondContact O-N 3.41Å; N499-A502 PolarHBondContact O-N 3.02Å; N499-V503 WeakPolarHBondContact O-CB 3.29Å; N499-V503 WeakPolarHBondContact O-CG2 3.44Å; N499-V503 PolarHBondContact O-N 3.48Å; N499-V503 VanDerWaalsContact O-N 3.07Å |
| 500 | V | 91.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | I460 V465 I483 F491 T496 L497 A502 V503 V504 I527 | I460-V500 HydrophobicContact CG2-CG2 3.94Å; V465-V500 HydrophobicContact CG2-CG2 3.64Å; I483-V500 HydrophobicContact CB-CG1 4.4Å; I483-V500 HydrophobicContact CD1-CG1 4.11Å; I483-V500 HydrophobicContact CG1-CG1 4.08Å; I483-V500 HydrophobicContact CG2-CG1 3.44Å; I483-V500 VanDerWaalsContact CG2-CG1 3.44Å; F491-V500 HydrophobicContact CE1-CG2 4.3Å; F491-V500 HydrophobicContact CZ-CG2 4.05Å; T496-V500 VanDerWaalsContact O-CG2 3.29Å; T496-V500 WeakPolarHBondContact O-CG2 3.3Å; T496-V500 PolarHBondContact O-N 3.19Å; L497-V500 PolarHBondContact O-N 3.22Å; V500-A502 PolarHBondContact O-N 2.84Å; V500-V503 PolarHBondContact O-N 3.09Å; V500-V504 WeakPolarHBondContact O-CG2 3.46Å; V500-V504 PolarHBondContact O-N 3.11Å; V500-V504 VanDerWaalsContact O-N 3.13Å; V500-I527 HydrophobicContact CG1-CD1 4.35Å |
| 501 | T | 89.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 177.7 | -54 | 0 | 0 | 0 | 0 | 111.8 | L497 S498 V503 V504 V505 V536 L540 | L497-T501 PolarHBondContact O-N 2.83Å; L497-T501 PolarHBondContact O-OG1 3.44Å; S498-T501 PolarHBondContact O-N 3.33Å; T501-V503 VanDerWaalsContact C-N 3.27Å; T501-V503 PolarHBondContact O-N 3.12Å; T501-V504 PolarHBondContact O-N 3.08Å; T501-V505 HydrophobicContact CG2-CG2 4.37Å; T501-V505 VanDerWaalsContact O-CG2 3.29Å; T501-V505 WeakPolarHBondContact O-CG2 3.39Å; T501-V505 PolarHBondContact O-N 3.37Å; T501-V536 HydrophobicContact CG2-CG1 4.09Å; T501-L540 HydrophobicContact CG2-CD1 4.46Å; T501-L540 HydrophobicContact CG2-CD2 3.51Å; T501-L540 HydrophobicContact CG2-CG 3.94Å |
| 502 | A | 87.7 | Confident | 88.3 | Confident | 37 Ų | 37 | 44 Ų | 44 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S498 N499 V500 N506 | S498-A502 VanDerWaalsContact O-CB 3.26Å; S498-A502 WeakPolarHBondContact O-CB 3.39Å; S498-A502 PolarHBondContact O-N 3.09Å; N499-A502 PolarHBondContact O-N 3.02Å; V500-A502 PolarHBondContact O-N 2.84Å; A502-N506 VanDerWaalsContact O-CB 3.32Å; A502-N506 WeakPolarHBondContact O-CB 3.46Å; A502-N506 PolarHBondContact O-N 3.31Å |
| 503 | V | 91.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.2 | -44.6 | 179.3 | 165.1 | 0 | 0 | 0 | 0 | 111.5 | V465 A468 N499 V500 T501 V505 N506 C507 | V465-V503 HydrophobicContact CG1-CG2 3.89Å; A468-V503 HydrophobicContact CB-CG1 3.07Å; N499-V503 WeakPolarHBondContact O-CB 3.29Å; N499-V503 WeakPolarHBondContact O-CG2 3.44Å; N499-V503 PolarHBondContact O-N 3.48Å; N499-V503 VanDerWaalsContact O-N 3.07Å; V500-V503 PolarHBondContact O-N 3.09Å; T501-V503 VanDerWaalsContact C-N 3.27Å; T501-V503 PolarHBondContact O-N 3.12Å; V503-V505 VanDerWaalsContact C-N 3.34Å; V503-V505 PolarHBondContact O-N 3.4Å; V503-N506 WeakPolarHBondContact O-CB 3.46Å; V503-N506 PolarHBondContact O-N 2.93Å; V503-C507 PolarHBondContact O-N 3.09Å; V503-C507 PolarHBondContact O-SG 3.22Å |
| 504 | V | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | I483 V500 T501 N506 C507 L508 A520 A523 L524 I527 | I483-V504 HydrophobicContact CB-CG2 4.27Å; I483-V504 HydrophobicContact CD1-CG2 3.7Å; I483-V504 HydrophobicContact CG2-CG2 3.76Å; V500-V504 WeakPolarHBondContact O-CG2 3.46Å; V500-V504 PolarHBondContact O-N 3.11Å; V500-V504 VanDerWaalsContact O-N 3.13Å; T501-V504 PolarHBondContact O-N 3.08Å; V504-N506 VanDerWaalsContact C-N 3.3Å; V504-N506 PolarHBondContact O-N 3.42Å; V504-C507 PolarHBondContact O-N 3.14Å; V504-L508 PolarHBondContact O-N 3.46Å; V504-A520 HydrophobicContact CG1-CB 4.3Å; V504-A520 WeakPolarHBondContact CG1-O 3.22Å; V504-A523 HydrophobicContact CG1-CB 3.9Å; V504-A523 HydrophobicContact CG2-CB 4.05Å; V504-L524 HydrophobicContact CG1-CB 3.95Å; V504-I527 HydrophobicContact CG2-CD1 4.15Å |
| 505 | V | 88.1 | Confident | 89.7 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | T501 V503 L508 L509 L524 L540 I543 | T501-V505 HydrophobicContact CG2-CG2 4.37Å; T501-V505 VanDerWaalsContact O-CG2 3.29Å; T501-V505 WeakPolarHBondContact O-CG2 3.39Å; T501-V505 PolarHBondContact O-N 3.37Å; V503-V505 VanDerWaalsContact C-N 3.34Å; V503-V505 PolarHBondContact O-N 3.4Å; V505-L508 PolarHBondContact O-N 3.26Å; V505-L509 HydrophobicContact CG1-CD1 3.61Å; V505-L509 HydrophobicContact CG1-CG 4.22Å; V505-L509 WeakPolarHBondContact O-CB 3.48Å; V505-L509 VanDerWaalsContact O-CG 3.24Å; V505-L509 WeakPolarHBondContact O-CG 3.44Å; V505-L509 PolarHBondContact O-N 3.36Å; V505-L509 VanDerWaalsContact O-N 3.11Å; V505-L524 HydrophobicContact CG2-CD1 4.16Å; V505-L540 HydrophobicContact CG2-CD2 3.56Å; V505-I543 HydrophobicContact CG1-CG2 3.5Å |
| 506 | N | 89.1 | Confident | 90.2 | Very high | 75 Ų | 75 | 31.2 Ų | 31.2 | 40% | 0.401 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.8 | -179 | 86.9 | 0 | 0 | 0 | 111.9 | A502 V503 V504 L509 H510 | A502-N506 VanDerWaalsContact O-CB 3.32Å; A502-N506 WeakPolarHBondContact O-CB 3.46Å; A502-N506 PolarHBondContact O-N 3.31Å; V503-N506 WeakPolarHBondContact O-CB 3.46Å; V503-N506 PolarHBondContact O-N 2.93Å; V504-N506 VanDerWaalsContact C-N 3.3Å; V504-N506 PolarHBondContact O-N 3.42Å; N506-L509 PolarHBondContact O-N 3.28Å; N506-H510 WeakPolarHBondContact O-CB 3.3Å; N506-H510 PolarHBondContact O-N 3.4Å; N506-H510 PolarHBondContact OD1-CD2 3.47Å |
| 507 | C | 92.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.5 | -71.5 | 0 | 0 | 0 | 0 | 111.7 | A468 V503 V504 L509 D511 V516 A520 | A468-C507 PolarHBondContact O-SG 3.27Å; V503-C507 PolarHBondContact O-N 3.09Å; V503-C507 PolarHBondContact O-SG 3.22Å; V504-C507 PolarHBondContact O-N 3.14Å; C507-L509 VanDerWaalsContact C-N 3.29Å; C507-L509 PolarHBondContact O-N 3.17Å; C507-D511 WeakPolarHBondContact O-CB 3.48Å; C507-D511 PolarHBondContact O-N 3.22Å; C507-V516 HydrophobicContact CB-CG1 4.1Å; C507-A520 HydrophobicContact CB-CB 3.75Å |
| 508 | L | 89.7 | Confident | 90.7 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.3 | -41.5 | 177.7 | 177.9 | 58.7 | 0 | 0 | 0 | 112.6 | V504 V505 K517 A520 A521 L524 I564 M567 | V504-L508 PolarHBondContact O-N 3.46Å; V505-L508 PolarHBondContact O-N 3.26Å; L508-K517 WeakPolarHBondContact CD1-O 3.17Å; L508-A520 HydrophobicContact CB-CB 3.89Å; L508-A521 HydrophobicContact CD1-CB 3.85Å; L508-L524 HydrophobicContact CD2-CD2 3.82Å; L508-I564 HydrophobicContact CD1-CG1 4.39Å; L508-I564 HydrophobicContact CD2-CD1 4.45Å; L508-M567 HydrophobicContact CD1-CE 3.61Å |
| 509 | L | 84.7 | Confident | 91.2 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -97.8 | -22.9 | -169.2 | -62.1 | 179.9 | 0 | 0 | 0 | 115.2 | V505 N506 C507 R560 | V505-L509 HydrophobicContact CG1-CD1 3.61Å; V505-L509 HydrophobicContact CG1-CG 4.22Å; V505-L509 WeakPolarHBondContact O-CB 3.48Å; V505-L509 VanDerWaalsContact O-CG 3.24Å; V505-L509 WeakPolarHBondContact O-CG 3.44Å; V505-L509 PolarHBondContact O-N 3.36Å; V505-L509 VanDerWaalsContact O-N 3.11Å; N506-L509 PolarHBondContact O-N 3.28Å; C507-L509 VanDerWaalsContact C-N 3.29Å; C507-L509 PolarHBondContact O-N 3.17Å; L509-R560 HydrophobicContact CD1-CG 4.21Å; L509-R560 HydrophobicContact CD2-CB 4.05Å; L509-R560 HydrophobicContact CD2-CG 3.71Å |
| 510 | H | 87 | Confident | 91.5 | Very high | 131 Ų | 131 | 26.4 Ų | 26.4 | 61% | 0.606 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -130.7 | -6.9 | -166.8 | -58.2 | -40.6 | 0 | 0 | 0 | 114 | N506 | N506-H510 WeakPolarHBondContact O-CB 3.3Å; N506-H510 PolarHBondContact O-N 3.4Å; N506-H510 PolarHBondContact OD1-CD2 3.47Å |
| 511 | D | 92.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | trans | -68.9 | 156.7 | 172.7 | -147.1 | -69.7 | 0 | 0 | 0 | 110.8 | R476 C507 E513 V516 K517 | R476-D511 WeakPolarHBondContact CD-OD2 3.45Å; R476-D511 IonicContact CZ-OD1 3.86Å; R476-D511 IonicContact CZ-OD2 3.57Å; R476-D511 IonicContact NE-OD1 3.61Å; R476-D511 IonicContact NE-OD2 2.83Å; R476-D511 PolarHBondContact NE-OD2 2.91Å; R476-D511 IonicContact NH2-OD1 3.37Å; R476-D511 PolarHBondContact NH2-OD1 3.25Å; R476-D511 IonicContact NH2-OD2 3.92Å; C507-D511 WeakPolarHBondContact O-CB 3.48Å; C507-D511 PolarHBondContact O-N 3.22Å; D511-E513 PolarHBondContact OD1-N 3.41Å; D511-V516 HydrophobicContact CB-CB 4.32Å; D511-V516 HydrophobicContact CB-CG1 4.09Å; D511-V516 WeakPolarHBondContact OD2-CG1 3.39Å; D511-K517 HydrophobicContact CB-CG 4.28Å; D511-K517 WeakPolarHBondContact O-CE 3.31Å; D511-K517 PolarHBondContact O-NZ 3.28Å | ||
| 512 | T | 91.7 | Very high | 91.8 | Very high | 114 Ų | 114 | 26.3 Ų | 26.3 | 70% | 0.699 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -94.6 | -20.3 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 112 | ||
| 513 | E | 94 | Very high | 92.1 | Very high | 45 Ų | 45 | 24.6 Ų | 24.6 | 21% | 0.21 | 13% | 0.129 | C | C | . | . | trans | -94.6 | 119.6 | -173 | -57.3 | -70.2 | 146.9 | 0 | 0 | 110.7 | W372 R473 D511 V516 K517 | W372-E513 HydrophobicContact CZ2-CB 4.22Å; W372-E513 PolarHBondContact NE1-OE2 3.07Å; R473-E513 HydrophobicContact CB-CG 3.87Å; R473-E513 IonicContact NH1-OE2 3.87Å; D511-E513 PolarHBondContact OD1-N 3.41Å; E513-V516 HydrophobicContact CB-CB 4.2Å; E513-V516 HydrophobicContact CB-CG2 3.73Å; E513-V516 HydrophobicContact CG-CG2 4.44Å; E513-V516 WeakPolarHBondContact O-CB 3.13Å; E513-V516 PolarHBondContact O-N 3.43Å; E513-V516 VanDerWaalsContact O-N 3.1Å; E513-K517 PolarHBondContact O-N 3.43Å | ||
| 514 | I | 92.5 | Very high | 92.2 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.1 | -46.8 | 179.5 | -62.8 | 166.8 | 0 | 0 | 0 | 112.1 | Q377 V516 K517 V518 E570 T571 | Q377-I514 HydrophobicContact CG-CD1 4.36Å; Q377-I514 VanDerWaalsContact NE2-CD1 3.34Å; I514-V516 PolarHBondContact O-N 3.22Å; I514-K517 PolarHBondContact O-N 2.95Å; I514-V518 HydrophobicContact CG2-CG2 4.26Å; I514-V518 WeakPolarHBondContact O-CG2 3.31Å; I514-V518 PolarHBondContact O-N 3.35Å; I514-E570 VanDerWaalsContact CD1-OE2 3.27Å; I514-E570 WeakPolarHBondContact CD1-OE2 3.36Å; I514-T571 HydrophobicContact CG2-CG2 3.5Å; I514-T571 VanDerWaalsContact CG2-CG2 3.5Å |
| 515 | P | 94.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -31.5 | -179.6 | -24 | 35.4 | 0 | 0 | 0 | 113.2 | W372 P376 Y379 V380 E519 | W372-P515 HydrophobicContact CD2-CB 4.36Å; W372-P515 HydrophobicContact CD2-CG 3.97Å; W372-P515 HydrophobicContact CE3-CB 4.42Å; W372-P515 HydrophobicContact CE3-CG 4.46Å; W372-P515 HydrophobicContact CG-CG 4.45Å; W372-P515 HydrophobicContact CH2-CB 3.73Å; W372-P515 HydrophobicContact CH2-CG 4.3Å; W372-P515 HydrophobicContact CZ2-CB 3.63Å; W372-P515 HydrophobicContact CZ2-CG 3.77Å; W372-P515 HydrophobicContact CZ3-CB 4.13Å; P376-P515 HydrophobicContact CB-CG 4.13Å; Y379-P515 HydrophobicContact CD1-CB 3.89Å; Y379-P515 HydrophobicContact CD1-CG 3.86Å; Y379-P515 HydrophobicContact CE1-CB 4.05Å; Y379-P515 HydrophobicContact CE1-CG 4.46Å; V380-P515 HydrophobicContact CG2-CB 4.04Å; V380-P515 HydrophobicContact CG2-CG 4Å; P515-E519 WeakPolarHBondContact O-CG 3.4Å; P515-E519 PolarHBondContact O-N 3.04Å; P515-E519 VanDerWaalsContact O-N 3.13Å |
| 516 | V | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | W372 R476 A477 C507 D511 E513 I514 E519 A520 | W372-V516 HydrophobicContact CH2-CG2 4.3Å; W372-V516 HydrophobicContact CZ2-CG2 4.11Å; R476-V516 HydrophobicContact CB-CG1 3.83Å; R476-V516 HydrophobicContact CB-CG2 4.01Å; A477-V516 HydrophobicContact CB-CG2 3.99Å; C507-V516 HydrophobicContact CB-CG1 4.1Å; D511-V516 HydrophobicContact CB-CB 4.32Å; D511-V516 HydrophobicContact CB-CG1 4.09Å; D511-V516 WeakPolarHBondContact OD2-CG1 3.39Å; E513-V516 HydrophobicContact CB-CB 4.2Å; E513-V516 HydrophobicContact CB-CG2 3.73Å; E513-V516 HydrophobicContact CG-CG2 4.44Å; E513-V516 WeakPolarHBondContact O-CB 3.13Å; E513-V516 PolarHBondContact O-N 3.43Å; E513-V516 VanDerWaalsContact O-N 3.1Å; I514-V516 PolarHBondContact O-N 3.22Å; V516-E519 PolarHBondContact O-N 3.48Å; V516-A520 WeakPolarHBondContact O-CB 3.32Å; V516-A520 PolarHBondContact O-N 3.39Å |
| 517 | K | 93.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 23.4 Ų | 23.4 | 12% | 0.122 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 178.1 | -62.1 | -178.5 | -178.7 | 177.5 | 0 | 112 | L508 D511 E513 I514 A520 A521 E563 M567 | L508-K517 WeakPolarHBondContact CD1-O 3.17Å; D511-K517 HydrophobicContact CB-CG 4.28Å; D511-K517 WeakPolarHBondContact O-CE 3.31Å; D511-K517 PolarHBondContact O-NZ 3.28Å; E513-K517 PolarHBondContact O-N 3.43Å; I514-K517 PolarHBondContact O-N 2.95Å; K517-A520 WeakPolarHBondContact O-CB 3.5Å; K517-A520 PolarHBondContact O-N 3.12Å; K517-A521 WeakPolarHBondContact O-CB 3.34Å; K517-A521 PolarHBondContact O-N 3.42Å; K517-E563 IonicContact NZ-OE1 3.7Å; K517-E563 PolarHBondContact NZ-OE1 3.35Å; K517-M567 HydrophobicContact CB-CE 4.29Å; K517-M567 HydrophobicContact CB-SD 3.26Å; K517-M567 WeakPolarHBondContact CB-SD 3.43Å; K517-M567 HydrophobicContact CD-SD 3.93Å; K517-M567 HydrophobicContact CG-SD 4.27Å |
| 518 | V | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -48.9 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | V380 Y384 I514 A520 A521 M522 M567 T571 | V380-V518 HydrophobicContact CG1-CG1 4.05Å; V380-V518 HydrophobicContact CG1-CG2 4.17Å; V380-V518 HydrophobicContact CG2-CG2 4.19Å; Y384-V518 HydrophobicContact CE2-CG1 3.96Å; I514-V518 HydrophobicContact CG2-CG2 4.26Å; I514-V518 WeakPolarHBondContact O-CG2 3.31Å; I514-V518 PolarHBondContact O-N 3.35Å; V518-A520 VanDerWaalsContact C-N 3.26Å; V518-A520 PolarHBondContact O-N 3.01Å; V518-A521 WeakPolarHBondContact O-CB 3.4Å; V518-A521 PolarHBondContact O-N 3.06Å; V518-A521 VanDerWaalsContact O-N 3.08Å; V518-M522 HydrophobicContact CG1-CE 4.37Å; V518-M522 WeakPolarHBondContact O-CG 3.47Å; V518-M522 PolarHBondContact O-N 3.04Å; V518-M567 HydrophobicContact CG2-SD 4.28Å; V518-T571 HydrophobicContact CG2-CG2 4.4Å |
| 519 | E | 95.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -36.4 | 175.6 | -68.4 | -60.3 | 144.4 | 0 | 0 | 112.6 | K383 Y384 A477 C480 W481 P515 V516 A523 | K383-E519 WeakPolarHBondContact CE-OE1 3.18Å; K383-E519 VanDerWaalsContact NZ-CD 3.25Å; K383-E519 IonicContact NZ-OE1 2.78Å; K383-E519 PolarHBondContact NZ-OE1 2.94Å; K383-E519 IonicContact NZ-OE2 3.65Å; Y384-E519 VanDerWaalsContact OH-CD 3.24Å; Y384-E519 PolarHBondContact OH-OE1 3.21Å; A477-E519 HydrophobicContact CB-CG 4.05Å; C480-E519 HydrophobicContact CB-CB 3.71Å; W481-E519 VanDerWaalsContact CB-OE2 3.3Å; W481-E519 WeakPolarHBondContact CB-OE2 3.32Å; P515-E519 WeakPolarHBondContact O-CG 3.4Å; P515-E519 PolarHBondContact O-N 3.04Å; P515-E519 VanDerWaalsContact O-N 3.13Å; V516-E519 PolarHBondContact O-N 3.48Å; E519-A523 VanDerWaalsContact O-CB 3.32Å; E519-A523 WeakPolarHBondContact O-CB 3.42Å; E519-A523 PolarHBondContact O-N 3.32Å |
| 520 | A | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C480 V504 C507 L508 V516 K517 V518 A523 L524 | C480-A520 HydrophobicContact CB-CB 4.46Å; V504-A520 HydrophobicContact CG1-CB 4.3Å; V504-A520 WeakPolarHBondContact CG1-O 3.22Å; C507-A520 HydrophobicContact CB-CB 3.75Å; L508-A520 HydrophobicContact CB-CB 3.89Å; V516-A520 WeakPolarHBondContact O-CB 3.32Å; V516-A520 PolarHBondContact O-N 3.39Å; K517-A520 WeakPolarHBondContact O-CB 3.5Å; K517-A520 PolarHBondContact O-N 3.12Å; V518-A520 VanDerWaalsContact C-N 3.26Å; V518-A520 PolarHBondContact O-N 3.01Å; A520-A523 PolarHBondContact O-N 3.33Å; A520-L524 WeakPolarHBondContact O-CB 3.31Å; A520-L524 PolarHBondContact O-N 3.13Å |
| 521 | A | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L508 K517 V518 A523 L524 Q525 L576 V579 | L508-A521 HydrophobicContact CD1-CB 3.85Å; K517-A521 WeakPolarHBondContact O-CB 3.34Å; K517-A521 PolarHBondContact O-N 3.42Å; V518-A521 WeakPolarHBondContact O-CB 3.4Å; V518-A521 PolarHBondContact O-N 3.06Å; V518-A521 VanDerWaalsContact O-N 3.08Å; A521-A523 PolarHBondContact O-N 2.97Å; A521-L524 PolarHBondContact O-N 3.29Å; A521-Q525 PolarHBondContact O-N 2.92Å; A521-L576 HydrophobicContact CB-CD2 3.91Å; A521-V579 HydrophobicContact CB-CG1 4.17Å; A521-V579 HydrophobicContact CB-CG2 4.32Å |
| 522 | M | 93.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.2 | -61.9 | -52.8 | 134.1 | 0 | 0 | 112.2 | Y384 V518 L524 Q525 M526 E575 L576 V579 | Y384-M522 HydrophobicContact CE1-CG 4.22Å; V518-M522 HydrophobicContact CG1-CE 4.37Å; V518-M522 WeakPolarHBondContact O-CG 3.47Å; V518-M522 PolarHBondContact O-N 3.04Å; M522-L524 VanDerWaalsContact C-N 3.32Å; M522-L524 PolarHBondContact O-N 3.16Å; M522-Q525 PolarHBondContact O-N 3.3Å; M522-M526 WeakPolarHBondContact O-CG 3.49Å; M522-M526 PolarHBondContact O-N 2.83Å; M522-E575 HydrophobicContact CE-CB 3.56Å; M522-E575 HydrophobicContact SD-CB 3.78Å; M522-L576 HydrophobicContact CE-CD2 3.63Å; M522-L576 HydrophobicContact CE-CG 4.09Å; M522-V579 HydrophobicContact CE-CG2 3.42Å; M522-V579 VanDerWaalsContact CE-CG2 3.42Å; M522-V579 HydrophobicContact SD-CG2 3.69Å |
| 523 | A | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | C480 I483 Q484 V504 E519 A520 A521 M526 I527 | C480-A523 WeakPolarHBondContact O-CB 3.48Å; I483-A523 HydrophobicContact CG2-CB 4.39Å; Q484-A523 HydrophobicContact CB-CB 4.09Å; V504-A523 HydrophobicContact CG1-CB 3.9Å; V504-A523 HydrophobicContact CG2-CB 4.05Å; E519-A523 VanDerWaalsContact O-CB 3.32Å; E519-A523 WeakPolarHBondContact O-CB 3.42Å; E519-A523 PolarHBondContact O-N 3.32Å; A520-A523 PolarHBondContact O-N 3.33Å; A521-A523 PolarHBondContact O-N 2.97Å; A523-M526 PolarHBondContact O-N 3.23Å; A523-I527 VanDerWaalsContact O-CG1 3.24Å; A523-I527 WeakPolarHBondContact O-CG1 3.19Å; A523-I527 PolarHBondContact O-N 3.35Å |
| 524 | L | 91.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.3 | 178.6 | 61.3 | 0 | 0 | 0 | 111.4 | V504 V505 L508 A520 A521 M522 M526 I527 L528 L540 I583 | V504-L524 HydrophobicContact CG1-CB 3.95Å; V505-L524 HydrophobicContact CG2-CD1 4.16Å; L508-L524 HydrophobicContact CD2-CD2 3.82Å; A520-L524 WeakPolarHBondContact O-CB 3.31Å; A520-L524 PolarHBondContact O-N 3.13Å; A521-L524 PolarHBondContact O-N 3.29Å; M522-L524 VanDerWaalsContact C-N 3.32Å; M522-L524 PolarHBondContact O-N 3.16Å; L524-M526 PolarHBondContact O-N 3.1Å; L524-I527 PolarHBondContact O-N 3.1Å; L524-L528 HydrophobicContact CD1-CD1 4.43Å; L524-L528 HydrophobicContact CD1-CG 4.28Å; L524-L528 HydrophobicContact CG-CD1 4.26Å; L524-L528 WeakPolarHBondContact O-CG 3.5Å; L524-L528 PolarHBondContact O-N 2.83Å; L524-L540 HydrophobicContact CD1-CD1 4.1Å; L524-L540 HydrophobicContact CD1-CD2 4.2Å; L524-I583 HydrophobicContact CD2-CD1 4.19Å |
| 525 | Q | 92 | Very high | 90.1 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 176.1 | -177.7 | -163.6 | 16.2 | 0 | 0 | 111.3 | A521 M522 I527 L528 Y529 S578 V579 C582 | A521-Q525 PolarHBondContact O-N 2.92Å; M522-Q525 PolarHBondContact O-N 3.3Å; Q525-I527 VanDerWaalsContact C-N 3.33Å; Q525-I527 PolarHBondContact O-N 2.98Å; Q525-L528 PolarHBondContact O-N 3.03Å; Q525-L528 VanDerWaalsContact O-N 3.15Å; Q525-Y529 WeakPolarHBondContact O-CB 3.37Å; Q525-Y529 PolarHBondContact O-N 3.25Å; Q525-S578 VanDerWaalsContact NE2-C 3.33Å; Q525-S578 VanDerWaalsContact NE2-CB 3.29Å; Q525-S578 PolarHBondContact NE2-O 2.8Å; Q525-V579 HydrophobicContact CB-CB 4.39Å; Q525-V579 HydrophobicContact CB-CG1 4.33Å; Q525-V579 HydrophobicContact CB-CG2 3.95Å; Q525-V579 HydrophobicContact CG-CG2 4.4Å; Q525-C582 HydrophobicContact CG-CB 3.8Å |
| 526 | M | 94.4 | Very high | 89.3 | Confident | 50 Ų | 50 | 32.2 Ų | 32.2 | 25% | 0.246 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -36 | 179.9 | -65.9 | -58.6 | 128.4 | 0 | 0 | 112.6 | Q484 M522 A523 L524 Y529 D530 | Q484-M526 HydrophobicContact CG-CB 4.08Å; Q484-M526 HydrophobicContact CG-CG 3.5Å; Q484-M526 VanDerWaalsContact CG-CG 3.5Å; M522-M526 WeakPolarHBondContact O-CG 3.49Å; M522-M526 PolarHBondContact O-N 2.83Å; A523-M526 PolarHBondContact O-N 3.23Å; L524-M526 PolarHBondContact O-N 3.1Å; M526-Y529 PolarHBondContact O-N 3.22Å; M526-D530 WeakPolarHBondContact O-CB 3.49Å; M526-D530 PolarHBondContact O-N 3.4Å |
| 527 | I | 92.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 172.3 | -71 | 165.7 | 0 | 0 | 0 | 110.6 | I483 V500 V504 A523 L524 Q525 Y529 Q531 V536 | I483-I527 HydrophobicContact CG2-CD1 3.79Å; I483-I527 HydrophobicContact CG2-CG1 4.39Å; V500-I527 HydrophobicContact CG1-CD1 4.35Å; V504-I527 HydrophobicContact CG2-CD1 4.15Å; A523-I527 VanDerWaalsContact O-CG1 3.24Å; A523-I527 WeakPolarHBondContact O-CG1 3.19Å; A523-I527 PolarHBondContact O-N 3.35Å; L524-I527 PolarHBondContact O-N 3.1Å; Q525-I527 VanDerWaalsContact C-N 3.33Å; Q525-I527 PolarHBondContact O-N 2.98Å; I527-Y529 VanDerWaalsContact C-N 3.28Å; I527-Y529 PolarHBondContact O-N 3.5Å; I527-Q531 HydrophobicContact CG2-CG 4.29Å; I527-Q531 WeakPolarHBondContact O-CB 3.4Å; I527-Q531 PolarHBondContact O-N 2.99Å; I527-V536 HydrophobicContact CG2-CG1 4.02Å; I527-V536 HydrophobicContact CG2-CG2 4.1Å |
| 528 | L | 89.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -35.7 | -179.5 | -73.1 | 179.5 | 0 | 0 | 0 | 112.5 | L524 Q525 V536 L540 I583 T586 | L524-L528 HydrophobicContact CD1-CD1 4.43Å; L524-L528 HydrophobicContact CD1-CG 4.28Å; L524-L528 HydrophobicContact CG-CD1 4.26Å; L524-L528 WeakPolarHBondContact O-CG 3.5Å; L524-L528 PolarHBondContact O-N 2.83Å; Q525-L528 PolarHBondContact O-N 3.03Å; Q525-L528 VanDerWaalsContact O-N 3.15Å; L528-V536 HydrophobicContact CD2-CG1 4.19Å; L528-L540 HydrophobicContact CD2-CD1 3.42Å; L528-L540 VanDerWaalsContact CD2-CD1 3.42Å; L528-L540 HydrophobicContact CG-CD1 4.37Å; L528-I583 HydrophobicContact CD1-CG1 4.04Å; L528-T586 HydrophobicContact CD1-CG2 4.43Å; L528-T586 HydrophobicContact CD2-CG2 3.98Å |
| 529 | Y | 90.4 | Very high | 86.4 | Confident | 176 Ų | 176 | 40.1 Ų | 40.1 | 69% | 0.69 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -77 | -49.4 | 179.7 | -176.1 | -96.4 | 0 | 0 | 0 | 112.8 | Q525 M526 I527 | Q525-Y529 WeakPolarHBondContact O-CB 3.37Å; Q525-Y529 PolarHBondContact O-N 3.25Å; M526-Y529 PolarHBondContact O-N 3.22Å; I527-Y529 VanDerWaalsContact C-N 3.28Å; I527-Y529 PolarHBondContact O-N 3.5Å |
| 530 | D | 91.2 | Very high | 85.5 | Confident | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -86.5 | -22.2 | -171.7 | -70.3 | -53.8 | 0 | 0 | 0 | 114 | S487 R488 R490 M526 | S487-D530 VanDerWaalsContact CB-OD2 3.32Å; S487-D530 WeakPolarHBondContact CB-OD2 3.39Å; S487-D530 PolarHBondContact OG-OD2 2.98Å; R488-D530 HydrophobicContact CG-CB 3.84Å; R488-D530 VanDerWaalsContact CG-OD1 3.25Å; R488-D530 WeakPolarHBondContact CG-OD1 3.4Å; R488-D530 VanDerWaalsContact CG-OD2 3.32Å; R488-D530 WeakPolarHBondContact CG-OD2 3.35Å; R488-D530 IonicContact CZ-OD1 3.47Å; R488-D530 IonicContact NE-OD1 2.73Å; R488-D530 PolarHBondContact NE-OD1 3.4Å; R488-D530 IonicContact NE-OD2 3.55Å; R488-D530 IonicContact NH2-OD1 3.43Å; R490-D530 PolarHBondContact NH1-O 2.9Å; R490-D530 PolarHBondContact NH2-O 3.32Å; M526-D530 WeakPolarHBondContact O-CB 3.49Å; M526-D530 PolarHBondContact O-N 3.4Å |
| 531 | Q | 90.5 | Very high | 84.4 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.065 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -95.4 | 148.7 | -179.3 | -59.8 | -72.8 | -20.2 | 0 | 0 | 112.6 | S487 F489 R490 L497 I527 K533 V536 | S487-Q531 PolarHBondContact O-NE2 3.48Å; F489-Q531 PolarHBondContact O-NE2 3.38Å; R490-Q531 VanDerWaalsContact NH1-CD 3.33Å; L497-Q531 HydrophobicContact CD1-CG 4.1Å; L497-Q531 HydrophobicContact CD2-CG 4.46Å; I527-Q531 HydrophobicContact CG2-CG 4.29Å; I527-Q531 WeakPolarHBondContact O-CB 3.4Å; I527-Q531 PolarHBondContact O-N 2.99Å; Q531-K533 PolarHBondContact O-N 3.34Å; Q531-V536 HydrophobicContact CB-CG2 3.62Å; Q531-V536 HydrophobicContact CG-CG2 4.45Å |
| 532 | E | 83.9 | Confident | 83.3 | Confident | 122 Ų | 122 | 47.1 Ų | 47.1 | 57% | 0.57 | 24% | 0.243 | S | C | * | . | trans | -60.3 | 125.8 | 176 | -70.3 | 170.9 | -154.1 | 0 | 0 | 110.3 | G534 C535 V536 | E532-G534 PolarHBondContact O-N 3.31Å; E532-G534 VanDerWaalsContact O-N 3.11Å; E532-C535 WeakPolarHBondContact O-CB 3.35Å; E532-C535 PolarHBondContact O-N 3.16Å; E532-V536 PolarHBondContact O-N 3.13Å | ||
| 533 | K | 77.8 | Confident | 81.9 | Confident | 126 Ų | 126 | 49.6 Ų | 49.6 | 55% | 0.548 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -51 | -40.1 | -178.3 | -70.3 | -176.3 | 179.5 | -178.2 | 0 | 111.9 | Q531 C535 V536 L537 | Q531-K533 PolarHBondContact O-N 3.34Å; K533-C535 PolarHBondContact O-N 2.93Å; K533-V536 PolarHBondContact O-N 2.88Å; K533-L537 HydrophobicContact CB-CD1 3.88Å; K533-L537 HydrophobicContact CB-CG 4.32Å; K533-L537 VanDerWaalsContact O-CB 3.25Å; K533-L537 WeakPolarHBondContact O-CB 3.49Å; K533-L537 WeakPolarHBondContact O-CG 3.42Å; K533-L537 PolarHBondContact O-N 3.03Å |
| 534 | G | 73.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.5 | -25.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E532 P538 | E532-G534 PolarHBondContact O-N 3.31Å; E532-G534 VanDerWaalsContact O-N 3.11Å; G534-P538 WeakPolarHBondContact O-CD 3.32Å; G534-P538 VanDerWaalsContact O-CG 3.24Å; G534-P538 WeakPolarHBondContact O-CG 3.46Å |
| 535 | C | 76.1 | Confident | 78.9 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84.9 | -29.1 | 178.5 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | M494 L497 E532 K533 Y539 | M494-C535 HydrophobicContact CE-CB 4.39Å; M494-C535 HydrophobicContact SD-CB 3.73Å; L497-C535 HydrophobicContact CD2-CB 3.96Å; E532-C535 WeakPolarHBondContact O-CB 3.35Å; E532-C535 PolarHBondContact O-N 3.16Å; K533-C535 PolarHBondContact O-N 2.93Å; C535-Y539 WeakPolarHBondContact O-CD2 3.44Å; C535-Y539 WeakPolarHBondContact O-CE2 3.41Å |
| 536 | V | 78.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -101.9 | -42.4 | -171.3 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | L497 T501 I527 L528 Q531 E532 K533 P538 Y539 L540 | L497-V536 HydrophobicContact CD2-CG2 4.13Å; T501-V536 HydrophobicContact CG2-CG1 4.09Å; I527-V536 HydrophobicContact CG2-CG1 4.02Å; I527-V536 HydrophobicContact CG2-CG2 4.1Å; L528-V536 HydrophobicContact CD2-CG1 4.19Å; Q531-V536 HydrophobicContact CB-CG2 3.62Å; Q531-V536 HydrophobicContact CG-CG2 4.45Å; E532-V536 PolarHBondContact O-N 3.13Å; K533-V536 PolarHBondContact O-N 2.88Å; V536-P538 VanDerWaalsContact C-CD 3.47Å; V536-Y539 PolarHBondContact O-N 2.84Å; V536-Y539 VanDerWaalsContact O-N 3.1Å; V536-L540 HydrophobicContact CG1-CD1 3.51Å; V536-L540 HydrophobicContact CG1-CG 3.85Å; V536-L540 PolarHBondContact O-N 3.03Å; V536-L540 VanDerWaalsContact O-N 3.07Å |
| 537 | L | 77.9 | Confident | 74.8 | Confident | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.7 | -40.9 | -176.3 | -71.4 | 177.8 | 0 | 0 | 0 | 114.3 | K533 Y539 L540 K541 T586 F587 | K533-L537 HydrophobicContact CB-CD1 3.88Å; K533-L537 HydrophobicContact CB-CG 4.32Å; K533-L537 VanDerWaalsContact O-CB 3.25Å; K533-L537 WeakPolarHBondContact O-CB 3.49Å; K533-L537 WeakPolarHBondContact O-CG 3.42Å; K533-L537 PolarHBondContact O-N 3.03Å; L537-Y539 PolarHBondContact O-N 3.13Å; L537-Y539 VanDerWaalsContact O-N 3.11Å; L537-L540 PolarHBondContact O-N 3.31Å; L537-K541 WeakPolarHBondContact O-CB 3.34Å; L537-K541 WeakPolarHBondContact O-CG 3.49Å; L537-K541 PolarHBondContact O-N 2.93Å; L537-T586 HydrophobicContact CD2-CG2 3.64Å; L537-F587 HydrophobicContact CD2-CD1 4.3Å; L537-F587 HydrophobicContact CD2-CE1 3.53Å; L537-F587 HydrophobicContact CD2-CZ 3.67Å |
| 538 | P | 74.3 | Confident | 72.5 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.7 | -24.8 | 179.3 | -26.1 | 36.3 | 0 | 0 | 0 | 114 | G534 V536 P542 | G534-P538 WeakPolarHBondContact O-CD 3.32Å; G534-P538 VanDerWaalsContact O-CG 3.24Å; G534-P538 WeakPolarHBondContact O-CG 3.46Å; V536-P538 VanDerWaalsContact C-CD 3.47Å; P538-P542 WeakPolarHBondContact O-CD 3.31Å; P538-P542 WeakPolarHBondContact O-CG 3.42Å |
| 539 | Y | 69.8 | Low | 70.1 | Confident | 84 Ų | 84 | 79.2 Ų | 79.2 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -93.1 | -39.4 | 178.5 | -57.4 | -72.1 | 0 | 0 | 0 | 112.1 | S498 C535 V536 L537 P542 I543 | S498-Y539 WeakPolarHBondContact OG-CD1 3.38Å; S498-Y539 VanDerWaalsContact OG-CE1 3.27Å; S498-Y539 WeakPolarHBondContact OG-CE1 3.47Å; C535-Y539 WeakPolarHBondContact O-CD2 3.44Å; C535-Y539 WeakPolarHBondContact O-CE2 3.41Å; V536-Y539 PolarHBondContact O-N 2.84Å; V536-Y539 VanDerWaalsContact O-N 3.1Å; L537-Y539 PolarHBondContact O-N 3.13Å; L537-Y539 VanDerWaalsContact O-N 3.11Å; Y539-P542 WeakPolarHBondContact O-CD 3.46Å; Y539-I543 WeakPolarHBondContact O-CD1 3.31Å; Y539-I543 WeakPolarHBondContact O-CG1 3.38Å |
| 540 | L | 74.9 | Confident | 67.9 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 176.8 | -74.3 | -177 | 0 | 0 | 0 | 111.9 | T501 V505 L524 L528 V536 L537 I543 I544 F587 | T501-L540 HydrophobicContact CG2-CD1 4.46Å; T501-L540 HydrophobicContact CG2-CD2 3.51Å; T501-L540 HydrophobicContact CG2-CG 3.94Å; V505-L540 HydrophobicContact CG2-CD2 3.56Å; L524-L540 HydrophobicContact CD1-CD1 4.1Å; L524-L540 HydrophobicContact CD1-CD2 4.2Å; L528-L540 HydrophobicContact CD2-CD1 3.42Å; L528-L540 VanDerWaalsContact CD2-CD1 3.42Å; L528-L540 HydrophobicContact CG-CD1 4.37Å; V536-L540 HydrophobicContact CG1-CD1 3.51Å; V536-L540 HydrophobicContact CG1-CG 3.85Å; V536-L540 PolarHBondContact O-N 3.03Å; V536-L540 VanDerWaalsContact O-N 3.07Å; L537-L540 PolarHBondContact O-N 3.31Å; L540-I543 CarbonylContact O-C 3.59Å; L540-I543 PolarHBondContact O-N 3.38Å; L540-I544 HydrophobicContact CB-CD1 3.83Å; L540-I544 HydrophobicContact CB-CG1 4.32Å; L540-I544 HydrophobicContact CD1-CD1 4.39Å; L540-I544 HydrophobicContact CD2-CD1 4.2Å; L540-I544 HydrophobicContact CD2-CG1 4.49Å; L540-I544 HydrophobicContact CG-CD1 4.38Å; L540-I544 WeakPolarHBondContact O-CB 3.44Å; L540-I544 VanDerWaalsContact O-CG1 3.26Å; L540-I544 WeakPolarHBondContact O-CG1 3.48Å; L540-I544 PolarHBondContact O-N 3.26Å; L540-F587 HydrophobicContact CB-CZ 3.91Å; L540-F587 HydrophobicContact CD1-CZ 4.07Å |
| 541 | K | 73.3 | Confident | 65.5 | Low | 73 Ų | 73 | 81.4 Ų | 81.4 | 32% | 0.317 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -53.2 | -54.3 | -179.1 | -80 | -172.5 | 177.5 | -162.3 | 0 | 111.9 | L537 I543 L545 F587 E589 | L537-K541 WeakPolarHBondContact O-CB 3.34Å; L537-K541 WeakPolarHBondContact O-CG 3.49Å; L537-K541 PolarHBondContact O-N 2.93Å; K541-I543 VanDerWaalsContact C-N 3.29Å; K541-I543 PolarHBondContact O-N 3.15Å; K541-L545 HydrophobicContact CB-CD1 3.98Å; K541-L545 HydrophobicContact CG-CD1 4.15Å; K541-L545 WeakPolarHBondContact O-CA 3.31Å; K541-L545 WeakPolarHBondContact O-CB 3.17Å; K541-L545 VanDerWaalsContact O-CG 3.23Å; K541-L545 WeakPolarHBondContact O-CG 3.46Å; K541-L545 PolarHBondContact O-N 2.86Å; K541-F587 HydrophobicContact CG-CE1 4.2Å; K541-E589 IonicContact NZ-OE2 3.06Å |
| 542 | P | 67.7 | Low | 63.1 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 51% | 0.506 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 176.8 | -23.1 | 32.2 | 0 | 0 | 0 | 113.9 | P538 Y539 R546 | P538-P542 WeakPolarHBondContact O-CD 3.31Å; P538-P542 WeakPolarHBondContact O-CG 3.42Å; Y539-P542 WeakPolarHBondContact O-CD 3.46Å; P542-R546 WeakPolarHBondContact O-CA 3.5Å; P542-R546 WeakPolarHBondContact O-CB 3.43Å; P542-R546 PolarHBondContact O-N 3.39Å |
| 543 | I | 65.1 | Low | 61.2 | Low | 54 Ų | 54 | 94.6 Ų | 94.6 | 28% | 0.277 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.1 | -61 | 179.3 | -66 | 169.4 | 0 | 0 | 0 | 107.9 | V505 Y539 L540 K541 R546 R560 | V505-I543 HydrophobicContact CG1-CG2 3.5Å; Y539-I543 WeakPolarHBondContact O-CD1 3.31Å; Y539-I543 WeakPolarHBondContact O-CG1 3.38Å; L540-I543 CarbonylContact O-C 3.59Å; L540-I543 PolarHBondContact O-N 3.38Å; K541-I543 VanDerWaalsContact C-N 3.29Å; K541-I543 PolarHBondContact O-N 3.15Å; I543-R546 PolarHBondContact O-N 2.99Å; I543-R560 PolarHBondContact O-NH1 3.27Å; I543-R560 PolarHBondContact O-NH2 3.25Å |
| 544 | I | 62.8 | Low | 59.7 | Low | 15 Ų | 15 | 90.9 Ų | 90.9 | 8% | 0.077 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | -175.3 | -52 | 175.6 | 0 | 0 | 0 | 112.1 | L540 F557 R560 F587 | L540-I544 HydrophobicContact CB-CD1 3.83Å; L540-I544 HydrophobicContact CB-CG1 4.32Å; L540-I544 HydrophobicContact CD1-CD1 4.39Å; L540-I544 HydrophobicContact CD2-CD1 4.2Å; L540-I544 HydrophobicContact CD2-CG1 4.49Å; L540-I544 HydrophobicContact CG-CD1 4.38Å; L540-I544 WeakPolarHBondContact O-CB 3.44Å; L540-I544 VanDerWaalsContact O-CG1 3.26Å; L540-I544 WeakPolarHBondContact O-CG1 3.48Å; L540-I544 PolarHBondContact O-N 3.26Å; I544-F557 HydrophobicContact CB-CD2 4.38Å; I544-F557 HydrophobicContact CG2-CD2 3.3Å; I544-F557 HydrophobicContact CG2-CE2 3.71Å; I544-F557 HydrophobicContact CG2-CG 4.34Å; I544-F557 WeakPolarHBondContact O-CA 3.47Å; I544-F557 PolarHBondContact O-N 3.47Å; I544-R560 VanDerWaalsContact CA-NH1 3.35Å; I544-R560 PolarHBondContact O-NE 2.72Å; I544-F587 HydrophobicContact CD1-CD2 4.39Å; I544-F587 HydrophobicContact CD1-CE1 4.13Å; I544-F587 HydrophobicContact CD1-CE2 3.54Å; I544-F587 HydrophobicContact CD1-CZ 3.4Å; I544-F587 VanDerWaalsContact CD1-CZ 3.4Å |
| 545 | L | 60.6 | Low | 58.5 | Low | 56 Ų | 56 | 90.4 Ų | 90.4 | 29% | 0.293 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.9 | -178.8 | -55 | 169.7 | 0 | 0 | 0 | 114 | K541 E547 F557 H590 | K541-L545 HydrophobicContact CB-CD1 3.98Å; K541-L545 HydrophobicContact CG-CD1 4.15Å; K541-L545 WeakPolarHBondContact O-CA 3.31Å; K541-L545 WeakPolarHBondContact O-CB 3.17Å; K541-L545 VanDerWaalsContact O-CG 3.23Å; K541-L545 WeakPolarHBondContact O-CG 3.46Å; K541-L545 PolarHBondContact O-N 2.86Å; L545-E547 PolarHBondContact O-N 2.67Å; L545-F557 HydrophobicContact CD2-CB 4.28Å; L545-F557 HydrophobicContact CD2-CD2 3.63Å; L545-F557 HydrophobicContact CD2-CE2 4.26Å; L545-F557 HydrophobicContact CD2-CG 4.13Å; L545-H590 HydrophobicContact CD2-CB 4.21Å |
| 546 | R | 54.3 | Low | 57.3 | Low | 173 Ų | 173 | 89.8 Ų | 89.8 | 65% | 0.653 | 46% | 0.455 | S | S | * | . | trans | -55.3 | 102.5 | -171.9 | -152.7 | 177.5 | -178.7 | -178.8 | 1.1 | 111.7 | P542 I543 H548 A556 | P542-R546 WeakPolarHBondContact O-CA 3.5Å; P542-R546 WeakPolarHBondContact O-CB 3.43Å; P542-R546 PolarHBondContact O-N 3.39Å; I543-R546 PolarHBondContact O-N 2.99Å; R546-H548 PolarHBondContact O-N 2.94Å; R546-A556 WeakPolarHBondContact O-CB 3.44Å | ||
| 547 | E | 47.3 | Very low | 56.1 | Low | 161 Ų | 161 | 89.9 Ų | 89.9 | 75% | 0.752 | 46% | 0.456 | S | S | * | . | trans | -54.1 | 108.1 | 170.4 | -66.6 | -175 | 164.2 | 0 | 0 | 108.6 | L545 I549 | L545-E547 PolarHBondContact O-N 2.67Å; E547-I549 VanDerWaalsContact C-N 3.33Å; E547-I549 PolarHBondContact O-N 3.06Å | ||
| 548 | H | 42.6 | Very low | 55 | Low | 137 Ų | 137 | 89.4 Ų | 89.4 | 63% | 0.634 | 45% | 0.454 | S | S | * | . | trans | -65.6 | 103.2 | 166.6 | -98.9 | 55.7 | 0 | 0 | 0 | 106.6 | R546 G550 F551 | R546-H548 PolarHBondContact O-N 2.94Å; H548-G550 PolarHBondContact O-N 3.34Å; H548-F551 PolarHBondContact O-N 3.13Å | ||
| 549 | I | 40.3 | Very low | 54.1 | Low | 175 Ų | 175 | 91.6 Ų | 91.6 | 90% | 0.897 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 84.7 | 173.7 | -57.7 | 168.6 | 0 | 0 | 0 | 107.4 | E547 | E547-I549 VanDerWaalsContact C-N 3.33Å; E547-I549 PolarHBondContact O-N 3.06Å |
| 550 | G | 44.6 | Very low | 54 | Low | 71 Ų | 71 | 89.4 Ų | 89.4 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 161.7 | -33.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | H548 K552 | H548-G550 PolarHBondContact O-N 3.34Å; G550-K552 PolarHBondContact O-N 3.21Å |
| 551 | F | 39.9 | Very low | 53.8 | Low | 172 Ų | 172 | 89.6 Ų | 89.6 | 75% | 0.754 | 45% | 0.453 | S | S | * | . | trans | -97.2 | 91.4 | 177.9 | -109.6 | -93.6 | 0 | 0 | 0 | 110.4 | H548 K553 | H548-F551 PolarHBondContact O-N 3.13Å; F551-K553 VanDerWaalsContact C-N 3.3Å; F551-K553 PolarHBondContact O-N 2.99Å | ||
| 552 | K | 39.5 | Very low | 53.7 | Low | 201 Ų | 201 | 88.3 Ų | 88.3 | 87% | 0.874 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -67.8 | 86.5 | 171.4 | -73.4 | -179.5 | 175.7 | 179.5 | 0 | 109.6 | G550 | G550-K552 PolarHBondContact O-N 3.21Š|
| 553 | K | 44.9 | Very low | 54.1 | Low | 212 Ų | 212 | 86.6 Ų | 86.6 | 92% | 0.922 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 155.5 | -17.5 | 142 | -86.7 | 176.3 | 178.4 | -169.4 | 0 | 115.3 | F551 | F551-K553 VanDerWaalsContact C-N 3.3Å; F551-K553 PolarHBondContact O-N 2.99Å |
| 554 | A | 45.3 | Very low | 55.1 | Low | 49 Ų | 49 | 84.2 Ų | 84.2 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | trans | -101.9 | 122.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 555 | S | 49.5 | Very low | 56.1 | Low | 52 Ų | 52 | 83.6 Ų | 83.6 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | trans | -60.7 | 143.2 | 170.2 | 79.2 | 0 | 0 | 0 | 0 | 108.4 | F557 T558 L559 | S555-F557 PolarHBondContact O-N 3.33Å; S555-F557 VanDerWaalsContact O-N 3.12Å; S555-F557 WeakPolarHBondContact OG-CB 3.45Å; S555-T558 VanDerWaalsContact O-CB 3.29Å; S555-T558 WeakPolarHBondContact O-CB 3.3Å; S555-T558 PolarHBondContact O-N 2.86Å; S555-T558 PolarHBondContact O-OG1 2.9Å; S555-T558 PolarHBondContact OG-N 3.09Å; S555-T558 VanDerWaalsContact OG-N 3.11Å; S555-T558 PolarHBondContact OG-OG1 3.03Å; S555-L559 PolarHBondContact O-N 3.47Å | ||
| 556 | A | 50.7 | Low | 57.3 | Low | 12 Ų | 12 | 85.4 Ų | 85.4 | 10% | 0.099 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.9 | -18.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R546 R560 | R546-A556 WeakPolarHBondContact O-CB 3.44Å; A556-R560 VanDerWaalsContact O-CD 3.3Å; A556-R560 WeakPolarHBondContact O-CD 3.45Å; A556-R560 VanDerWaalsContact O-CG 3.27Å; A556-R560 WeakPolarHBondContact O-CG 3.21Å; A556-R560 PolarHBondContact O-NE 3.2Å |
| 557 | F | 53.9 | Low | 58.8 | Low | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 169.9 | -172.9 | -101.1 | 0 | 0 | 0 | 110.6 | I544 L545 S555 L559 R560 F561 F587 H590 V591 I594 | I544-F557 HydrophobicContact CB-CD2 4.38Å; I544-F557 HydrophobicContact CG2-CD2 3.3Å; I544-F557 HydrophobicContact CG2-CE2 3.71Å; I544-F557 HydrophobicContact CG2-CG 4.34Å; I544-F557 WeakPolarHBondContact O-CA 3.47Å; I544-F557 PolarHBondContact O-N 3.47Å; L545-F557 HydrophobicContact CD2-CB 4.28Å; L545-F557 HydrophobicContact CD2-CD2 3.63Å; L545-F557 HydrophobicContact CD2-CE2 4.26Å; L545-F557 HydrophobicContact CD2-CG 4.13Å; S555-F557 PolarHBondContact O-N 3.33Å; S555-F557 VanDerWaalsContact O-N 3.12Å; S555-F557 WeakPolarHBondContact OG-CB 3.45Å; F557-L559 PolarHBondContact O-N 3.31Å; F557-R560 PolarHBondContact O-N 3.16Å; F557-F561 HydrophobicContact CD1-CD2 4.48Å; F557-F561 HydrophobicContact CD1-CE2 4.37Å; F557-F561 HydrophobicContact CE1-CD2 4.21Å; F557-F561 AromaticContact CE1-CE2 3.72Å; F557-F561 HydrophobicContact CE1-CE2 3.72Å; F557-F561 HydrophobicContact CE2-CE2 4Å; F557-F561 HydrophobicContact CZ-CD2 4.35Å; F557-F561 AromaticContact CZ-CE2 3.49Å; F557-F561 HydrophobicContact CZ-CE2 3.49Å; F557-F561 VanDerWaalsContact CZ-CE2 3.49Å; F557-F561 HydrophobicContact CZ-CZ 4.29Å; F557-F587 HydrophobicContact CE2-CB 4Å; F557-F587 HydrophobicContact CE2-CG 4.2Å; F557-F587 HydrophobicContact CZ-CB 3.89Å; F557-H590 HydrophobicContact CE1-CB 4.05Å; F557-H590 VanDerWaalsContact CE1-O 3.3Å; F557-H590 WeakPolarHBondContact CE1-O 3.12Å; F557-H590 HydrophobicContact CE2-CB 4.15Å; F557-H590 HydrophobicContact CZ-CB 3.84Å; F557-V591 HydrophobicContact CZ-CG2 4.43Å; F557-I594 HydrophobicContact CD1-CD1 3.32Å; F557-I594 HydrophobicContact CD1-CG1 3.95Å; F557-I594 HydrophobicContact CD1-CG2 4.48Å; F557-I594 HydrophobicContact CE1-CD1 3.35Å; F557-I594 HydrophobicContact CE1-CG1 3.87Å |
| 558 | T | 54.3 | Low | 60.8 | Low | 23 Ų | 23 | 69.8 Ų | 69.8 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 174.6 | -43.9 | 0 | 0 | 0 | 0 | 112.3 | S555 R560 V562 I594 | S555-T558 VanDerWaalsContact O-CB 3.29Å; S555-T558 WeakPolarHBondContact O-CB 3.3Å; S555-T558 PolarHBondContact O-N 2.86Å; S555-T558 PolarHBondContact O-OG1 2.9Å; S555-T558 PolarHBondContact OG-N 3.09Å; S555-T558 VanDerWaalsContact OG-N 3.11Å; S555-T558 PolarHBondContact OG-OG1 3.03Å; T558-R560 PolarHBondContact O-N 2.73Å; T558-R560 VanDerWaalsContact O-N 3.14Å; T558-V562 VanDerWaalsContact O-CG2 3.22Å; T558-V562 WeakPolarHBondContact O-CG2 3.28Å; T558-V562 PolarHBondContact O-N 3.5Å; T558-I594 HydrophobicContact CG2-CG2 4.37Å; T558-I594 WeakPolarHBondContact OG1-CG2 3.3Å |
| 559 | L | 55.6 | Low | 62.9 | Low | 121 Ų | 121 | 68 Ų | 68 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.3 | -21.4 | -175.7 | -145.5 | 101.5 | 0 | 0 | 0 | 113.2 | S555 F557 | S555-L559 PolarHBondContact O-N 3.47Å; F557-L559 PolarHBondContact O-N 3.31Å |
| 560 | R | 66.5 | Low | 65.1 | Low | 38 Ų | 38 | 63.7 Ų | 63.7 | 14% | 0.143 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -91 | -36.1 | -173.8 | -65.8 | 165.3 | -170.3 | -123.5 | -1.8 | 113.3 | L509 I543 I544 A556 F557 T558 V562 E563 I564 | L509-R560 HydrophobicContact CD1-CG 4.21Å; L509-R560 HydrophobicContact CD2-CB 4.05Å; L509-R560 HydrophobicContact CD2-CG 3.71Å; I543-R560 PolarHBondContact O-NH1 3.27Å; I543-R560 PolarHBondContact O-NH2 3.25Å; I544-R560 VanDerWaalsContact CA-NH1 3.35Å; I544-R560 PolarHBondContact O-NE 2.72Å; A556-R560 VanDerWaalsContact O-CD 3.3Å; A556-R560 WeakPolarHBondContact O-CD 3.45Å; A556-R560 VanDerWaalsContact O-CG 3.27Å; A556-R560 WeakPolarHBondContact O-CG 3.21Å; A556-R560 PolarHBondContact O-NE 3.2Å; F557-R560 PolarHBondContact O-N 3.16Å; T558-R560 PolarHBondContact O-N 2.73Å; T558-R560 VanDerWaalsContact O-N 3.14Å; R560-V562 VanDerWaalsContact C-N 3.26Å; R560-E563 WeakPolarHBondContact O-CB 3.31Å; R560-E563 PolarHBondContact O-N 2.77Å; R560-I564 PolarHBondContact O-N 3.11Å |
| 561 | F | 70.5 | Confident | 67 | Low | 5 Ų | 5 | 60.3 Ų | 60.3 | 2% | 0.022 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 167.5 | -86.6 | -87.4 | 0 | 0 | 0 | 111.1 | F557 E563 I564 L565 M580 I583 I584 I594 I598 | F557-F561 HydrophobicContact CD1-CD2 4.48Å; F557-F561 HydrophobicContact CD1-CE2 4.37Å; F557-F561 HydrophobicContact CE1-CD2 4.21Å; F557-F561 AromaticContact CE1-CE2 3.72Å; F557-F561 HydrophobicContact CE1-CE2 3.72Å; F557-F561 HydrophobicContact CE2-CE2 4Å; F557-F561 HydrophobicContact CZ-CD2 4.35Å; F557-F561 AromaticContact CZ-CE2 3.49Å; F557-F561 HydrophobicContact CZ-CE2 3.49Å; F557-F561 VanDerWaalsContact CZ-CE2 3.49Å; F557-F561 HydrophobicContact CZ-CZ 4.29Å; F561-E563 PolarHBondContact O-N 2.88Å; F561-I564 PolarHBondContact O-N 3.28Å; F561-L565 WeakPolarHBondContact O-CB 3.32Å; F561-L565 VanDerWaalsContact O-CG 3.32Å; F561-L565 WeakPolarHBondContact O-CG 3.42Å; F561-L565 PolarHBondContact O-N 3.29Å; F561-M580 HydrophobicContact CD1-SD 3.66Å; F561-M580 HydrophobicContact CE1-SD 4.18Å; F561-I583 HydrophobicContact CE1-CB 4.31Å; F561-I583 HydrophobicContact CE1-CG2 4Å; F561-I583 HydrophobicContact CE2-CG2 3.92Å; F561-I583 HydrophobicContact CZ-CB 4.1Å; F561-I583 HydrophobicContact CZ-CG2 3.35Å; F561-I584 HydrophobicContact CE1-CG1 3.8Å; F561-I584 HydrophobicContact CZ-CG1 4.19Å; F561-I594 HydrophobicContact CD2-CD1 3.86Å; F561-I594 HydrophobicContact CE2-CD1 4.29Å; F561-I594 HydrophobicContact CG-CD1 4.37Å; F561-I598 HydrophobicContact CB-CD1 4.16Å; F561-I598 HydrophobicContact CB-CG1 4.3Å; F561-I598 HydrophobicContact CD1-CD1 3.72Å; F561-I598 HydrophobicContact CD2-CD1 4.35Å; F561-I598 HydrophobicContact CE1-CD1 4.14Å; F561-I598 HydrophobicContact CG-CD1 3.82Å; F561-I598 HydrophobicContact CG-CG1 4.49Å |
| 562 | V | 71.4 | Confident | 69.2 | Low | 45 Ų | 45 | 54.1 Ų | 54.1 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.9 | -39.3 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | T558 R560 L565 E566 | T558-V562 VanDerWaalsContact O-CG2 3.22Å; T558-V562 WeakPolarHBondContact O-CG2 3.28Å; T558-V562 PolarHBondContact O-N 3.5Å; R560-V562 VanDerWaalsContact C-N 3.26Å; V562-L565 PolarHBondContact O-N 3.31Å; V562-E566 VanDerWaalsContact O-CB 3.26Å; V562-E566 WeakPolarHBondContact O-CB 3.45Å; V562-E566 PolarHBondContact O-N 2.98Å |
| 563 | E | 77.2 | Confident | 71.4 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 177.7 | -165.5 | 71.1 | -156.3 | 0 | 0 | 112.1 | K517 R560 F561 L565 E566 M567 | K517-E563 IonicContact NZ-OE1 3.7Å; K517-E563 PolarHBondContact NZ-OE1 3.35Å; R560-E563 WeakPolarHBondContact O-CB 3.31Å; R560-E563 PolarHBondContact O-N 2.77Å; F561-E563 PolarHBondContact O-N 2.88Å; E563-L565 VanDerWaalsContact C-N 3.34Å; E563-E566 PolarHBondContact O-N 2.83Å; E563-M567 VanDerWaalsContact O-CG 3.31Å; E563-M567 WeakPolarHBondContact O-CG 3.5Å; E563-M567 PolarHBondContact O-N 3.42Å |
| 564 | I | 84.6 | Confident | 73.4 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.1 | -39.2 | 177.7 | -58.1 | 174.9 | 0 | 0 | 0 | 110.7 | L508 R560 F561 M567 L568 L576 V579 M580 I583 | L508-I564 HydrophobicContact CD1-CG1 4.39Å; L508-I564 HydrophobicContact CD2-CD1 4.45Å; R560-I564 PolarHBondContact O-N 3.11Å; F561-I564 PolarHBondContact O-N 3.28Å; I564-M567 HydrophobicContact CB-CE 4.28Å; I564-M567 HydrophobicContact CG1-CE 4Å; I564-M567 PolarHBondContact O-N 2.64Å; I564-L568 WeakPolarHBondContact O-CB 3.41Å; I564-L568 PolarHBondContact O-N 3.18Å; I564-L576 HydrophobicContact CG2-CB 4.45Å; I564-L576 HydrophobicContact CG2-CD2 4.37Å; I564-V579 HydrophobicContact CD1-CG1 4.29Å; I564-M580 HydrophobicContact CB-CG 4.42Å; I564-M580 HydrophobicContact CB-SD 4.35Å; I564-M580 HydrophobicContact CG2-CG 3.62Å; I564-M580 HydrophobicContact CG2-SD 4.17Å; I564-I583 HydrophobicContact CD1-CD1 3.5Å; I564-I583 VanDerWaalsContact CD1-CD1 3.5Å |
| 565 | L | 84.7 | Confident | 75.5 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 174.7 | -76.8 | 164.4 | 0 | 0 | 0 | 112.7 | F561 V562 E563 L568 K569 M580 I598 Q601 L602 I605 | F561-L565 WeakPolarHBondContact O-CB 3.32Å; F561-L565 VanDerWaalsContact O-CG 3.32Å; F561-L565 WeakPolarHBondContact O-CG 3.42Å; F561-L565 PolarHBondContact O-N 3.29Å; V562-L565 PolarHBondContact O-N 3.31Å; E563-L565 VanDerWaalsContact C-N 3.34Å; L565-L568 PolarHBondContact O-N 3.27Å; L565-K569 WeakPolarHBondContact O-CB 3.37Å; L565-K569 PolarHBondContact O-N 2.94Å; L565-M580 HydrophobicContact CD1-CE 4.32Å; L565-M580 HydrophobicContact CD2-CE 3.3Å; L565-M580 HydrophobicContact CD2-SD 4.3Å; L565-M580 HydrophobicContact CG-CE 3.68Å; L565-M580 HydrophobicContact CG-SD 4.06Å; L565-I598 HydrophobicContact CD1-CG2 4.3Å; L565-Q601 HydrophobicContact CD1-CB 3.87Å; L565-Q601 HydrophobicContact CD1-CG 4.44Å; L565-Q601 HydrophobicContact CD2-CB 4.27Å; L565-L602 HydrophobicContact CD2-CD2 3.54Å; L565-L602 HydrophobicContact CD2-CG 3.84Å; L565-I605 HydrophobicContact CB-CD1 4.44Å; L565-I605 HydrophobicContact CD2-CD1 3.87Å; L565-I605 WeakPolarHBondContact O-CD1 3.46Å |
| 566 | E | 84.9 | Confident | 77.5 | Confident | 95 Ų | 95 | 36.6 Ų | 36.6 | 44% | 0.444 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.6 | -43 | 176.5 | -170.8 | 163.2 | -156.8 | 0 | 0 | 110.3 | V562 E563 L568 K569 E570 | V562-E566 VanDerWaalsContact O-CB 3.26Å; V562-E566 WeakPolarHBondContact O-CB 3.45Å; V562-E566 PolarHBondContact O-N 2.98Å; E563-E566 PolarHBondContact O-N 2.83Å; E566-L568 PolarHBondContact O-N 3.36Å; E566-K569 WeakPolarHBondContact O-CB 3.35Å; E566-K569 PolarHBondContact O-N 3.42Å; E566-E570 WeakPolarHBondContact O-CG 3.45Å; E566-E570 PolarHBondContact O-N 3.25Å |
| 567 | M | 87.3 | Confident | 79.4 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 171.7 | -71.6 | -170.7 | -63.9 | 0 | 0 | 112.7 | L508 K517 V518 E563 I564 K569 E570 T571 L576 | L508-M567 HydrophobicContact CD1-CE 3.61Å; K517-M567 HydrophobicContact CB-CE 4.29Å; K517-M567 HydrophobicContact CB-SD 3.26Å; K517-M567 WeakPolarHBondContact CB-SD 3.43Å; K517-M567 HydrophobicContact CD-SD 3.93Å; K517-M567 HydrophobicContact CG-SD 4.27Å; V518-M567 HydrophobicContact CG2-SD 4.28Å; E563-M567 VanDerWaalsContact O-CG 3.31Å; E563-M567 WeakPolarHBondContact O-CG 3.5Å; E563-M567 PolarHBondContact O-N 3.42Å; I564-M567 HydrophobicContact CB-CE 4.28Å; I564-M567 HydrophobicContact CG1-CE 4Å; I564-M567 PolarHBondContact O-N 2.64Å; M567-K569 VanDerWaalsContact C-N 3.27Å; M567-K569 PolarHBondContact O-N 2.92Å; M567-E570 PolarHBondContact O-N 3.38Å; M567-T571 WeakPolarHBondContact O-CB 3.41Å; M567-T571 WeakPolarHBondContact O-CG2 3.46Å; M567-T571 PolarHBondContact O-N 3.41Å; M567-T571 PolarHBondContact O-OG1 2.91Å; M567-L576 HydrophobicContact CB-CD1 3.95Å |
| 568 | L | 88.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 175.3 | 176.6 | 65.6 | 0 | 0 | 0 | 110.4 | I564 L565 E566 E572 N573 L576 N577 L602 I605 T622 V626 | I564-L568 WeakPolarHBondContact O-CB 3.41Å; I564-L568 PolarHBondContact O-N 3.18Å; L565-L568 PolarHBondContact O-N 3.27Å; E566-L568 PolarHBondContact O-N 3.36Å; L568-E572 VanDerWaalsContact O-CA 3.26Å; L568-E572 WeakPolarHBondContact O-CA 3.43Å; L568-E572 PolarHBondContact O-N 3.04Å; L568-N573 VanDerWaalsContact CD1-O 3.3Å; L568-N573 WeakPolarHBondContact CD1-O 3.46Å; L568-L576 HydrophobicContact CB-CB 4.39Å; L568-L576 HydrophobicContact CB-CD1 4.25Å; L568-L576 HydrophobicContact CD1-CB 4.11Å; L568-N577 WeakPolarHBondContact CD2-OD1 3.38Å; L568-L602 HydrophobicContact CD2-CD2 4.28Å; L568-I605 HydrophobicContact CD2-CD1 4.11Å; L568-I605 HydrophobicContact CG-CD1 4.46Å; L568-I605 HydrophobicContact CG-CG2 4.5Å; L568-T622 HydrophobicContact CD1-CG2 3.89Å; L568-V626 HydrophobicContact CD2-CG2 3.87Å |
| 569 | K | 86.3 | Confident | 82.8 | Confident | 99 Ų | 99 | 37.3 Ų | 37.3 | 43% | 0.43 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.2 | -173.3 | 172.1 | -176.1 | 152.1 | 0 | 113 | L565 E566 M567 I605 D608 | L565-K569 WeakPolarHBondContact O-CB 3.37Å; L565-K569 PolarHBondContact O-N 2.94Å; E566-K569 WeakPolarHBondContact O-CB 3.35Å; E566-K569 PolarHBondContact O-N 3.42Å; M567-K569 VanDerWaalsContact C-N 3.27Å; M567-K569 PolarHBondContact O-N 2.92Å; K569-I605 HydrophobicContact CB-CD1 4.21Å; K569-I605 HydrophobicContact CB-CG1 4.07Å; K569-I605 HydrophobicContact CD-CG1 4.42Å; K569-I605 HydrophobicContact CG-CG1 4.33Å; K569-D608 WeakPolarHBondContact CE-OD2 3.25Å; K569-D608 IonicContact NZ-OD2 2.91Å; K569-D608 PolarHBondContact NZ-OD2 3.33Å |
| 570 | E | 86.5 | Confident | 84.3 | Confident | 85 Ų | 85 | 31.6 Ų | 31.6 | 40% | 0.397 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -78.6 | -44.1 | -177 | -72.2 | -174.6 | 168.5 | 0 | 0 | 112.9 | Q377 I514 E566 M567 | Q377-E570 HydrophobicContact CG-CB 4.48Å; I514-E570 VanDerWaalsContact CD1-OE2 3.27Å; I514-E570 WeakPolarHBondContact CD1-OE2 3.36Å; E566-E570 WeakPolarHBondContact O-CG 3.45Å; E566-E570 PolarHBondContact O-N 3.25Å; M567-E570 PolarHBondContact O-N 3.38Å |
| 571 | T | 85 | Confident | 85.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -88.4 | -22.1 | -174.8 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | V380 R381 I514 V518 M567 N573 | V380-T571 HydrophobicContact CB-CG2 4.39Å; V380-T571 HydrophobicContact CG1-CG2 4.29Å; V380-T571 HydrophobicContact CG2-CG2 4.49Å; R381-T571 WeakPolarHBondContact CG-O 3.2Å; R381-T571 PolarHBondContact NE-O 2.69Å; I514-T571 HydrophobicContact CG2-CG2 3.5Å; I514-T571 VanDerWaalsContact CG2-CG2 3.5Å; V518-T571 HydrophobicContact CG2-CG2 4.4Å; M567-T571 WeakPolarHBondContact O-CB 3.41Å; M567-T571 WeakPolarHBondContact O-CG2 3.46Å; M567-T571 PolarHBondContact O-N 3.41Å; M567-T571 PolarHBondContact O-OG1 2.91Å; T571-N573 PolarHBondContact O-N 3.13Å; T571-N573 WeakPolarHBondContact OG1-CB 3.44Å; T571-N573 PolarHBondContact OG1-N 3.02Å |
| 572 | E | 86.2 | Confident | 86.3 | Confident | 43 Ų | 43 | 31.4 Ų | 31.4 | 20% | 0.201 | 16% | 0.16 | C | C | . | . | trans | 52.9 | 25.9 | -169.6 | -55.1 | -179.6 | 158 | 0 | 0 | 112.4 | R381 L568 L609 K619 T622 | R381-E572 IonicContact CZ-OE2 3.02Å; R381-E572 IonicContact NH1-OE2 2.69Å; R381-E572 VanDerWaalsContact NH2-CG 3.26Å; R381-E572 IonicContact NH2-OE1 2.66Å; R381-E572 IonicContact NH2-OE2 3.26Å; R381-E572 PolarHBondContact NH2-OE2 3.18Å; L568-E572 VanDerWaalsContact O-CA 3.26Å; L568-E572 WeakPolarHBondContact O-CA 3.43Å; L568-E572 PolarHBondContact O-N 3.04Å; E572-L609 HydrophobicContact CB-CD2 4.37Å; E572-L609 HydrophobicContact CG-CD2 3.85Å; E572-K619 WeakPolarHBondContact OE1-CE 3.39Å; E572-K619 IonicContact OE1-NZ 2.79Å; E572-K619 PolarHBondContact OE1-NZ 3.33Å; E572-K619 WeakPolarHBondContact OE2-CE 3.34Å; E572-K619 IonicContact OE2-NZ 3.84Å; E572-T622 WeakPolarHBondContact O-CG2 3.26Å; E572-T622 PolarHBondContact O-OG1 3Å | ||
| 573 | N | 86.4 | Confident | 86.9 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 6% | 0.059 | 15% | 0.15 | C | C | . | . | trans | -81.2 | 117.3 | -179.8 | -176.6 | -23.1 | 0 | 0 | 0 | 111.2 | V380 Y384 L568 T571 E575 L576 | V380-N573 HydrophobicContact CG1-CB 4.1Å; V380-N573 VanDerWaalsContact CG1-ND2 3.28Å; V380-N573 WeakPolarHBondContact CG1-ND2 3.32Å; Y384-N573 VanDerWaalsContact CD2-ND2 3.3Å; Y384-N573 WeakPolarHBondContact CD2-ND2 3.18Å; L568-N573 VanDerWaalsContact CD1-O 3.3Å; L568-N573 WeakPolarHBondContact CD1-O 3.46Å; T571-N573 PolarHBondContact O-N 3.13Å; T571-N573 WeakPolarHBondContact OG1-CB 3.44Å; T571-N573 PolarHBondContact OG1-N 3.02Å; N573-E575 VanDerWaalsContact C-N 3.35Å; N573-E575 PolarHBondContact O-N 2.8Å; N573-E575 WeakPolarHBondContact OD1-CB 3.46Å; N573-E575 PolarHBondContact OD1-N 2.93Å; N573-L576 HydrophobicContact CB-CD1 4.22Å; N573-L576 HydrophobicContact CB-CG 4.44Å; N573-L576 WeakPolarHBondContact O-CB 3.36Å; N573-L576 PolarHBondContact O-N 3.4Å | ||
| 574 | D | 87.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 27.7 Ų | 27.7 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.9 | -177.2 | -175 | 53.3 | 0 | 0 | 0 | 114.4 | L576 N577 V621 G625 | D574-L576 PolarHBondContact O-N 2.91Å; D574-N577 WeakPolarHBondContact O-CB 3.41Å; D574-N577 PolarHBondContact O-N 3.26Å; D574-N577 PolarHBondContact O-ND2 3.3Å; D574-N577 PolarHBondContact OD1-ND2 3.08Å; D574-V621 HydrophobicContact CB-CG1 4.22Å; D574-G625 WeakPolarHBondContact OD1-CA 3.42Å |
| 575 | E | 88.8 | Confident | 87.3 | Confident | 85 Ų | 85 | 30.7 Ų | 30.7 | 40% | 0.397 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.1 | -25.1 | 179.6 | -71.3 | -73.6 | -175.1 | 0 | 0 | 112.6 | Y384 M522 N573 N577 S578 V579 | Y384-E575 HydrophobicContact CD1-CG 3.94Å; Y384-E575 HydrophobicContact CE1-CG 4.44Å; M522-E575 HydrophobicContact CE-CB 3.56Å; M522-E575 HydrophobicContact SD-CB 3.78Å; N573-E575 VanDerWaalsContact C-N 3.35Å; N573-E575 PolarHBondContact O-N 2.8Å; N573-E575 WeakPolarHBondContact OD1-CB 3.46Å; N573-E575 PolarHBondContact OD1-N 2.93Å; E575-N577 PolarHBondContact O-N 2.73Å; E575-S578 WeakPolarHBondContact O-CB 3.37Å; E575-S578 PolarHBondContact O-N 2.85Å; E575-S578 VanDerWaalsContact O-N 3.15Å; E575-V579 PolarHBondContact O-N 3.02Å; E575-V579 VanDerWaalsContact O-N 3.14Å |
| 576 | L | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -24.8 | 176.3 | -66.5 | 172.1 | 0 | 0 | 0 | 112.8 | A521 M522 I564 M567 L568 N573 D574 V579 M580 | A521-L576 HydrophobicContact CB-CD2 3.91Å; M522-L576 HydrophobicContact CE-CD2 3.63Å; M522-L576 HydrophobicContact CE-CG 4.09Å; I564-L576 HydrophobicContact CG2-CB 4.45Å; I564-L576 HydrophobicContact CG2-CD2 4.37Å; M567-L576 HydrophobicContact CB-CD1 3.95Å; L568-L576 HydrophobicContact CB-CB 4.39Å; L568-L576 HydrophobicContact CB-CD1 4.25Å; L568-L576 HydrophobicContact CD1-CB 4.11Å; N573-L576 HydrophobicContact CB-CD1 4.22Å; N573-L576 HydrophobicContact CB-CG 4.44Å; N573-L576 WeakPolarHBondContact O-CB 3.36Å; N573-L576 PolarHBondContact O-N 3.4Å; D574-L576 PolarHBondContact O-N 2.91Å; L576-V579 PolarHBondContact O-N 3.08Å; L576-M580 WeakPolarHBondContact O-CG 3.45Å; L576-M580 PolarHBondContact O-N 3.36Å |
| 577 | N | 90.3 | Very high | 87 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 171.9 | -70.4 | -51.8 | 0 | 0 | 0 | 111.1 | L568 D574 E575 V579 M580 S581 T622 G625 V626 T629 | L568-N577 WeakPolarHBondContact CD2-OD1 3.38Å; D574-N577 WeakPolarHBondContact O-CB 3.41Å; D574-N577 PolarHBondContact O-N 3.26Å; D574-N577 PolarHBondContact O-ND2 3.3Å; D574-N577 PolarHBondContact OD1-ND2 3.08Å; E575-N577 PolarHBondContact O-N 2.73Å; N577-V579 VanDerWaalsContact C-N 3.34Å; N577-V579 PolarHBondContact O-N 2.96Å; N577-M580 WeakPolarHBondContact O-CB 3.34Å; N577-M580 PolarHBondContact O-N 3.21Å; N577-S581 WeakPolarHBondContact O-CB 3.41Å; N577-S581 PolarHBondContact O-N 2.95Å; N577-S581 PolarHBondContact O-OG 3.43Å; N577-T622 PolarHBondContact ND2-O 2.92Å; N577-G625 WeakPolarHBondContact CB-O 3.34Å; N577-G625 VanDerWaalsContact CG-O 3.3Å; N577-G625 VanDerWaalsContact ND2-C 3.26Å; N577-G625 WeakPolarHBondContact ND2-CA 3.36Å; N577-G625 PolarHBondContact OD1-O 3.3Å; N577-V626 PolarHBondContact ND2-N 2.95Å; N577-V626 WeakPolarHBondContact OD1-CA 3.36Å; N577-V626 PolarHBondContact OD1-N 3.24Å; N577-T629 WeakPolarHBondContact CA-OG1 3.12Å; N577-T629 VanDerWaalsContact CB-OG1 3.24Å; N577-T629 WeakPolarHBondContact CB-OG1 3.48Å; N577-T629 PolarHBondContact O-OG1 3.48Å; N577-T629 PolarHBondContact OD1-OG1 3.43Å |
| 578 | S | 91 | Very high | 86.6 | Confident | 50 Ų | 50 | 32.3 Ų | 32.3 | 35% | 0.35 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 174.9 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | Q525 E575 C582 | Q525-S578 VanDerWaalsContact NE2-C 3.33Å; Q525-S578 VanDerWaalsContact NE2-CB 3.29Å; Q525-S578 PolarHBondContact NE2-O 2.8Å; E575-S578 WeakPolarHBondContact O-CB 3.37Å; E575-S578 PolarHBondContact O-N 2.85Å; E575-S578 VanDerWaalsContact O-N 3.15Å; S578-C582 WeakPolarHBondContact O-CB 3.26Å; S578-C582 PolarHBondContact O-N 2.98Å |
| 579 | V | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 172.5 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | A521 M522 Q525 I564 E575 L576 N577 S581 C582 I583 | A521-V579 HydrophobicContact CB-CG1 4.17Å; A521-V579 HydrophobicContact CB-CG2 4.32Å; M522-V579 HydrophobicContact CE-CG2 3.42Å; M522-V579 VanDerWaalsContact CE-CG2 3.42Å; M522-V579 HydrophobicContact SD-CG2 3.69Å; Q525-V579 HydrophobicContact CB-CB 4.39Å; Q525-V579 HydrophobicContact CB-CG1 4.33Å; Q525-V579 HydrophobicContact CB-CG2 3.95Å; Q525-V579 HydrophobicContact CG-CG2 4.4Å; I564-V579 HydrophobicContact CD1-CG1 4.29Å; E575-V579 PolarHBondContact O-N 3.02Å; E575-V579 VanDerWaalsContact O-N 3.14Å; L576-V579 PolarHBondContact O-N 3.08Å; N577-V579 VanDerWaalsContact C-N 3.34Å; N577-V579 PolarHBondContact O-N 2.96Å; V579-S581 PolarHBondContact O-N 3.38Å; V579-C582 PolarHBondContact O-N 3.38Å; V579-I583 HydrophobicContact CG1-CD1 3.81Å; V579-I583 HydrophobicContact CG1-CG1 4.42Å; V579-I583 VanDerWaalsContact O-CG1 3.32Å; V579-I583 WeakPolarHBondContact O-CG1 3.28Å; V579-I583 PolarHBondContact O-N 2.87Å |
| 580 | M | 87.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -49.2 | 179.3 | -80.9 | -103.2 | -73 | 0 | 0 | 111.8 | F561 I564 L565 L576 N577 C582 I583 I584 I598 L602 T629 | F561-M580 HydrophobicContact CD1-SD 3.66Å; F561-M580 HydrophobicContact CE1-SD 4.18Å; I564-M580 HydrophobicContact CB-CG 4.42Å; I564-M580 HydrophobicContact CB-SD 4.35Å; I564-M580 HydrophobicContact CG2-CG 3.62Å; I564-M580 HydrophobicContact CG2-SD 4.17Å; L565-M580 HydrophobicContact CD1-CE 4.32Å; L565-M580 HydrophobicContact CD2-CE 3.3Å; L565-M580 HydrophobicContact CD2-SD 4.3Å; L565-M580 HydrophobicContact CG-CE 3.68Å; L565-M580 HydrophobicContact CG-SD 4.06Å; L576-M580 WeakPolarHBondContact O-CG 3.45Å; L576-M580 PolarHBondContact O-N 3.36Å; N577-M580 WeakPolarHBondContact O-CB 3.34Å; N577-M580 PolarHBondContact O-N 3.21Å; M580-C582 VanDerWaalsContact C-N 3.31Å; M580-C582 PolarHBondContact O-N 3.36Å; M580-I583 PolarHBondContact O-N 3.03Å; M580-I583 VanDerWaalsContact O-N 3.13Å; M580-I584 WeakPolarHBondContact O-CB 3.39Å; M580-I584 VanDerWaalsContact O-CG1 3.26Å; M580-I584 WeakPolarHBondContact O-CG1 3.4Å; M580-I584 PolarHBondContact O-N 3.19Å; M580-I598 HydrophobicContact CE-CG2 4.13Å; M580-L602 HydrophobicContact CE-CD1 4.18Å; M580-L602 HydrophobicContact CE-CD2 3.75Å; M580-L602 HydrophobicContact CE-CG 4.22Å; M580-T629 HydrophobicContact CB-CG2 3.55Å; M580-T629 HydrophobicContact CE-CG2 3.72Å; M580-T629 HydrophobicContact CG-CG2 4.42Å |
| 581 | S | 89.4 | Confident | 85.1 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | -180 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | N577 V579 I584 S585 S632 | N577-S581 WeakPolarHBondContact O-CB 3.41Å; N577-S581 PolarHBondContact O-N 2.95Å; N577-S581 PolarHBondContact O-OG 3.43Å; V579-S581 PolarHBondContact O-N 3.38Å; S581-I584 PolarHBondContact O-N 3.43Å; S581-S585 WeakPolarHBondContact O-CB 3.18Å; S581-S585 PolarHBondContact O-N 3.28Å; S581-S585 PolarHBondContact O-OG 2.88Å; S581-S632 WeakPolarHBondContact CB-OG 3.28Å; S581-S632 PolarHBondContact OG-OG 2.96Å |
| 582 | C | 88.7 | Confident | 84.7 | Confident | 19 Ų | 19 | 35.3 Ų | 35.3 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 173.6 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | Q525 S578 V579 M580 S585 T586 | Q525-C582 HydrophobicContact CG-CB 3.8Å; S578-C582 WeakPolarHBondContact O-CB 3.26Å; S578-C582 PolarHBondContact O-N 2.98Å; V579-C582 PolarHBondContact O-N 3.38Å; M580-C582 VanDerWaalsContact C-N 3.31Å; M580-C582 PolarHBondContact O-N 3.36Å; C582-S585 PolarHBondContact O-OG 2.99Å; C582-T586 VanDerWaalsContact O-CB 3.23Å; C582-T586 WeakPolarHBondContact O-CB 3.19Å; C582-T586 PolarHBondContact O-N 3.49Å; C582-T586 VanDerWaalsContact O-N 3.07Å; C582-T586 PolarHBondContact O-OG1 3.38Å |
| 583 | I | 84.2 | Confident | 84.1 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | 177.8 | -61.9 | 169.9 | 0 | 0 | 0 | 110.3 | L524 L528 F561 I564 V579 M580 T586 F587 | L524-I583 HydrophobicContact CD2-CD1 4.19Å; L528-I583 HydrophobicContact CD1-CG1 4.04Å; F561-I583 HydrophobicContact CE1-CB 4.31Å; F561-I583 HydrophobicContact CE1-CG2 4Å; F561-I583 HydrophobicContact CE2-CG2 3.92Å; F561-I583 HydrophobicContact CZ-CB 4.1Å; F561-I583 HydrophobicContact CZ-CG2 3.35Å; I564-I583 HydrophobicContact CD1-CD1 3.5Å; I564-I583 VanDerWaalsContact CD1-CD1 3.5Å; V579-I583 HydrophobicContact CG1-CD1 3.81Å; V579-I583 HydrophobicContact CG1-CG1 4.42Å; V579-I583 VanDerWaalsContact O-CG1 3.32Å; V579-I583 WeakPolarHBondContact O-CG1 3.28Å; V579-I583 PolarHBondContact O-N 2.87Å; M580-I583 PolarHBondContact O-N 3.03Å; M580-I583 VanDerWaalsContact O-N 3.13Å; I583-T586 PolarHBondContact O-N 2.86Å; I583-F587 HydrophobicContact CG2-CD2 3.75Å; I583-F587 HydrophobicContact CG2-CE2 4.21Å; I583-F587 WeakPolarHBondContact O-CD2 2.91Å; I583-F587 PolarHBondContact O-N 3.39Å |
| 584 | I | 85 | Confident | 83.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.3 | -54.4 | 177.8 | -72.9 | 166.1 | 0 | 0 | 0 | 110.4 | F561 M580 S581 T586 F587 E588 V591 T629 S632 L633 A636 | F561-I584 HydrophobicContact CE1-CG1 3.8Å; F561-I584 HydrophobicContact CZ-CG1 4.19Å; M580-I584 WeakPolarHBondContact O-CB 3.39Å; M580-I584 VanDerWaalsContact O-CG1 3.26Å; M580-I584 WeakPolarHBondContact O-CG1 3.4Å; M580-I584 PolarHBondContact O-N 3.19Å; S581-I584 PolarHBondContact O-N 3.43Å; I584-T586 PolarHBondContact O-N 3.18Å; I584-F587 CarbonylContact O-C 3.21Å; I584-F587 PolarHBondContact O-N 3.15Å; I584-E588 PolarHBondContact O-N 3.46Å; I584-E588 VanDerWaalsContact O-N 3.1Å; I584-V591 HydrophobicContact CG2-CG1 4.39Å; I584-V591 HydrophobicContact CG2-CG2 4.33Å; I584-T629 HydrophobicContact CD1-CG2 4.05Å; I584-S632 WeakPolarHBondContact CG2-O 3.34Å; I584-L633 HydrophobicContact CD1-CB 4.14Å; I584-L633 HydrophobicContact CD1-CD1 4.13Å; I584-L633 HydrophobicContact CG1-CD1 4.44Å; I584-L633 HydrophobicContact CG2-CD1 4.5Å; I584-A636 HydrophobicContact CG2-CB 3.47Å; I584-A636 VanDerWaalsContact CG2-CB 3.47Å |
| 585 | S | 84.4 | Confident | 83.1 | Confident | 67 Ų | 67 | 36.3 Ų | 36.3 | 47% | 0.469 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -26.7 | 178.2 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | S581 C582 | S581-S585 WeakPolarHBondContact O-CB 3.18Å; S581-S585 PolarHBondContact O-N 3.28Å; S581-S585 PolarHBondContact O-OG 2.88Å; C582-S585 PolarHBondContact O-OG 2.99Å |
| 586 | T | 83.1 | Confident | 82.6 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -79 | -31 | 177.7 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | L528 L537 C582 I583 I584 | L528-T586 HydrophobicContact CD1-CG2 4.43Å; L528-T586 HydrophobicContact CD2-CG2 3.98Å; L537-T586 HydrophobicContact CD2-CG2 3.64Å; C582-T586 VanDerWaalsContact O-CB 3.23Å; C582-T586 WeakPolarHBondContact O-CB 3.19Å; C582-T586 PolarHBondContact O-N 3.49Å; C582-T586 VanDerWaalsContact O-N 3.07Å; C582-T586 PolarHBondContact O-OG1 3.38Å; I583-T586 PolarHBondContact O-N 2.86Å; I584-T586 PolarHBondContact O-N 3.18Å |
| 587 | F | 79.9 | Confident | 82 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -117.9 | 30.1 | -174.8 | -65 | -77.5 | 0 | 0 | 0 | 113.2 | L537 L540 K541 I544 F557 I583 I584 E589 H590 V591 | L537-F587 HydrophobicContact CD2-CD1 4.3Å; L537-F587 HydrophobicContact CD2-CE1 3.53Å; L537-F587 HydrophobicContact CD2-CZ 3.67Å; L540-F587 HydrophobicContact CB-CZ 3.91Å; L540-F587 HydrophobicContact CD1-CZ 4.07Å; K541-F587 HydrophobicContact CG-CE1 4.2Å; I544-F587 HydrophobicContact CD1-CD2 4.39Å; I544-F587 HydrophobicContact CD1-CE1 4.13Å; I544-F587 HydrophobicContact CD1-CE2 3.54Å; I544-F587 HydrophobicContact CD1-CZ 3.4Å; I544-F587 VanDerWaalsContact CD1-CZ 3.4Å; F557-F587 HydrophobicContact CE2-CB 4Å; F557-F587 HydrophobicContact CE2-CG 4.2Å; F557-F587 HydrophobicContact CZ-CB 3.89Å; I583-F587 HydrophobicContact CG2-CD2 3.75Å; I583-F587 HydrophobicContact CG2-CE2 4.21Å; I583-F587 WeakPolarHBondContact O-CD2 2.91Å; I583-F587 PolarHBondContact O-N 3.39Å; I584-F587 CarbonylContact O-C 3.21Å; I584-F587 PolarHBondContact O-N 3.15Å; F587-E589 VanDerWaalsContact C-N 3.29Å; F587-E589 PolarHBondContact O-N 2.96Å; F587-E589 VanDerWaalsContact O-N 3.13Å; F587-H590 WeakPolarHBondContact O-CA 3.37Å; F587-H590 PolarHBondContact O-N 2.99Å; F587-V591 WeakPolarHBondContact O-CG2 3.48Å; F587-V591 PolarHBondContact O-N 3Å |
| 588 | E | 79.7 | Confident | 81.6 | Confident | 107 Ų | 107 | 37.6 Ų | 37.6 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -41.3 | -50 | -177.4 | -176.2 | 173.2 | -175.4 | 0 | 0 | 113.7 | I584 H590 V591 A636 | I584-E588 PolarHBondContact O-N 3.46Å; I584-E588 VanDerWaalsContact O-N 3.1Å; E588-H590 PolarHBondContact O-N 3.19Å; E588-V591 PolarHBondContact O-N 3.23Å; E588-A636 HydrophobicContact CB-CB 4.33Å; E588-A636 HydrophobicContact CG-CB 3.9Å; E588-A636 WeakPolarHBondContact CG-O 3.03Å |
| 589 | E | 77.5 | Confident | 81.1 | Confident | 159 Ų | 159 | 35.3 Ų | 35.3 | 74% | 0.743 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -55.1 | -20.3 | 178.3 | -59.5 | 177.8 | 168.1 | 0 | 0 | 115 | K541 F587 | K541-E589 IonicContact NZ-OE2 3.06Å; F587-E589 VanDerWaalsContact C-N 3.29Å; F587-E589 PolarHBondContact O-N 2.96Å; F587-E589 VanDerWaalsContact O-N 3.13Å |
| 590 | H | 74.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -112.2 | -8.1 | -176.6 | -59.2 | -45.6 | 0 | 0 | 0 | 113.2 | L545 F557 F587 E588 | L545-H590 HydrophobicContact CD2-CB 4.21Å; F557-H590 HydrophobicContact CE1-CB 4.05Å; F557-H590 VanDerWaalsContact CE1-O 3.3Å; F557-H590 WeakPolarHBondContact CE1-O 3.12Å; F557-H590 HydrophobicContact CE2-CB 4.15Å; F557-H590 HydrophobicContact CZ-CB 3.84Å; F587-H590 WeakPolarHBondContact O-CA 3.37Å; F587-H590 PolarHBondContact O-N 2.99Å; E588-H590 PolarHBondContact O-N 3.19Å |
| 591 | V | 77.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.2 | -38.8 | -176.4 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | F557 I584 F587 E588 I594 A595 L633 A636 | F557-V591 HydrophobicContact CZ-CG2 4.43Å; I584-V591 HydrophobicContact CG2-CG1 4.39Å; I584-V591 HydrophobicContact CG2-CG2 4.33Å; F587-V591 WeakPolarHBondContact O-CG2 3.48Å; F587-V591 PolarHBondContact O-N 3Å; E588-V591 PolarHBondContact O-N 3.23Å; V591-I594 VanDerWaalsContact O-CG1 3.31Å; V591-I594 WeakPolarHBondContact O-CG1 3.46Å; V591-I594 PolarHBondContact O-N 2.94Å; V591-A595 HydrophobicContact CG1-CB 4.31Å; V591-A595 PolarHBondContact O-N 3.31Å; V591-L633 HydrophobicContact CG1-CD1 3.35Å; V591-A636 HydrophobicContact CG1-CB 4.39Å |
| 592 | G | 75 | Confident | 80.3 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -44.3 | -56.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I594 A595 | G592-I594 PolarHBondContact O-N 3.1Å; G592-A595 PolarHBondContact O-N 2.85Å |
| 593 | P | 73.7 | Confident | 79.9 | Confident | 114 Ų | 114 | 40.8 Ų | 40.8 | 74% | 0.74 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.1 | -18.6 | -177.4 | -25.1 | 34.8 | 0 | 0 | 0 | 115.8 | ||
| 594 | I | 75.7 | Confident | 79.9 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -114.9 | -5.9 | -177.2 | 67.7 | 155 | 0 | 0 | 0 | 113.1 | F557 T558 F561 V591 G592 V596 D597 I598 | F557-I594 HydrophobicContact CD1-CD1 3.32Å; F557-I594 HydrophobicContact CD1-CG1 3.95Å; F557-I594 HydrophobicContact CD1-CG2 4.48Å; F557-I594 HydrophobicContact CE1-CD1 3.35Å; F557-I594 HydrophobicContact CE1-CG1 3.87Å; T558-I594 HydrophobicContact CG2-CG2 4.37Å; T558-I594 WeakPolarHBondContact OG1-CG2 3.3Å; F561-I594 HydrophobicContact CD2-CD1 3.86Å; F561-I594 HydrophobicContact CE2-CD1 4.29Å; F561-I594 HydrophobicContact CG-CD1 4.37Å; V591-I594 VanDerWaalsContact O-CG1 3.31Å; V591-I594 WeakPolarHBondContact O-CG1 3.46Å; V591-I594 PolarHBondContact O-N 2.94Å; G592-I594 PolarHBondContact O-N 3.1Å; I594-V596 PolarHBondContact O-N 3.16Å; I594-D597 PolarHBondContact O-N 3.39Å; I594-I598 HydrophobicContact CD1-CD1 3.55Å; I594-I598 HydrophobicContact CD1-CG1 4.18Å; I594-I598 HydrophobicContact CG1-CD1 3.97Å; I594-I598 PolarHBondContact O-N 2.94Å; I594-I598 VanDerWaalsContact O-N 3.13Å |
| 595 | A | 78.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -39.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V591 G592 D597 I598 A599 L633 A637 | V591-A595 HydrophobicContact CG1-CB 4.31Å; V591-A595 PolarHBondContact O-N 3.31Å; G592-A595 PolarHBondContact O-N 2.85Å; A595-D597 VanDerWaalsContact C-N 3.29Å; A595-D597 PolarHBondContact O-N 2.84Å; A595-I598 PolarHBondContact O-N 3.45Å; A595-A599 VanDerWaalsContact O-CB 3.26Å; A595-A599 WeakPolarHBondContact O-CB 3.49Å; A595-A599 PolarHBondContact O-N 3.43Å; A595-L633 HydrophobicContact CB-CD1 3.93Å; A595-L633 HydrophobicContact CB-CG 4.25Å; A595-A637 HydrophobicContact CB-CB 4.17Å |
| 596 | V | 77.5 | Confident | 79.9 | Confident | 41 Ų | 41 | 39.8 Ų | 39.8 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -40.2 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | I594 K600 P646 | I594-V596 PolarHBondContact O-N 3.16Å; V596-K600 HydrophobicContact CG1-CD 4.47Å; V596-K600 VanDerWaalsContact O-CG 3.28Å; V596-K600 WeakPolarHBondContact O-CG 3.42Å; V596-K600 PolarHBondContact O-N 3.22Å; V596-K600 VanDerWaalsContact O-N 3.11Å; V596-P646 HydrophobicContact CG1-CG 4.23Å |
| 597 | D | 77.7 | Confident | 79.9 | Confident | 72 Ų | 72 | 40 Ų | 40 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -80.5 | -31.9 | -176.3 | -70.1 | -26.7 | 0 | 0 | 0 | 112.1 | I594 A595 K600 Q601 | I594-D597 PolarHBondContact O-N 3.39Å; A595-D597 VanDerWaalsContact C-N 3.29Å; A595-D597 PolarHBondContact O-N 2.84Å; D597-K600 IonicContact OD1-NZ 3.37Å; D597-Q601 WeakPolarHBondContact O-CG 3.38Å; D597-Q601 PolarHBondContact O-N 2.71Å; D597-Q601 PolarHBondContact O-NE2 3.38Å; D597-Q601 VanDerWaalsContact O-NE2 3.16Å |
| 598 | I | 81.1 | Confident | 80 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -50.2 | 169.8 | -64.2 | 175.9 | 0 | 0 | 0 | 109.4 | F561 L565 M580 I594 A595 K600 Q601 L602 L633 | F561-I598 HydrophobicContact CB-CD1 4.16Å; F561-I598 HydrophobicContact CB-CG1 4.3Å; F561-I598 HydrophobicContact CD1-CD1 3.72Å; F561-I598 HydrophobicContact CD2-CD1 4.35Å; F561-I598 HydrophobicContact CE1-CD1 4.14Å; F561-I598 HydrophobicContact CG-CD1 3.82Å; F561-I598 HydrophobicContact CG-CG1 4.49Å; L565-I598 HydrophobicContact CD1-CG2 4.3Å; M580-I598 HydrophobicContact CE-CG2 4.13Å; I594-I598 HydrophobicContact CD1-CD1 3.55Å; I594-I598 HydrophobicContact CD1-CG1 4.18Å; I594-I598 HydrophobicContact CG1-CD1 3.97Å; I594-I598 PolarHBondContact O-N 2.94Å; I594-I598 VanDerWaalsContact O-N 3.13Å; A595-I598 PolarHBondContact O-N 3.45Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 2.95Å; I598-Q601 PolarHBondContact O-N 3.46Å; I598-L602 HydrophobicContact CG2-CD1 3.72Å; I598-L602 HydrophobicContact CG2-CG 4.22Å; I598-L602 PolarHBondContact O-N 3.26Å; I598-L633 HydrophobicContact CB-CD2 3.95Å; I598-L633 HydrophobicContact CD1-CD1 4.3Å; I598-L633 HydrophobicContact CG2-CD1 4.41Å; I598-L633 HydrophobicContact CG2-CD2 3.75Å |
| 599 | A | 81.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -41.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A595 Q601 L602 A603 L630 L633 S643 I644 | A595-A599 VanDerWaalsContact O-CB 3.26Å; A595-A599 WeakPolarHBondContact O-CB 3.49Å; A595-A599 PolarHBondContact O-N 3.43Å; A599-Q601 VanDerWaalsContact C-N 3.32Å; A599-Q601 PolarHBondContact O-N 3.17Å; A599-L602 PolarHBondContact O-N 3.31Å; A599-A603 WeakPolarHBondContact O-CB 3.36Å; A599-A603 PolarHBondContact O-N 3.08Å; A599-L630 HydrophobicContact CB-CD2 4.04Å; A599-L633 HydrophobicContact CB-CD2 3.91Å; A599-S643 WeakPolarHBondContact CB-O 3.35Å; A599-I644 HydrophobicContact CB-CG1 4.16Å |
| 600 | K | 79.9 | Confident | 80.2 | Confident | 95 Ų | 95 | 31.1 Ų | 31.1 | 41% | 0.413 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 174.4 | -76.9 | 171 | -169.6 | 157.5 | 0 | 113.5 | V596 D597 I598 A603 S604 P646 | V596-K600 HydrophobicContact CG1-CD 4.47Å; V596-K600 VanDerWaalsContact O-CG 3.28Å; V596-K600 WeakPolarHBondContact O-CG 3.42Å; V596-K600 PolarHBondContact O-N 3.22Å; V596-K600 VanDerWaalsContact O-N 3.11Å; D597-K600 IonicContact OD1-NZ 3.37Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 2.95Å; K600-A603 WeakPolarHBondContact O-CB 3.02Å; K600-S604 PolarHBondContact O-N 3.15Å; K600-S604 VanDerWaalsContact O-N 3.08Å; K600-P646 HydrophobicContact CG-CB 3.78Å; K600-P646 HydrophobicContact CG-CG 4.09Å |
| 601 | Q | 82.7 | Confident | 80.3 | Confident | 59 Ų | 59 | 32.4 Ų | 32.4 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -73.5 | -45.8 | 178.4 | -77.3 | 174.6 | 71.9 | 0 | 0 | 111 | L565 D597 I598 A599 A603 S604 I605 | L565-Q601 HydrophobicContact CD1-CB 3.87Å; L565-Q601 HydrophobicContact CD1-CG 4.44Å; L565-Q601 HydrophobicContact CD2-CB 4.27Å; D597-Q601 WeakPolarHBondContact O-CG 3.38Å; D597-Q601 PolarHBondContact O-N 2.71Å; D597-Q601 PolarHBondContact O-NE2 3.38Å; D597-Q601 VanDerWaalsContact O-NE2 3.16Å; I598-Q601 PolarHBondContact O-N 3.46Å; A599-Q601 VanDerWaalsContact C-N 3.32Å; A599-Q601 PolarHBondContact O-N 3.17Å; Q601-A603 VanDerWaalsContact C-N 3.28Å; Q601-A603 PolarHBondContact O-N 2.94Å; Q601-S604 WeakPolarHBondContact O-CB 3.49Å; Q601-S604 PolarHBondContact O-N 3.26Å; Q601-S604 VanDerWaalsContact O-N 3.09Å; Q601-I605 VanDerWaalsContact O-CG1 3.3Å; Q601-I605 WeakPolarHBondContact O-CG1 3.39Å; Q601-I605 PolarHBondContact O-N 2.73Å |
| 602 | L | 86.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | 173 | -71.2 | 172 | 0 | 0 | 0 | 111.3 | L565 L568 M580 I598 A599 S604 I605 F606 V626 T629 L630 | L565-L602 HydrophobicContact CD2-CD2 3.54Å; L565-L602 HydrophobicContact CD2-CG 3.84Å; L568-L602 HydrophobicContact CD2-CD2 4.28Å; M580-L602 HydrophobicContact CE-CD1 4.18Å; M580-L602 HydrophobicContact CE-CD2 3.75Å; M580-L602 HydrophobicContact CE-CG 4.22Å; I598-L602 HydrophobicContact CG2-CD1 3.72Å; I598-L602 HydrophobicContact CG2-CG 4.22Å; I598-L602 PolarHBondContact O-N 3.26Å; A599-L602 PolarHBondContact O-N 3.31Å; L602-S604 PolarHBondContact O-N 3.11Å; L602-I605 PolarHBondContact O-N 2.85Å; L602-F606 WeakPolarHBondContact O-CB 3.36Å; L602-F606 PolarHBondContact O-N 3.43Å; L602-V626 HydrophobicContact CB-CG1 4.01Å; L602-V626 HydrophobicContact CD2-CG1 3.99Å; L602-V626 HydrophobicContact CD2-CG2 4.48Å; L602-V626 WeakPolarHBondContact O-CG1 3.42Å; L602-T629 HydrophobicContact CD1-CG2 3.95Å; L602-T629 HydrophobicContact CD2-CG2 4.29Å; L602-L630 HydrophobicContact CB-CD1 4.27Å; L602-L630 HydrophobicContact CB-CD2 3.72Å; L602-L630 HydrophobicContact CB-CG 3.85Å; L602-L630 HydrophobicContact CD1-CD2 3.68Å; L602-L630 HydrophobicContact CD1-CG 3.82Å; L602-L630 HydrophobicContact CG-CD2 4.35Å; L602-L630 HydrophobicContact CG-CG 4.45Å |
| 603 | A | 81.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.3 | -47.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A599 K600 Q601 F606 A607 F647 | A599-A603 WeakPolarHBondContact O-CB 3.36Å; A599-A603 PolarHBondContact O-N 3.08Å; K600-A603 WeakPolarHBondContact O-CB 3.02Å; Q601-A603 VanDerWaalsContact C-N 3.28Å; Q601-A603 PolarHBondContact O-N 2.94Å; A603-F606 PolarHBondContact O-N 2.78Å; A603-A607 WeakPolarHBondContact O-CB 3.43Å; A603-A607 PolarHBondContact O-N 3.32Å; A603-F647 HydrophobicContact CB-CB 4.2Å; A603-F647 HydrophobicContact CB-CD2 3.47Å; A603-F647 VanDerWaalsContact CB-CD2 3.47Å; A603-F647 HydrophobicContact CB-CE2 4.3Å; A603-F647 HydrophobicContact CB-CG 4.31Å |
| 604 | S | 83.5 | Confident | 78.9 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 112 | K600 Q601 L602 A607 D608 | K600-S604 PolarHBondContact O-N 3.15Å; K600-S604 VanDerWaalsContact O-N 3.08Å; Q601-S604 WeakPolarHBondContact O-CB 3.49Å; Q601-S604 PolarHBondContact O-N 3.26Å; Q601-S604 VanDerWaalsContact O-N 3.09Å; L602-S604 PolarHBondContact O-N 3.11Å; S604-A607 PolarHBondContact O-N 3.02Å; S604-D608 WeakPolarHBondContact O-CB 3.19Å; S604-D608 VanDerWaalsContact O-CG 3.22Å; S604-D608 PolarHBondContact O-N 3.14Å |
| 605 | I | 85 | Confident | 78.3 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -47 | 178.2 | -67.1 | 166.8 | 0 | 0 | 0 | 109.5 | L565 L568 K569 Q601 L602 A607 D608 L609 V626 | L565-I605 HydrophobicContact CB-CD1 4.44Å; L565-I605 HydrophobicContact CD2-CD1 3.87Å; L565-I605 WeakPolarHBondContact O-CD1 3.46Å; L568-I605 HydrophobicContact CD2-CD1 4.11Å; L568-I605 HydrophobicContact CG-CD1 4.46Å; L568-I605 HydrophobicContact CG-CG2 4.5Å; K569-I605 HydrophobicContact CB-CD1 4.21Å; K569-I605 HydrophobicContact CB-CG1 4.07Å; K569-I605 HydrophobicContact CD-CG1 4.42Å; K569-I605 HydrophobicContact CG-CG1 4.33Å; Q601-I605 VanDerWaalsContact O-CG1 3.3Å; Q601-I605 WeakPolarHBondContact O-CG1 3.39Å; Q601-I605 PolarHBondContact O-N 2.73Å; L602-I605 PolarHBondContact O-N 2.85Å; I605-A607 VanDerWaalsContact C-N 3.31Å; I605-A607 PolarHBondContact O-N 3.38Å; I605-D608 PolarHBondContact O-N 3.17Å; I605-D608 VanDerWaalsContact O-N 3.15Å; I605-L609 HydrophobicContact CG2-CD1 3.82Å; I605-L609 HydrophobicContact CG2-CG 4.24Å; I605-L609 WeakPolarHBondContact O-CB 3.47Å; I605-L609 VanDerWaalsContact O-CG 3.31Å; I605-L609 WeakPolarHBondContact O-CG 3.44Å; I605-L609 PolarHBondContact O-N 2.78Å; I605-V626 HydrophobicContact CG2-CG2 4.01Å |
| 606 | F | 85.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.1 | -44.8 | 175.1 | -175.9 | -94.6 | 0 | 0 | 0 | 111.7 | L602 A603 D608 L609 T610 A623 V626 L627 F647 F657 F663 | L602-F606 WeakPolarHBondContact O-CB 3.36Å; L602-F606 PolarHBondContact O-N 3.43Å; A603-F606 PolarHBondContact O-N 2.78Å; F606-D608 VanDerWaalsContact C-N 3.33Å; F606-D608 PolarHBondContact O-N 2.99Å; F606-L609 PolarHBondContact O-N 3.39Å; F606-T610 HydrophobicContact CD1-CG2 4.34Å; F606-T610 HydrophobicContact CD2-CG2 4.46Å; F606-T610 HydrophobicContact CE1-CG2 3.97Å; F606-T610 HydrophobicContact CE2-CG2 4.09Å; F606-T610 HydrophobicContact CZ-CG2 3.83Å; F606-T610 WeakPolarHBondContact O-CB 3.19Å; F606-T610 WeakPolarHBondContact O-CG2 3.18Å; F606-T610 PolarHBondContact O-N 3.25Å; F606-T610 PolarHBondContact O-OG1 3.23Å; F606-A623 HydrophobicContact CD2-CB 3.94Å; F606-A623 HydrophobicContact CE2-CB 3.93Å; F606-V626 HydrophobicContact CB-CG1 3.98Å; F606-L627 HydrophobicContact CD2-CD2 3.7Å; F606-L627 HydrophobicContact CD2-CG 4Å; F606-L627 HydrophobicContact CE2-CD1 3.8Å; F606-L627 HydrophobicContact CE2-CD2 3.68Å; F606-L627 HydrophobicContact CE2-CG 3.71Å; F606-L627 HydrophobicContact CG-CD2 4.3Å; F606-L627 HydrophobicContact CZ-CD1 4.28Å; F606-L627 HydrophobicContact CZ-CD2 4.27Å; F606-F647 HydrophobicContact CD1-CE2 4.34Å; F606-F657 HydrophobicContact CE1-CD2 4.11Å; F606-F657 AromaticContact CZ-CD2 3.97Å; F606-F657 HydrophobicContact CZ-CD2 3.97Å; F606-F663 HydrophobicContact CE2-CD1 4.44Å; F606-F663 HydrophobicContact CZ-CD2 4.25Å; F606-F663 HydrophobicContact CZ-CG 4.36Å |
| 607 | A | 81.9 | Confident | 77.4 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A603 S604 I605 S611 E653 | A603-A607 WeakPolarHBondContact O-CB 3.43Å; A603-A607 PolarHBondContact O-N 3.32Å; S604-A607 PolarHBondContact O-N 3.02Å; I605-A607 VanDerWaalsContact C-N 3.31Å; I605-A607 PolarHBondContact O-N 3.38Å; A607-S611 WeakPolarHBondContact O-CB 3.31Å; A607-S611 PolarHBondContact O-N 3.11Å; A607-E653 HydrophobicContact CB-CG 4.05Å |
| 608 | D | 82.8 | Confident | 77 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.4 | -43.8 | 177.1 | -71.9 | -18.9 | 0 | 0 | 0 | 110.7 | K569 S604 I605 F606 T610 S611 | K569-D608 WeakPolarHBondContact CE-OD2 3.25Å; K569-D608 IonicContact NZ-OD2 2.91Å; K569-D608 PolarHBondContact NZ-OD2 3.33Å; S604-D608 WeakPolarHBondContact O-CB 3.19Å; S604-D608 VanDerWaalsContact O-CG 3.22Å; S604-D608 PolarHBondContact O-N 3.14Å; I605-D608 PolarHBondContact O-N 3.17Å; I605-D608 VanDerWaalsContact O-N 3.15Å; F606-D608 VanDerWaalsContact C-N 3.33Å; F606-D608 PolarHBondContact O-N 2.99Å; D608-T610 VanDerWaalsContact C-N 3.34Å; D608-T610 PolarHBondContact O-N 2.97Å; D608-S611 WeakPolarHBondContact O-CB 3.35Å; D608-S611 PolarHBondContact O-N 3Å; D608-S611 PolarHBondContact O-OG 3.05Å |
| 609 | L | 82.3 | Confident | 77 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 177.8 | -71.1 | 173.9 | 0 | 0 | 0 | 112.7 | E572 I605 F606 S611 K619 T622 A623 V626 | E572-L609 HydrophobicContact CB-CD2 4.37Å; E572-L609 HydrophobicContact CG-CD2 3.85Å; I605-L609 HydrophobicContact CG2-CD1 3.82Å; I605-L609 HydrophobicContact CG2-CG 4.24Å; I605-L609 WeakPolarHBondContact O-CB 3.47Å; I605-L609 VanDerWaalsContact O-CG 3.31Å; I605-L609 WeakPolarHBondContact O-CG 3.44Å; I605-L609 PolarHBondContact O-N 2.78Å; F606-L609 PolarHBondContact O-N 3.39Å; L609-S611 VanDerWaalsContact C-N 3.33Å; L609-K619 HydrophobicContact CD2-CB 4.35Å; L609-K619 HydrophobicContact CD2-CD 4.42Å; L609-K619 HydrophobicContact CD2-CG 4.26Å; L609-T622 HydrophobicContact CD1-CG2 3.9Å; L609-A623 HydrophobicContact CB-CB 4.26Å; L609-A623 HydrophobicContact CD1-CB 4.17Å; L609-V626 HydrophobicContact CD1-CG2 4.4Å |
| 610 | T | 78.8 | Confident | 77 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 9.1 | 178.8 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | F606 D608 G612 A623 F663 | F606-T610 HydrophobicContact CD1-CG2 4.34Å; F606-T610 HydrophobicContact CD2-CG2 4.46Å; F606-T610 HydrophobicContact CE1-CG2 3.97Å; F606-T610 HydrophobicContact CE2-CG2 4.09Å; F606-T610 HydrophobicContact CZ-CG2 3.83Å; F606-T610 WeakPolarHBondContact O-CB 3.19Å; F606-T610 WeakPolarHBondContact O-CG2 3.18Å; F606-T610 PolarHBondContact O-N 3.25Å; F606-T610 PolarHBondContact O-OG1 3.23Å; D608-T610 VanDerWaalsContact C-N 3.34Å; D608-T610 PolarHBondContact O-N 2.97Å; T610-G612 PolarHBondContact O-N 2.86Å; T610-A623 HydrophobicContact CG2-CB 4.37Å; T610-F663 HydrophobicContact CG2-CE2 3.82Å; T610-F663 HydrophobicContact CG2-CZ 4.04Å |
| 611 | S | 76.8 | Confident | 77.1 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 57% | 0.573 | 32% | 0.324 | S | S | * | . | trans | -75.7 | 110.3 | 178 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | A607 D608 L609 | A607-S611 WeakPolarHBondContact O-CB 3.31Å; A607-S611 PolarHBondContact O-N 3.11Å; D608-S611 WeakPolarHBondContact O-CB 3.35Å; D608-S611 PolarHBondContact O-N 3Å; D608-S611 PolarHBondContact O-OG 3.05Å; L609-S611 VanDerWaalsContact C-N 3.33Å | ||
| 612 | G | 69.8 | Low | 77.3 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 148.1 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T610 R659 | T610-G612 PolarHBondContact O-N 2.86Å; G612-R659 PolarHBondContact O-NH1 2.87Å; G612-R659 VanDerWaalsContact O-NH1 3.09Å |
| 613 | D | 64.8 | Low | 77.3 | Confident | 121 Ų | 121 | 56.1 Ų | 56.1 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -88.9 | -28.8 | 170.5 | -75.3 | -26.5 | 0 | 0 | 0 | 112.1 | R659 | D613-R659 IonicContact OD1-CZ 2.72Å; D613-R659 IonicContact OD1-NH1 3.96Å; D613-R659 PolarHBondContact OD1-NH1 3.47Å; D613-R659 IonicContact OD1-NH2 4Å; D613-R659 PolarHBondContact OD1-NH2 3.09Å |
| 614 | D | 64.1 | Low | 77.6 | Confident | 152 Ų | 152 | 58.4 Ų | 58.4 | 81% | 0.813 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -123.8 | 110.3 | 174.9 | -64.1 | -38.2 | 0 | 0 | 0 | 109.2 | ||
| 615 | V | 61.1 | Low | 77.8 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | trans | -76.6 | 126.2 | 170.4 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | K619 S620 F660 | V615-K619 HydrophobicContact CG1-CB 3.87Å; V615-S620 VanDerWaalsContact CG1-OG 3.32Å; V615-S620 WeakPolarHBondContact CG1-OG 3.27Å; V615-F660 HydrophobicContact CG2-CD1 4.48Å; V615-F660 HydrophobicContact CG2-CD2 4.11Å; V615-F660 HydrophobicContact CG2-CE1 3.99Å; V615-F660 HydrophobicContact CG2-CE2 3.56Å; V615-F660 HydrophobicContact CG2-CZ 3.5Å; V615-F660 VanDerWaalsContact CG2-CZ 3.5Å | ||
| 616 | K | 68.1 | Low | 78 | Confident | 149 Ų | 149 | 56.5 Ų | 56.5 | 65% | 0.648 | 32% | 0.315 | S | S | * | . | trans | -68.6 | 143.3 | 174.4 | -66.2 | -176.5 | 176.3 | -175.1 | 0 | 109.3 | D618 K619 S620 | K616-D618 VanDerWaalsContact C-N 3.27Å; K616-D618 PolarHBondContact O-N 3.09Å; K616-D618 VanDerWaalsContact O-N 3.16Å; K616-K619 WeakPolarHBondContact O-CA 3.41Å; K616-K619 WeakPolarHBondContact O-CB 3.38Å; K616-K619 PolarHBondContact O-N 3.03Å; K616-S620 PolarHBondContact O-N 3.16Å; K616-S620 VanDerWaalsContact O-N 3.13Å | ||
| 617 | E | 69.8 | Low | 78.1 | Confident | 168 Ų | 168 | 56.6 Ų | 56.6 | 79% | 0.785 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -46.4 | -47 | -179.8 | -72.9 | 173.1 | -178.2 | 0 | 0 | 112.7 | K619 S620 V621 | E617-K619 VanDerWaalsContact C-N 3.28Å; E617-K619 PolarHBondContact O-N 3.39Å; E617-S620 WeakPolarHBondContact O-CB 3.37Å; E617-S620 PolarHBondContact O-N 2.86Å; E617-V621 PolarHBondContact O-N 3.38Å; E617-V621 VanDerWaalsContact O-N 3.16Å |
| 618 | D | 69.4 | Low | 78.4 | Confident | 118 Ų | 118 | 56.5 Ų | 56.5 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.3 | -37.7 | 178.8 | -48.5 | -28 | 0 | 0 | 0 | 113.1 | K616 T622 | K616-D618 VanDerWaalsContact C-N 3.27Å; K616-D618 PolarHBondContact O-N 3.09Å; K616-D618 VanDerWaalsContact O-N 3.16Å; D618-T622 PolarHBondContact O-N 3.24Å; D618-T622 PolarHBondContact O-OG1 2.88Å |
| 619 | K | 80.5 | Confident | 78.6 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.7 | -30.5 | 178.2 | -66.9 | -168.7 | 176.2 | -126.8 | 0 | 112 | E572 L609 V615 K616 E617 V621 A623 | E572-K619 WeakPolarHBondContact OE1-CE 3.39Å; E572-K619 IonicContact OE1-NZ 2.79Å; E572-K619 PolarHBondContact OE1-NZ 3.33Å; E572-K619 WeakPolarHBondContact OE2-CE 3.34Å; E572-K619 IonicContact OE2-NZ 3.84Å; L609-K619 HydrophobicContact CD2-CB 4.35Å; L609-K619 HydrophobicContact CD2-CD 4.42Å; L609-K619 HydrophobicContact CD2-CG 4.26Å; V615-K619 HydrophobicContact CG1-CB 3.87Å; K616-K619 WeakPolarHBondContact O-CA 3.41Å; K616-K619 WeakPolarHBondContact O-CB 3.38Å; K616-K619 PolarHBondContact O-N 3.03Å; E617-K619 VanDerWaalsContact C-N 3.28Å; E617-K619 PolarHBondContact O-N 3.39Å; K619-V621 VanDerWaalsContact C-N 3.35Å; K619-A623 WeakPolarHBondContact O-CB 3.2Å; K619-A623 PolarHBondContact O-N 2.94Å |
| 620 | S | 82.2 | Confident | 78.8 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.8 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | V615 K616 E617 A623 L624 | V615-S620 VanDerWaalsContact CG1-OG 3.32Å; V615-S620 WeakPolarHBondContact CG1-OG 3.27Å; K616-S620 PolarHBondContact O-N 3.16Å; K616-S620 VanDerWaalsContact O-N 3.13Å; E617-S620 WeakPolarHBondContact O-CB 3.37Å; E617-S620 PolarHBondContact O-N 2.86Å; S620-A623 PolarHBondContact O-N 2.82Å; S620-L624 WeakPolarHBondContact O-CG 3.39Å; S620-L624 PolarHBondContact O-N 3.02Å |
| 621 | V | 83.6 | Confident | 79.1 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 47% | 0.473 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -53.3 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | D574 E617 K619 A623 L624 G625 | D574-V621 HydrophobicContact CB-CG1 4.22Å; E617-V621 PolarHBondContact O-N 3.38Å; E617-V621 VanDerWaalsContact O-N 3.16Å; K619-V621 VanDerWaalsContact C-N 3.35Å; V621-A623 VanDerWaalsContact C-N 3.27Å; V621-A623 PolarHBondContact O-N 3.02Å; V621-L624 WeakPolarHBondContact O-CB 3.33Å; V621-L624 PolarHBondContact O-N 3.16Å; V621-L624 VanDerWaalsContact O-N 3.13Å; V621-G625 PolarHBondContact O-N 3.4Å |
| 622 | T | 86.1 | Confident | 79.5 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 178.8 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | L568 E572 N577 L609 D618 G625 V626 | L568-T622 HydrophobicContact CD1-CG2 3.89Å; E572-T622 WeakPolarHBondContact O-CG2 3.26Å; E572-T622 PolarHBondContact O-OG1 3Å; N577-T622 PolarHBondContact ND2-O 2.92Å; L609-T622 HydrophobicContact CD1-CG2 3.9Å; D618-T622 PolarHBondContact O-N 3.24Å; D618-T622 PolarHBondContact O-OG1 2.88Å; T622-G625 PolarHBondContact O-N 2.91Å; T622-V626 VanDerWaalsContact O-CG2 3.31Å; T622-V626 WeakPolarHBondContact O-CG2 3.49Å; T622-V626 PolarHBondContact O-N 2.6Å |
| 623 | A | 86.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F606 L609 T610 K619 S620 V621 V626 L627 F663 | F606-A623 HydrophobicContact CD2-CB 3.94Å; F606-A623 HydrophobicContact CE2-CB 3.93Å; L609-A623 HydrophobicContact CB-CB 4.26Å; L609-A623 HydrophobicContact CD1-CB 4.17Å; T610-A623 HydrophobicContact CG2-CB 4.37Å; K619-A623 WeakPolarHBondContact O-CB 3.2Å; K619-A623 PolarHBondContact O-N 2.94Å; S620-A623 PolarHBondContact O-N 2.82Å; V621-A623 VanDerWaalsContact C-N 3.27Å; V621-A623 PolarHBondContact O-N 3.02Å; A623-V626 WeakPolarHBondContact O-CB 3.15Å; A623-V626 PolarHBondContact O-N 3.14Å; A623-L627 WeakPolarHBondContact O-CG 3.41Å; A623-L627 PolarHBondContact O-N 3.1Å; A623-L627 VanDerWaalsContact O-N 3.16Å; A623-F663 HydrophobicContact CB-CE1 3.78Å; A623-F663 HydrophobicContact CB-CZ 3.95Å |
| 624 | L | 86.7 | Confident | 81 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 172.6 | -78.5 | 167.2 | 0 | 0 | 0 | 111.6 | S620 V621 V626 L627 G628 F663 Q666 | S620-L624 WeakPolarHBondContact O-CG 3.39Å; S620-L624 PolarHBondContact O-N 3.02Å; V621-L624 WeakPolarHBondContact O-CB 3.33Å; V621-L624 PolarHBondContact O-N 3.16Å; V621-L624 VanDerWaalsContact O-N 3.13Å; L624-V626 VanDerWaalsContact C-N 3.26Å; L624-V626 PolarHBondContact O-N 3.08Å; L624-L627 WeakPolarHBondContact O-CA 3.01Å; L624-L627 WeakPolarHBondContact O-CB 3.33Å; L624-L627 PolarHBondContact O-N 3.43Å; L624-G628 PolarHBondContact O-N 3.41Å; L624-F663 HydrophobicContact CD2-CD1 3.74Å; L624-F663 HydrophobicContact CD2-CE1 4.4Å; L624-F663 HydrophobicContact CG-CD1 3.85Å; L624-F663 HydrophobicContact CG-CE1 3.99Å; L624-Q666 HydrophobicContact CD2-CB 4.2Å; L624-Q666 HydrophobicContact CD2-CG 4Å |
| 625 | G | 89.3 | Confident | 81.8 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -33.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D574 N577 V621 T622 L627 G628 T629 | D574-G625 WeakPolarHBondContact OD1-CA 3.42Å; N577-G625 WeakPolarHBondContact CB-O 3.34Å; N577-G625 VanDerWaalsContact CG-O 3.3Å; N577-G625 VanDerWaalsContact ND2-C 3.26Å; N577-G625 WeakPolarHBondContact ND2-CA 3.36Å; N577-G625 PolarHBondContact OD1-O 3.3Å; V621-G625 PolarHBondContact O-N 3.4Å; T622-G625 PolarHBondContact O-N 2.91Å; G625-L627 VanDerWaalsContact C-N 3.31Å; G625-L627 PolarHBondContact O-N 2.96Å; G625-G628 PolarHBondContact O-N 3.39Å; G625-T629 WeakPolarHBondContact O-CB 3.45Å; G625-T629 PolarHBondContact O-N 3.06Å; G625-T629 PolarHBondContact O-OG1 3.24Å |
| 626 | V | 89.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 172.9 | 166.6 | 0 | 0 | 0 | 0 | 111 | L568 N577 L602 I605 F606 L609 T622 A623 L624 T629 L630 | L568-V626 HydrophobicContact CD2-CG2 3.87Å; N577-V626 PolarHBondContact ND2-N 2.95Å; N577-V626 WeakPolarHBondContact OD1-CA 3.36Å; N577-V626 PolarHBondContact OD1-N 3.24Å; L602-V626 HydrophobicContact CB-CG1 4.01Å; L602-V626 HydrophobicContact CD2-CG1 3.99Å; L602-V626 HydrophobicContact CD2-CG2 4.48Å; L602-V626 WeakPolarHBondContact O-CG1 3.42Å; I605-V626 HydrophobicContact CG2-CG2 4.01Å; F606-V626 HydrophobicContact CB-CG1 3.98Å; L609-V626 HydrophobicContact CD1-CG2 4.4Å; T622-V626 VanDerWaalsContact O-CG2 3.31Å; T622-V626 WeakPolarHBondContact O-CG2 3.49Å; T622-V626 PolarHBondContact O-N 2.6Å; A623-V626 WeakPolarHBondContact O-CB 3.15Å; A623-V626 PolarHBondContact O-N 3.14Å; L624-V626 VanDerWaalsContact C-N 3.26Å; L624-V626 PolarHBondContact O-N 3.08Å; V626-T629 PolarHBondContact O-N 3.01Å; V626-L630 PolarHBondContact O-N 3.27Å |
| 627 | L | 86.5 | Confident | 83 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 174.5 | -61.8 | -174.1 | 0 | 0 | 0 | 111.9 | F606 A623 L624 G625 T629 L630 E631 F647 F657 F663 Q666 | F606-L627 HydrophobicContact CD2-CD2 3.7Å; F606-L627 HydrophobicContact CD2-CG 4Å; F606-L627 HydrophobicContact CE2-CD1 3.8Å; F606-L627 HydrophobicContact CE2-CD2 3.68Å; F606-L627 HydrophobicContact CE2-CG 3.71Å; F606-L627 HydrophobicContact CG-CD2 4.3Å; F606-L627 HydrophobicContact CZ-CD1 4.28Å; F606-L627 HydrophobicContact CZ-CD2 4.27Å; A623-L627 WeakPolarHBondContact O-CG 3.41Å; A623-L627 PolarHBondContact O-N 3.1Å; A623-L627 VanDerWaalsContact O-N 3.16Å; L624-L627 WeakPolarHBondContact O-CA 3.01Å; L624-L627 WeakPolarHBondContact O-CB 3.33Å; L624-L627 PolarHBondContact O-N 3.43Å; G625-L627 VanDerWaalsContact C-N 3.31Å; G625-L627 PolarHBondContact O-N 2.96Å; L627-T629 PolarHBondContact O-N 3.31Å; L627-L630 HydrophobicContact CD2-CD1 4.1Å; L627-L630 WeakPolarHBondContact O-CB 3.48Å; L627-L630 PolarHBondContact O-N 3.06Å; L627-L630 VanDerWaalsContact O-N 3.1Å; L627-E631 PolarHBondContact O-N 3.48Å; L627-F647 HydrophobicContact CD2-CZ 4.19Å; L627-F657 HydrophobicContact CD1-CD2 4.16Å; L627-F657 HydrophobicContact CD1-CE2 3.67Å; L627-F657 HydrophobicContact CD2-CD2 4.2Å; L627-F657 HydrophobicContact CD2-CE2 3.61Å; L627-F657 HydrophobicContact CG-CE2 4.27Å; L627-F663 HydrophobicContact CD1-CB 4.38Å; L627-Q666 HydrophobicContact CB-CB 4.2Å; L627-Q666 HydrophobicContact CD1-CB 4.11Å |
| 628 | G | 87.7 | Confident | 82.7 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -33 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L624 G625 E631 S632 | L624-G628 PolarHBondContact O-N 3.41Å; G625-G628 PolarHBondContact O-N 3.39Å; G628-E631 PolarHBondContact O-N 2.91Å; G628-S632 PolarHBondContact O-N 3.5Å; G628-S632 PolarHBondContact O-OG 3.39Å; G628-S632 VanDerWaalsContact O-OG 3.1Å |
| 629 | T | 88.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.4 | -36.8 | 174 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | N577 M580 I584 L602 G625 V626 L627 E631 S632 L633 | N577-T629 WeakPolarHBondContact CA-OG1 3.12Å; N577-T629 VanDerWaalsContact CB-OG1 3.24Å; N577-T629 WeakPolarHBondContact CB-OG1 3.48Å; N577-T629 PolarHBondContact O-OG1 3.48Å; N577-T629 PolarHBondContact OD1-OG1 3.43Å; M580-T629 HydrophobicContact CB-CG2 3.55Å; M580-T629 HydrophobicContact CE-CG2 3.72Å; M580-T629 HydrophobicContact CG-CG2 4.42Å; I584-T629 HydrophobicContact CD1-CG2 4.05Å; L602-T629 HydrophobicContact CD1-CG2 3.95Å; L602-T629 HydrophobicContact CD2-CG2 4.29Å; G625-T629 WeakPolarHBondContact O-CB 3.45Å; G625-T629 PolarHBondContact O-N 3.06Å; G625-T629 PolarHBondContact O-OG1 3.24Å; V626-T629 PolarHBondContact O-N 3.01Å; L627-T629 PolarHBondContact O-N 3.31Å; T629-E631 VanDerWaalsContact C-N 3.31Å; T629-S632 PolarHBondContact O-N 3.42Å; T629-L633 WeakPolarHBondContact O-CB 3.48Å; T629-L633 PolarHBondContact O-N 2.92Å |
| 630 | L | 86.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -38.7 | 171.9 | -80.3 | 168.9 | 0 | 0 | 0 | 111.6 | A599 L602 V626 L627 L633 L634 I644 F647 L670 | A599-L630 HydrophobicContact CB-CD2 4.04Å; L602-L630 HydrophobicContact CB-CD1 4.27Å; L602-L630 HydrophobicContact CB-CD2 3.72Å; L602-L630 HydrophobicContact CB-CG 3.85Å; L602-L630 HydrophobicContact CD1-CD2 3.68Å; L602-L630 HydrophobicContact CD1-CG 3.82Å; L602-L630 HydrophobicContact CG-CD2 4.35Å; L602-L630 HydrophobicContact CG-CG 4.45Å; V626-L630 PolarHBondContact O-N 3.27Å; L627-L630 HydrophobicContact CD2-CD1 4.1Å; L627-L630 WeakPolarHBondContact O-CB 3.48Å; L627-L630 PolarHBondContact O-N 3.06Å; L627-L630 VanDerWaalsContact O-N 3.1Å; L630-L633 WeakPolarHBondContact O-CB 3.29Å; L630-L633 PolarHBondContact O-N 3.28Å; L630-L634 PolarHBondContact O-N 3.49Å; L630-I644 HydrophobicContact CB-CD1 4.31Å; L630-I644 HydrophobicContact CD2-CD1 4.02Å; L630-F647 HydrophobicContact CD1-CD2 4.49Å; L630-F647 HydrophobicContact CD1-CE2 4.19Å; L630-F647 HydrophobicContact CD1-CZ 4.26Å; L630-L670 HydrophobicContact CB-CD1 4.04Å |
| 631 | E | 84.7 | Confident | 80.5 | Confident | 39 Ų | 39 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -47.6 | 175.7 | -175.7 | 163.7 | -140 | 0 | 0 | 111.7 | L627 G628 T629 L633 L634 D635 S669 L670 S673 | L627-E631 PolarHBondContact O-N 3.48Å; G628-E631 PolarHBondContact O-N 2.91Å; T629-E631 VanDerWaalsContact C-N 3.31Å; E631-L633 PolarHBondContact O-N 2.93Å; E631-L634 WeakPolarHBondContact O-CA 3.5Å; E631-L634 WeakPolarHBondContact O-CB 3.14Å; E631-L634 PolarHBondContact O-N 3.08Å; E631-D635 PolarHBondContact O-N 3.48Å; E631-S669 WeakPolarHBondContact OE1-CB 3.32Å; E631-S669 PolarHBondContact OE1-OG 2.88Å; E631-L670 HydrophobicContact CB-CD1 4Å; E631-S673 PolarHBondContact OE1-OG 3.47Å |
| 632 | S | 85.5 | Confident | 79.6 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.5 | -36 | 172.9 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | S581 I584 G628 T629 A636 | S581-S632 WeakPolarHBondContact CB-OG 3.28Å; S581-S632 PolarHBondContact OG-OG 2.96Å; I584-S632 WeakPolarHBondContact CG2-O 3.34Å; G628-S632 PolarHBondContact O-N 3.5Å; G628-S632 PolarHBondContact O-OG 3.39Å; G628-S632 VanDerWaalsContact O-OG 3.1Å; T629-S632 PolarHBondContact O-N 3.42Å; S632-A636 PolarHBondContact O-N 2.95Å |
| 633 | L | 84.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 175.2 | -176.2 | 66.2 | 0 | 0 | 0 | 112.6 | I584 V591 A595 I598 A599 T629 L630 E631 A637 | I584-L633 HydrophobicContact CD1-CB 4.14Å; I584-L633 HydrophobicContact CD1-CD1 4.13Å; I584-L633 HydrophobicContact CG1-CD1 4.44Å; I584-L633 HydrophobicContact CG2-CD1 4.5Å; V591-L633 HydrophobicContact CG1-CD1 3.35Å; A595-L633 HydrophobicContact CB-CD1 3.93Å; A595-L633 HydrophobicContact CB-CG 4.25Å; I598-L633 HydrophobicContact CB-CD2 3.95Å; I598-L633 HydrophobicContact CD1-CD1 4.3Å; I598-L633 HydrophobicContact CG2-CD1 4.41Å; I598-L633 HydrophobicContact CG2-CD2 3.75Å; A599-L633 HydrophobicContact CB-CD2 3.91Å; T629-L633 WeakPolarHBondContact O-CB 3.48Å; T629-L633 PolarHBondContact O-N 2.92Å; L630-L633 WeakPolarHBondContact O-CB 3.29Å; L630-L633 PolarHBondContact O-N 3.28Å; E631-L633 PolarHBondContact O-N 2.93Å; L633-A637 VanDerWaalsContact O-CB 3.28Å; L633-A637 WeakPolarHBondContact O-CB 3.49Å; L633-A637 PolarHBondContact O-N 2.83Å; L633-A637 VanDerWaalsContact O-N 3.16Å |
| 634 | L | 80.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 174.9 | -76.1 | 179.9 | 0 | 0 | 0 | 111.7 | L630 E631 A636 A637 K640 I644 L670 L674 | L630-L634 PolarHBondContact O-N 3.49Å; E631-L634 WeakPolarHBondContact O-CA 3.5Å; E631-L634 WeakPolarHBondContact O-CB 3.14Å; E631-L634 PolarHBondContact O-N 3.08Å; L634-A636 VanDerWaalsContact C-N 3.26Å; L634-A636 PolarHBondContact O-N 3.16Å; L634-A637 PolarHBondContact O-N 3.28Å; L634-K640 HydrophobicContact CB-CD 4.48Å; L634-K640 HydrophobicContact CD2-CB 4.15Å; L634-K640 WeakPolarHBondContact O-CD 3.4Å; L634-K640 WeakPolarHBondContact O-CE 3.3Å; L634-K640 WeakPolarHBondContact O-CG 3.4Å; L634-I644 HydrophobicContact CD1-CD1 3.75Å; L634-I644 HydrophobicContact CD2-CB 4.1Å; L634-I644 HydrophobicContact CD2-CD1 3.32Å; L634-I644 HydrophobicContact CD2-CG1 3.49Å; L634-I644 VanDerWaalsContact CD2-CG1 3.49Å; L634-I644 HydrophobicContact CG-CD1 3.32Å; L634-I644 HydrophobicContact CG-CG1 4.09Å; L634-L670 HydrophobicContact CD1-CD1 3.51Å; L634-L670 HydrophobicContact CD1-CG 4.12Å; L634-L670 HydrophobicContact CG-CD1 4.36Å; L634-L674 HydrophobicContact CD1-CD1 4.43Å; L634-L674 HydrophobicContact CD1-CD2 3.74Å; L634-L674 HydrophobicContact CD1-CG 3.71Å; L634-L674 HydrophobicContact CD2-CD2 3.59Å; L634-L674 HydrophobicContact CD2-CG 4.49Å; L634-L674 HydrophobicContact CG-CD2 4.32Å |
| 635 | D | 80.4 | Confident | 76.2 | Confident | 88 Ų | 88 | 42 Ų | 42 | 47% | 0.471 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.5 | -33.8 | -177.1 | -69.3 | -25.7 | 0 | 0 | 0 | 112.1 | E631 K640 | E631-D635 PolarHBondContact O-N 3.48Å; D635-K640 IonicContact OD1-NZ 2.87Å; D635-K640 PolarHBondContact OD1-NZ 3.02Å |
| 636 | A | 80 | Confident | 74.9 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.6 | -16.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I584 E588 V591 S632 L634 | I584-A636 HydrophobicContact CG2-CB 3.47Å; I584-A636 VanDerWaalsContact CG2-CB 3.47Å; E588-A636 HydrophobicContact CB-CB 4.33Å; E588-A636 HydrophobicContact CG-CB 3.9Å; E588-A636 WeakPolarHBondContact CG-O 3.03Å; V591-A636 HydrophobicContact CG1-CB 4.39Å; S632-A636 PolarHBondContact O-N 2.95Å; L634-A636 VanDerWaalsContact C-N 3.26Å; L634-A636 PolarHBondContact O-N 3.16Å |
| 637 | A | 74.9 | Confident | 73.7 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | trans | -94.9 | 113.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A595 L633 L634 E639 K640 | A595-A637 HydrophobicContact CB-CB 4.17Å; L633-A637 VanDerWaalsContact O-CB 3.28Å; L633-A637 WeakPolarHBondContact O-CB 3.49Å; L633-A637 PolarHBondContact O-N 2.83Å; L633-A637 VanDerWaalsContact O-N 3.16Å; L634-A637 PolarHBondContact O-N 3.28Å; A637-E639 PolarHBondContact O-N 3.24Å; A637-K640 WeakPolarHBondContact O-CG 3.47Å; A637-K640 PolarHBondContact O-N 2.86Å | ||
| 638 | E | 63.5 | Low | 72.5 | Confident | 198 Ų | 198 | 44.2 Ų | 44.2 | 93% | 0.925 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -35.7 | 175 | -68 | -176 | 168.8 | 0 | 0 | 112.5 | ||
| 639 | E | 63.7 | Low | 71.2 | Confident | 144 Ų | 144 | 51.6 Ų | 51.6 | 67% | 0.673 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 59.6 | 177.4 | -64.3 | -174.9 | 167.8 | 0 | 0 | 111.4 | A637 E641 E642 | A637-E639 PolarHBondContact O-N 3.24Å; E639-E641 PolarHBondContact O-N 2.92Å; E639-E642 PolarHBondContact O-N 3.38Å |
| 640 | K | 64.2 | Low | 70 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -43.6 | -38 | -178.1 | -62.8 | -159.6 | -178.8 | -159.7 | 0 | 114.1 | L634 D635 A637 S643 | L634-K640 HydrophobicContact CB-CD 4.48Å; L634-K640 HydrophobicContact CD2-CB 4.15Å; L634-K640 WeakPolarHBondContact O-CD 3.4Å; L634-K640 WeakPolarHBondContact O-CE 3.3Å; L634-K640 WeakPolarHBondContact O-CG 3.4Å; D635-K640 IonicContact OD1-NZ 2.87Å; D635-K640 PolarHBondContact OD1-NZ 3.02Å; A637-K640 WeakPolarHBondContact O-CG 3.47Å; A637-K640 PolarHBondContact O-N 2.86Å; K640-S643 PolarHBondContact O-OG 3.06Å |
| 641 | E | 58.9 | Low | 68.7 | Low | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.2 | -56.8 | -173.8 | -83.9 | -171.7 | -161.6 | 0 | 0 | 113.4 | E639 S643 F645 T680 | E639-E641 PolarHBondContact O-N 2.92Å; E641-S643 PolarHBondContact O-N 3.21Å; E641-F645 HydrophobicContact CB-CD2 4.13Å; E641-F645 HydrophobicContact CB-CE2 3.66Å; E641-F645 HydrophobicContact CG-CE2 4.16Å; E641-F645 WeakPolarHBondContact O-CD2 2.84Å; E641-F645 WeakPolarHBondContact O-CG 3.4Å; E641-F645 PolarHBondContact O-N 3.1Å; E641-F645 VanDerWaalsContact O-N 3.14Å; E641-T680 HydrophobicContact CG-CG2 3.75Å; E641-T680 WeakPolarHBondContact OE1-CG2 3.43Å; E641-T680 WeakPolarHBondContact OE2-CG2 3.48Å |
| 642 | E | 63.1 | Low | 67.3 | Low | 134 Ų | 134 | 69.7 Ų | 69.7 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.7 | -28.6 | -172.5 | -68.5 | -158.4 | 168.9 | 0 | 0 | 113.1 | E639 | E639-E642 PolarHBondContact O-N 3.38Å |
| 643 | S | 60.2 | Low | 66.1 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68 | -45.5 | -177.4 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | A599 K640 E641 P646 | A599-S643 WeakPolarHBondContact CB-O 3.35Å; K640-S643 PolarHBondContact O-OG 3.06Å; E641-S643 PolarHBondContact O-N 3.21Å; S643-P646 WeakPolarHBondContact O-CD 3.4Å |
| 644 | I | 64 | Low | 64.9 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -100.3 | -12.6 | -175.2 | -65.8 | -153.7 | 0 | 0 | 0 | 113.9 | A599 L630 L634 F647 L648 L670 L674 | A599-I644 HydrophobicContact CB-CG1 4.16Å; L630-I644 HydrophobicContact CB-CD1 4.31Å; L630-I644 HydrophobicContact CD2-CD1 4.02Å; L634-I644 HydrophobicContact CD1-CD1 3.75Å; L634-I644 HydrophobicContact CD2-CB 4.1Å; L634-I644 HydrophobicContact CD2-CD1 3.32Å; L634-I644 HydrophobicContact CD2-CG1 3.49Å; L634-I644 VanDerWaalsContact CD2-CG1 3.49Å; L634-I644 HydrophobicContact CG-CD1 3.32Å; L634-I644 HydrophobicContact CG-CG1 4.09Å; I644-F647 HydrophobicContact CG2-CB 4.05Å; I644-F647 HydrophobicContact CG2-CD1 4.05Å; I644-F647 HydrophobicContact CG2-CG 4.47Å; I644-F647 WeakPolarHBondContact O-CA 3.46Å; I644-F647 VanDerWaalsContact O-CB 3.3Å; I644-F647 WeakPolarHBondContact O-CB 2.89Å; I644-F647 PolarHBondContact O-N 3.48Å; I644-L648 HydrophobicContact CG2-CG 4.39Å; I644-L648 PolarHBondContact O-N 3.11Å; I644-L670 HydrophobicContact CD1-CD1 4.32Å; I644-L674 HydrophobicContact CB-CD2 4.41Å; I644-L674 HydrophobicContact CG2-CD1 4.01Å |
| 645 | F | 63.7 | Low | 63.9 | Low | 60 Ų | 60 | 74.6 Ų | 74.6 | 26% | 0.263 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -46.4 | -38.8 | 173.9 | -94.9 | -56.3 | 0 | 0 | 0 | 115.4 | E641 F647 L648 K649 T680 A682 | E641-F645 HydrophobicContact CB-CD2 4.13Å; E641-F645 HydrophobicContact CB-CE2 3.66Å; E641-F645 HydrophobicContact CG-CE2 4.16Å; E641-F645 WeakPolarHBondContact O-CD2 2.84Å; E641-F645 WeakPolarHBondContact O-CG 3.4Å; E641-F645 PolarHBondContact O-N 3.1Å; E641-F645 VanDerWaalsContact O-N 3.14Å; F645-F647 VanDerWaalsContact C-N 3.32Å; F645-F647 PolarHBondContact O-N 3.2Å; F645-L648 PolarHBondContact O-N 3.04Å; F645-K649 WeakPolarHBondContact O-CB 3.31Å; F645-K649 PolarHBondContact O-N 3.31Å; F645-T680 HydrophobicContact CE1-CG2 4.41Å; F645-T680 HydrophobicContact CE2-CG2 4.35Å; F645-T680 HydrophobicContact CZ-CG2 3.61Å; F645-A682 HydrophobicContact CD1-CB 4.09Å; F645-A682 HydrophobicContact CE1-CB 3.62Å |
| 646 | P | 61.7 | Low | 63 | Low | 44 Ų | 44 | 71.3 Ų | 71.3 | 29% | 0.286 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 174.4 | -25.3 | 35.4 | 0 | 0 | 0 | 113.8 | V596 K600 S643 N650 | V596-P646 HydrophobicContact CG1-CG 4.23Å; K600-P646 HydrophobicContact CG-CB 3.78Å; K600-P646 HydrophobicContact CG-CG 4.09Å; S643-P646 WeakPolarHBondContact O-CD 3.4Å; P646-N650 PolarHBondContact O-N 2.95Å |
| 647 | F | 64 | Low | 62.1 | Low | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -49.4 | 177.9 | 177.1 | -105.3 | 0 | 0 | 0 | 111.3 | A603 F606 L627 L630 I644 F645 K649 N650 F657 L670 | A603-F647 HydrophobicContact CB-CB 4.2Å; A603-F647 HydrophobicContact CB-CD2 3.47Å; A603-F647 VanDerWaalsContact CB-CD2 3.47Å; A603-F647 HydrophobicContact CB-CE2 4.3Å; A603-F647 HydrophobicContact CB-CG 4.31Å; F606-F647 HydrophobicContact CD1-CE2 4.34Å; L627-F647 HydrophobicContact CD2-CZ 4.19Å; L630-F647 HydrophobicContact CD1-CD2 4.49Å; L630-F647 HydrophobicContact CD1-CE2 4.19Å; L630-F647 HydrophobicContact CD1-CZ 4.26Å; I644-F647 HydrophobicContact CG2-CB 4.05Å; I644-F647 HydrophobicContact CG2-CD1 4.05Å; I644-F647 HydrophobicContact CG2-CG 4.47Å; I644-F647 WeakPolarHBondContact O-CA 3.46Å; I644-F647 VanDerWaalsContact O-CB 3.3Å; I644-F647 WeakPolarHBondContact O-CB 2.89Å; I644-F647 PolarHBondContact O-N 3.48Å; F645-F647 VanDerWaalsContact C-N 3.32Å; F645-F647 PolarHBondContact O-N 3.2Å; F647-K649 VanDerWaalsContact C-N 3.34Å; F647-K649 PolarHBondContact O-N 3.17Å; F647-N650 PolarHBondContact O-N 3.41Å; F647-F657 HydrophobicContact CE1-CD2 4.41Å; F647-F657 HydrophobicContact CE1-CE2 4.05Å; F647-F657 HydrophobicContact CE1-CZ 4.26Å; F647-F657 AromaticContact CZ-CD2 3.96Å; F647-F657 HydrophobicContact CZ-CD2 3.96Å; F647-F657 AromaticContact CZ-CE2 3.85Å; F647-F657 HydrophobicContact CZ-CE2 3.85Å; F647-L670 HydrophobicContact CD1-CD2 4.39Å; F647-L670 HydrophobicContact CE1-CD2 3.84Å |
| 648 | L | 61.7 | Low | 61.4 | Low | 18 Ų | 18 | 71.4 Ų | 71.4 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -33.7 | 178.2 | -71.4 | -179.8 | 0 | 0 | 0 | 113.3 | I644 F645 N650 L674 L683 F686 | I644-L648 HydrophobicContact CG2-CG 4.39Å; I644-L648 PolarHBondContact O-N 3.11Å; F645-L648 PolarHBondContact O-N 3.04Å; L648-N650 VanDerWaalsContact C-N 3.31Å; L648-N650 PolarHBondContact O-N 3.29Å; L648-L674 HydrophobicContact CD1-CD1 3.87Å; L648-L674 HydrophobicContact CG-CD1 4.44Å; L648-L683 HydrophobicContact CD1-CD2 3.78Å; L648-L683 HydrophobicContact CD1-CG 4.33Å; L648-F686 HydrophobicContact CD2-CD1 4.44Å |
| 649 | K | 61.6 | Low | 61.4 | Low | 180 Ų | 180 | 68.3 Ų | 68.3 | 78% | 0.783 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71.1 | -28.7 | -176.2 | -169.3 | 175.3 | -176.6 | 176.7 | 0 | 112.2 | F645 F647 K651 | F645-K649 WeakPolarHBondContact O-CB 3.31Å; F645-K649 PolarHBondContact O-N 3.31Å; F647-K649 VanDerWaalsContact C-N 3.34Å; F647-K649 PolarHBondContact O-N 3.17Å; K649-K651 VanDerWaalsContact C-N 3.35Å; K649-K651 PolarHBondContact O-N 3.12Å |
| 650 | N | 63.1 | Low | 61.6 | Low | 68 Ų | 68 | 63.1 Ų | 63.1 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -78.6 | 88.7 | 176.3 | -161.8 | -11.1 | 0 | 0 | 0 | 109.6 | P646 F647 L648 R652 E653 A654 | P646-N650 PolarHBondContact O-N 2.95Å; F647-N650 PolarHBondContact O-N 3.41Å; L648-N650 VanDerWaalsContact C-N 3.31Å; L648-N650 PolarHBondContact O-N 3.29Å; N650-R652 PolarHBondContact O-N 2.73Å; N650-E653 HydrophobicContact CB-CB 4.11Å; N650-E653 HydrophobicContact CB-CG 3.89Å; N650-E653 WeakPolarHBondContact CB-OE2 3.45Å; N650-E653 PolarHBondContact ND2-OE1 3.21Å; N650-E653 WeakPolarHBondContact O-CB 3.33Å; N650-E653 PolarHBondContact O-N 2.91Å; N650-A654 PolarHBondContact O-N 3.32Å | ||
| 651 | K | 58.1 | Low | 61.7 | Low | 150 Ų | 150 | 64.7 Ų | 64.7 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -48.9 | -27 | 179.6 | -75.1 | -166.7 | 176.5 | -169.7 | 0 | 114 | K649 M655 | K649-K651 VanDerWaalsContact C-N 3.35Å; K649-K651 PolarHBondContact O-N 3.12Å; K651-M655 HydrophobicContact CB-CE 4.19Å; K651-M655 WeakPolarHBondContact O-CB 3.44Å; K651-M655 WeakPolarHBondContact O-CE 3.27Å; K651-M655 VanDerWaalsContact O-CG 3.26Å; K651-M655 WeakPolarHBondContact O-CG 3.39Å; K651-M655 PolarHBondContact O-N 2.99Å |
| 652 | R | 55.6 | Low | 62.3 | Low | 201 Ų | 201 | 66.3 Ų | 66.3 | 76% | 0.758 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.5 | -45.2 | 176.1 | -172.6 | -179.4 | 178 | -171.1 | -2.9 | 111.8 | N650 M655 A656 | N650-R652 PolarHBondContact O-N 2.73Å; R652-M655 PolarHBondContact O-N 3.4Å; R652-A656 WeakPolarHBondContact O-CB 3.32Å; R652-A656 PolarHBondContact O-N 3.24Å |
| 653 | E | 60.8 | Low | 62.9 | Low | 30 Ų | 30 | 60 Ų | 60 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -47.1 | 176.5 | -63.4 | 170 | -169.5 | 0 | 0 | 109.6 | A607 N650 M655 A656 F657 | A607-E653 HydrophobicContact CB-CG 4.05Å; N650-E653 HydrophobicContact CB-CB 4.11Å; N650-E653 HydrophobicContact CB-CG 3.89Å; N650-E653 WeakPolarHBondContact CB-OE2 3.45Å; N650-E653 PolarHBondContact ND2-OE1 3.21Å; N650-E653 WeakPolarHBondContact O-CB 3.33Å; N650-E653 PolarHBondContact O-N 2.91Å; E653-M655 VanDerWaalsContact C-N 3.3Å; E653-M655 PolarHBondContact O-N 3.07Å; E653-A656 WeakPolarHBondContact O-CB 3.37Å; E653-A656 PolarHBondContact O-N 3.03Å; E653-F657 WeakPolarHBondContact O-CB 3.39Å; E653-F657 PolarHBondContact O-N 3.39Å |
| 654 | A | 60.3 | Low | 63.6 | Low | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.2 | -21 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | N650 F657 F686 | N650-A654 PolarHBondContact O-N 3.32Å; A654-F657 WeakPolarHBondContact O-CB 3.41Å; A654-F686 HydrophobicContact CB-CD2 4.04Å; A654-F686 HydrophobicContact CB-CE2 3.37Å; A654-F686 HydrophobicContact CB-CZ 4.03Å; A654-F686 WeakPolarHBondContact O-CE2 3.36Å |
| 655 | M | 59 | Low | 64.3 | Low | 110 Ų | 110 | 65.1 Ų | 65.1 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -86 | -32.9 | 169.4 | -83.1 | -168.7 | -79.5 | 0 | 0 | 112.6 | K651 R652 E653 F657 L658 R659 | K651-M655 HydrophobicContact CB-CE 4.19Å; K651-M655 WeakPolarHBondContact O-CB 3.44Å; K651-M655 WeakPolarHBondContact O-CE 3.27Å; K651-M655 VanDerWaalsContact O-CG 3.26Å; K651-M655 WeakPolarHBondContact O-CG 3.39Å; K651-M655 PolarHBondContact O-N 2.99Å; R652-M655 PolarHBondContact O-N 3.4Å; E653-M655 VanDerWaalsContact C-N 3.3Å; E653-M655 PolarHBondContact O-N 3.07Å; M655-F657 PolarHBondContact O-N 3.2Å; M655-L658 CarbonylContact O-C 3.59Å; M655-L658 PolarHBondContact O-N 3.33Å; M655-L658 VanDerWaalsContact O-N 3.11Å; M655-R659 PolarHBondContact O-N 2.96Å; M655-R659 VanDerWaalsContact O-N 3.12Å |
| 656 | A | 60.4 | Low | 65.1 | Low | 18 Ų | 18 | 64.6 Ų | 64.6 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R652 E653 L658 R659 | R652-A656 WeakPolarHBondContact O-CB 3.32Å; R652-A656 PolarHBondContact O-N 3.24Å; E653-A656 WeakPolarHBondContact O-CB 3.37Å; E653-A656 PolarHBondContact O-N 3.03Å; A656-L658 VanDerWaalsContact C-N 3.26Å; A656-L658 PolarHBondContact O-N 2.87Å; A656-R659 WeakPolarHBondContact O-CB 3.3Å; A656-R659 PolarHBondContact O-N 3.45Å; A656-R659 VanDerWaalsContact O-N 3.12Å |
| 657 | F | 60.8 | Low | 65.9 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37.7 | 170.8 | -160 | -118.5 | 0 | 0 | 0 | 114.5 | F606 L627 F647 E653 A654 M655 A667 L670 I671 F686 | F606-F657 HydrophobicContact CE1-CD2 4.11Å; F606-F657 AromaticContact CZ-CD2 3.97Å; F606-F657 HydrophobicContact CZ-CD2 3.97Å; L627-F657 HydrophobicContact CD1-CD2 4.16Å; L627-F657 HydrophobicContact CD1-CE2 3.67Å; L627-F657 HydrophobicContact CD2-CD2 4.2Å; L627-F657 HydrophobicContact CD2-CE2 3.61Å; L627-F657 HydrophobicContact CG-CE2 4.27Å; F647-F657 HydrophobicContact CE1-CD2 4.41Å; F647-F657 HydrophobicContact CE1-CE2 4.05Å; F647-F657 HydrophobicContact CE1-CZ 4.26Å; F647-F657 AromaticContact CZ-CD2 3.96Å; F647-F657 HydrophobicContact CZ-CD2 3.96Å; F647-F657 AromaticContact CZ-CE2 3.85Å; F647-F657 HydrophobicContact CZ-CE2 3.85Å; E653-F657 WeakPolarHBondContact O-CB 3.39Å; E653-F657 PolarHBondContact O-N 3.39Å; A654-F657 WeakPolarHBondContact O-CB 3.41Å; M655-F657 PolarHBondContact O-N 3.2Å; F657-A667 HydrophobicContact CD1-CB 3.48Å; F657-A667 VanDerWaalsContact CD1-CB 3.48Å; F657-A667 HydrophobicContact CD2-CB 4.24Å; F657-A667 VanDerWaalsContact CE1-CA 3.42Å; F657-A667 HydrophobicContact CE1-CB 3.01Å; F657-A667 HydrophobicContact CE2-CB 3.81Å; F657-A667 HydrophobicContact CG-CB 4.12Å; F657-A667 HydrophobicContact CZ-CB 3.24Å; F657-L670 HydrophobicContact CE2-CD2 4.46Å; F657-L670 HydrophobicContact CZ-CD2 4.02Å; F657-I671 HydrophobicContact CE1-CD1 4.23Å; F657-F686 HydrophobicContact CD1-CZ 4.22Å |
| 658 | L | 60.3 | Low | 66.7 | Low | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 8.8 | -178 | -68.3 | 172.2 | 0 | 0 | 0 | 112.9 | M655 A656 Y664 Y668 F686 A693 | M655-L658 CarbonylContact O-C 3.59Å; M655-L658 PolarHBondContact O-N 3.33Å; M655-L658 VanDerWaalsContact O-N 3.11Å; A656-L658 VanDerWaalsContact C-N 3.26Å; A656-L658 PolarHBondContact O-N 2.87Å; L658-Y664 HydrophobicContact CD2-CE1 4.32Å; L658-Y664 PolarHBondContact O-OH 2.71Å; L658-Y668 HydrophobicContact CD2-CE1 4.49Å; L658-F686 HydrophobicContact CD1-CE1 4.46Å; L658-F686 HydrophobicContact CD1-CE2 4.08Å; L658-F686 HydrophobicContact CD1-CZ 3.71Å; L658-F686 HydrophobicContact CG-CZ 4.23Å; L658-A693 HydrophobicContact CB-CB 3.89Å; L658-A693 HydrophobicContact CD1-CB 4.12Å; L658-A693 HydrophobicContact CD2-CB 3.94Å; L658-A693 HydrophobicContact CG-CB 4.21Å |
| 659 | R | 64.7 | Low | 67.7 | Low | 133 Ų | 133 | 63.9 Ų | 63.9 | 50% | 0.502 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -33 | -176.8 | -170.6 | 177.7 | 179.9 | -169 | -0.3 | 112.4 | G612 D613 M655 A656 | G612-R659 PolarHBondContact O-NH1 2.87Å; G612-R659 VanDerWaalsContact O-NH1 3.09Å; D613-R659 IonicContact OD1-CZ 2.72Å; D613-R659 IonicContact OD1-NH1 3.96Å; D613-R659 PolarHBondContact OD1-NH1 3.47Å; D613-R659 IonicContact OD1-NH2 4Å; D613-R659 PolarHBondContact OD1-NH2 3.09Å; M655-R659 PolarHBondContact O-N 2.96Å; M655-R659 VanDerWaalsContact O-N 3.12Å; A656-R659 WeakPolarHBondContact O-CB 3.3Å; A656-R659 PolarHBondContact O-N 3.45Å; A656-R659 VanDerWaalsContact O-N 3.12Å |
| 660 | F | 67 | Low | 68.6 | Low | 35 Ų | 35 | 55.4 Ų | 55.4 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -114.7 | 131.1 | -176.3 | -54.5 | -78.5 | 0 | 0 | 0 | 109.2 | V615 D662 F663 Y664 | V615-F660 HydrophobicContact CG2-CD1 4.48Å; V615-F660 HydrophobicContact CG2-CD2 4.11Å; V615-F660 HydrophobicContact CG2-CE1 3.99Å; V615-F660 HydrophobicContact CG2-CE2 3.56Å; V615-F660 HydrophobicContact CG2-CZ 3.5Å; V615-F660 VanDerWaalsContact CG2-CZ 3.5Å; F660-D662 PolarHBondContact O-N 3.25Å; F660-F663 HydrophobicContact CB-CD2 3.73Å; F660-F663 HydrophobicContact CB-CE2 3.8Å; F660-F663 HydrophobicContact CD2-CD2 4.14Å; F660-F663 AromaticContact CD2-CE2 3.76Å; F660-F663 HydrophobicContact CD2-CE2 3.76Å; F660-F663 HydrophobicContact CG-CD2 4.38Å; F660-F663 HydrophobicContact CG-CE2 4.08Å; F660-F663 PolarHBondContact O-N 3.42Å; F660-Y664 WeakPolarHBondContact O-CD1 3.24Å; F660-Y664 WeakPolarHBondContact O-CE1 3.42Å |
| 661 | L | 66.5 | Low | 69.4 | Low | 90 Ų | 90 | 52.2 Ų | 52.2 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -59.6 | -36 | -177 | -144.5 | 96 | 0 | 0 | 0 | 111.3 | F663 Y664 C697 | L661-F663 PolarHBondContact O-N 2.85Å; L661-Y664 HydrophobicContact CD1-CE2 4.28Å; L661-Y664 WeakPolarHBondContact O-CB 3.29Å; L661-Y664 PolarHBondContact O-N 3.14Å; L661-C697 HydrophobicContact CD1-CB 4.44Å; L661-C697 WeakPolarHBondContact CD1-O 3.46Å |
| 662 | D | 71.6 | Confident | 70.7 | Confident | 102 Ų | 102 | 46.3 Ų | 46.3 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -57.3 | -19.8 | -176.5 | -50.1 | -12.6 | 0 | 0 | 0 | 114.2 | F660 | F660-D662 PolarHBondContact O-N 3.25Š|
| 663 | F | 76.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -100.2 | -3.3 | -178.4 | -56.6 | -51.8 | 0 | 0 | 0 | 114 | F606 T610 A623 L624 L627 F660 L661 E665 A667 | F606-F663 HydrophobicContact CE2-CD1 4.44Å; F606-F663 HydrophobicContact CZ-CD2 4.25Å; F606-F663 HydrophobicContact CZ-CG 4.36Å; T610-F663 HydrophobicContact CG2-CE2 3.82Å; T610-F663 HydrophobicContact CG2-CZ 4.04Å; A623-F663 HydrophobicContact CB-CE1 3.78Å; A623-F663 HydrophobicContact CB-CZ 3.95Å; L624-F663 HydrophobicContact CD2-CD1 3.74Å; L624-F663 HydrophobicContact CD2-CE1 4.4Å; L624-F663 HydrophobicContact CG-CD1 3.85Å; L624-F663 HydrophobicContact CG-CE1 3.99Å; L627-F663 HydrophobicContact CD1-CB 4.38Å; F660-F663 HydrophobicContact CB-CD2 3.73Å; F660-F663 HydrophobicContact CB-CE2 3.8Å; F660-F663 HydrophobicContact CD2-CD2 4.14Å; F660-F663 AromaticContact CD2-CE2 3.76Å; F660-F663 HydrophobicContact CD2-CE2 3.76Å; F660-F663 HydrophobicContact CG-CD2 4.38Å; F660-F663 HydrophobicContact CG-CE2 4.08Å; F660-F663 PolarHBondContact O-N 3.42Å; L661-F663 PolarHBondContact O-N 2.85Å; F663-E665 PolarHBondContact O-N 2.73Å; F663-A667 WeakPolarHBondContact O-CB 3.23Å; F663-A667 PolarHBondContact O-N 3.48Å |
| 664 | Y | 75.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.4 | -43.3 | -167.3 | -83.6 | 20.1 | 0 | 0 | 0 | 113.5 | L658 F660 L661 A667 Y668 C697 | L658-Y664 HydrophobicContact CD2-CE1 4.32Å; L658-Y664 PolarHBondContact O-OH 2.71Å; F660-Y664 WeakPolarHBondContact O-CD1 3.24Å; F660-Y664 WeakPolarHBondContact O-CE1 3.42Å; L661-Y664 HydrophobicContact CD1-CE2 4.28Å; L661-Y664 WeakPolarHBondContact O-CB 3.29Å; L661-Y664 PolarHBondContact O-N 3.14Å; Y664-A667 WeakPolarHBondContact O-CB 3.48Å; Y664-A667 PolarHBondContact O-N 3.43Å; Y664-Y668 HydrophobicContact CD2-CE2 4.07Å; Y664-Y668 AromaticContact CD2-CZ 3.98Å; Y664-Y668 VanDerWaalsContact CD2-OH 3.32Å; Y664-Y668 WeakPolarHBondContact CD2-OH 3.37Å; Y664-Y668 HydrophobicContact CG-CE2 4.11Å; Y664-Y668 WeakPolarHBondContact O-CB 3.49Å; Y664-Y668 WeakPolarHBondContact O-CD2 3.45Å; Y664-Y668 PolarHBondContact O-N 3.34Å; Y664-C697 HydrophobicContact CE2-CB 4.27Å; Y664-C697 WeakPolarHBondContact OH-CB 3.44Å; Y664-C697 PolarHBondContact OH-SG 3.39Å |
| 665 | E | 77.9 | Confident | 73.9 | Confident | 108 Ų | 108 | 37.1 Ų | 37.1 | 51% | 0.505 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.5 | -55.7 | -178.3 | -175.7 | -165.8 | 148 | 0 | 0 | 111.1 | F663 A667 Y668 S669 | F663-E665 PolarHBondContact O-N 2.73Å; E665-A667 PolarHBondContact O-N 3.09Å; E665-Y668 PolarHBondContact O-N 3.3Å; E665-Y668 VanDerWaalsContact O-N 3.14Å; E665-S669 PolarHBondContact O-N 3.48Å |
| 666 | Q | 81.1 | Confident | 74.9 | Confident | 49 Ų | 49 | 38 Ų | 38 | 23% | 0.229 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -30.2 | 177.9 | -76 | 60.7 | 39.6 | 0 | 0 | 111.1 | L624 L627 L670 | L624-Q666 HydrophobicContact CD2-CB 4.2Å; L624-Q666 HydrophobicContact CD2-CG 4Å; L627-Q666 HydrophobicContact CB-CB 4.2Å; L627-Q666 HydrophobicContact CD1-CB 4.11Å; Q666-L670 WeakPolarHBondContact O-CB 3.34Å; Q666-L670 PolarHBondContact O-N 3Å |
| 667 | A | 77 | Confident | 75.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | F657 F663 Y664 E665 L670 I671 | F657-A667 HydrophobicContact CD1-CB 3.48Å; F657-A667 VanDerWaalsContact CD1-CB 3.48Å; F657-A667 HydrophobicContact CD2-CB 4.24Å; F657-A667 VanDerWaalsContact CE1-CA 3.42Å; F657-A667 HydrophobicContact CE1-CB 3.01Å; F657-A667 HydrophobicContact CE2-CB 3.81Å; F657-A667 HydrophobicContact CG-CB 4.12Å; F657-A667 HydrophobicContact CZ-CB 3.24Å; F663-A667 WeakPolarHBondContact O-CB 3.23Å; F663-A667 PolarHBondContact O-N 3.48Å; Y664-A667 WeakPolarHBondContact O-CB 3.48Å; Y664-A667 PolarHBondContact O-N 3.43Å; E665-A667 PolarHBondContact O-N 3.09Å; A667-L670 PolarHBondContact O-N 3.47Å; A667-I671 VanDerWaalsContact O-CD1 3.26Å; A667-I671 WeakPolarHBondContact O-CD1 3.42Å; A667-I671 WeakPolarHBondContact O-CG1 3.36Å; A667-I671 PolarHBondContact O-N 2.69Å; A667-I671 VanDerWaalsContact O-N 3.16Å |
| 668 | Y | 80.9 | Confident | 76.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 178.5 | -59.8 | -38.4 | 0 | 0 | 0 | 111.5 | L658 Y664 E665 I671 C672 I690 D705 I706 M709 | L658-Y668 HydrophobicContact CD2-CE1 4.49Å; Y664-Y668 HydrophobicContact CD2-CE2 4.07Å; Y664-Y668 AromaticContact CD2-CZ 3.98Å; Y664-Y668 VanDerWaalsContact CD2-OH 3.32Å; Y664-Y668 WeakPolarHBondContact CD2-OH 3.37Å; Y664-Y668 HydrophobicContact CG-CE2 4.11Å; Y664-Y668 WeakPolarHBondContact O-CB 3.49Å; Y664-Y668 WeakPolarHBondContact O-CD2 3.45Å; Y664-Y668 PolarHBondContact O-N 3.34Å; E665-Y668 PolarHBondContact O-N 3.3Å; E665-Y668 VanDerWaalsContact O-N 3.14Å; Y668-I671 HydrophobicContact CD1-CD1 4.37Å; Y668-I671 PolarHBondContact O-N 3.1Å; Y668-C672 VanDerWaalsContact O-CB 3.31Å; Y668-C672 WeakPolarHBondContact O-CB 3.49Å; Y668-C672 PolarHBondContact O-N 2.67Å; Y668-I690 HydrophobicContact CE1-CG2 4.2Å; Y668-D705 VanDerWaalsContact CB-O 3.32Å; Y668-D705 WeakPolarHBondContact CB-O 3.49Å; Y668-D705 HydrophobicContact CD2-CB 3.82Å; Y668-I706 HydrophobicContact CD1-CG1 4.22Å; Y668-I706 HydrophobicContact CD2-CB 4.42Å; Y668-I706 HydrophobicContact CD2-CG1 3.45Å; Y668-I706 VanDerWaalsContact CD2-CG1 3.45Å; Y668-I706 HydrophobicContact CE1-CD1 4.45Å; Y668-I706 HydrophobicContact CE1-CG1 3.93Å; Y668-I706 HydrophobicContact CE2-CB 4.42Å; Y668-I706 HydrophobicContact CE2-CD1 3.7Å; Y668-I706 HydrophobicContact CE2-CG1 3.09Å; Y668-I706 HydrophobicContact CG-CG1 4.01Å; Y668-M709 HydrophobicContact CD1-CE 3.61Å; Y668-M709 HydrophobicContact CE1-CE 4.09Å; Y668-M709 HydrophobicContact CG-CE 4.33Å |
| 669 | S | 82.9 | Confident | 77.6 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 172.9 | -160.7 | 0 | 0 | 0 | 0 | 111.7 | E631 E665 I671 C672 S673 | E631-S669 WeakPolarHBondContact OE1-CB 3.32Å; E631-S669 PolarHBondContact OE1-OG 2.88Å; E665-S669 PolarHBondContact O-N 3.48Å; S669-I671 VanDerWaalsContact C-N 3.31Å; S669-I671 PolarHBondContact O-N 2.98Å; S669-C672 WeakPolarHBondContact O-CA 3.49Å; S669-C672 VanDerWaalsContact O-CB 3.27Å; S669-C672 WeakPolarHBondContact O-CB 3.32Å; S669-C672 PolarHBondContact O-N 3.35Å; S669-C672 VanDerWaalsContact O-N 3.08Å; S669-S673 PolarHBondContact O-N 3.39Å; S669-S673 PolarHBondContact O-OG 3.2Å |
| 670 | L | 80.5 | Confident | 78.3 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -41.6 | 178.3 | -168.3 | 76.6 | 0 | 0 | 0 | 112.3 | L630 E631 L634 I644 F647 F657 Q666 A667 S673 L674 | L630-L670 HydrophobicContact CB-CD1 4.04Å; E631-L670 HydrophobicContact CB-CD1 4Å; L634-L670 HydrophobicContact CD1-CD1 3.51Å; L634-L670 HydrophobicContact CD1-CG 4.12Å; L634-L670 HydrophobicContact CG-CD1 4.36Å; I644-L670 HydrophobicContact CD1-CD1 4.32Å; F647-L670 HydrophobicContact CD1-CD2 4.39Å; F647-L670 HydrophobicContact CE1-CD2 3.84Å; F657-L670 HydrophobicContact CE2-CD2 4.46Å; F657-L670 HydrophobicContact CZ-CD2 4.02Å; Q666-L670 WeakPolarHBondContact O-CB 3.34Å; Q666-L670 PolarHBondContact O-N 3Å; A667-L670 PolarHBondContact O-N 3.47Å; L670-S673 PolarHBondContact O-N 3.45Å; L670-L674 WeakPolarHBondContact O-CG 2.98Å; L670-L674 PolarHBondContact O-N 3.29Å; L670-L674 VanDerWaalsContact O-N 3.17Å |
| 671 | I | 80.6 | Confident | 79 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.9 | -37.9 | 178 | -59.8 | 157 | 0 | 0 | 0 | 110.9 | F657 A667 Y668 S669 S673 L674 N675 L683 F686 I690 M709 Y713 | F657-I671 HydrophobicContact CE1-CD1 4.23Å; A667-I671 VanDerWaalsContact O-CD1 3.26Å; A667-I671 WeakPolarHBondContact O-CD1 3.42Å; A667-I671 WeakPolarHBondContact O-CG1 3.36Å; A667-I671 PolarHBondContact O-N 2.69Å; A667-I671 VanDerWaalsContact O-N 3.16Å; Y668-I671 HydrophobicContact CD1-CD1 4.37Å; Y668-I671 PolarHBondContact O-N 3.1Å; S669-I671 VanDerWaalsContact C-N 3.31Å; S669-I671 PolarHBondContact O-N 2.98Å; I671-S673 VanDerWaalsContact C-N 3.34Å; I671-L674 PolarHBondContact O-N 3.28Å; I671-N675 VanDerWaalsContact O-CG 3.29Å; I671-N675 PolarHBondContact O-N 3.13Å; I671-N675 PolarHBondContact O-OD1 2.95Å; I671-L683 HydrophobicContact CG2-CD2 4.18Å; I671-F686 HydrophobicContact CD1-CD1 4.16Å; I671-F686 HydrophobicContact CD1-CE1 3.62Å; I671-F686 HydrophobicContact CG1-CE1 4.23Å; I671-I690 HydrophobicContact CD1-CD1 3.81Å; I671-I690 HydrophobicContact CD1-CG1 4.34Å; I671-I690 HydrophobicContact CG2-CD1 4.39Å; I671-M709 HydrophobicContact CB-CG 4.02Å; I671-M709 HydrophobicContact CG2-CG 3.49Å; I671-M709 VanDerWaalsContact CG2-CG 3.49Å; I671-M709 HydrophobicContact CG2-SD 4.41Å; I671-Y713 HydrophobicContact CG2-CE2 4.5Å |
| 672 | C | 84.9 | Confident | 79.4 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 17% | 0.169 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 174.5 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | Y668 S669 L674 N675 F676 P708 M709 N712 | Y668-C672 VanDerWaalsContact O-CB 3.31Å; Y668-C672 WeakPolarHBondContact O-CB 3.49Å; Y668-C672 PolarHBondContact O-N 2.67Å; S669-C672 WeakPolarHBondContact O-CA 3.49Å; S669-C672 VanDerWaalsContact O-CB 3.27Å; S669-C672 WeakPolarHBondContact O-CB 3.32Å; S669-C672 PolarHBondContact O-N 3.35Å; S669-C672 VanDerWaalsContact O-N 3.08Å; C672-L674 PolarHBondContact O-N 3.16Å; C672-N675 VanDerWaalsContact CA-OD1 3.31Å; C672-N675 WeakPolarHBondContact CA-OD1 3.25Å; C672-N675 PolarHBondContact O-N 3.31Å; C672-N675 PolarHBondContact O-OD1 3.03Å; C672-F676 WeakPolarHBondContact O-CB 3.48Å; C672-F676 PolarHBondContact O-N 3.09Å; C672-P708 VanDerWaalsContact SG-CB 3.57Å; C672-M709 HydrophobicContact CB-CB 4.26Å; C672-N712 PolarHBondContact O-ND2 2.99Å; C672-N712 PolarHBondContact SG-ND2 2.77Å; C672-N712 VanDerWaalsContact SG-ND2 3.38Å |
| 673 | S | 80.9 | Confident | 79.8 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -31 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | E631 S669 L670 I671 | E631-S673 PolarHBondContact OE1-OG 3.47Å; S669-S673 PolarHBondContact O-N 3.39Å; S669-S673 PolarHBondContact O-OG 3.2Å; L670-S673 PolarHBondContact O-N 3.45Å; I671-S673 VanDerWaalsContact C-N 3.34Å |
| 674 | L | 79.5 | Confident | 80.1 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.094 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -80 | -34.3 | 176.5 | -73.2 | 172.3 | 0 | 0 | 0 | 114.1 | L634 I644 L648 L670 I671 C672 L683 | L634-L674 HydrophobicContact CD1-CD1 4.43Å; L634-L674 HydrophobicContact CD1-CD2 3.74Å; L634-L674 HydrophobicContact CD1-CG 3.71Å; L634-L674 HydrophobicContact CD2-CD2 3.59Å; L634-L674 HydrophobicContact CD2-CG 4.49Å; L634-L674 HydrophobicContact CG-CD2 4.32Å; I644-L674 HydrophobicContact CB-CD2 4.41Å; I644-L674 HydrophobicContact CG2-CD1 4.01Å; L648-L674 HydrophobicContact CD1-CD1 3.87Å; L648-L674 HydrophobicContact CG-CD1 4.44Å; L670-L674 WeakPolarHBondContact O-CG 2.98Å; L670-L674 PolarHBondContact O-N 3.29Å; L670-L674 VanDerWaalsContact O-N 3.17Å; I671-L674 PolarHBondContact O-N 3.28Å; C672-L674 PolarHBondContact O-N 3.16Å; L674-L683 HydrophobicContact CB-CD1 4.24Å; L674-L683 HydrophobicContact CB-CD2 4.29Å |
| 675 | N | 83 | Confident | 80.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -97.1 | -4.3 | -174.5 | 78.6 | -5 | 0 | 0 | 0 | 113.8 | I671 C672 L677 I679 L683 M709 N712 Y713 | I671-N675 VanDerWaalsContact O-CG 3.29Å; I671-N675 PolarHBondContact O-N 3.13Å; I671-N675 PolarHBondContact O-OD1 2.95Å; C672-N675 VanDerWaalsContact CA-OD1 3.31Å; C672-N675 WeakPolarHBondContact CA-OD1 3.25Å; C672-N675 PolarHBondContact O-N 3.31Å; C672-N675 PolarHBondContact O-OD1 3.03Å; N675-L677 PolarHBondContact O-N 3.23Å; N675-I679 HydrophobicContact CB-CG1 4.29Å; N675-L683 HydrophobicContact CB-CD1 3.96Å; N675-M709 PolarHBondContact ND2-O 2.95Å; N675-N712 HydrophobicContact CB-CB 4.45Å; N675-N712 VanDerWaalsContact CG-CB 3.46Å; N675-N712 WeakPolarHBondContact OD1-CB 3.29Å; N675-N712 PolarHBondContact OD1-ND2 3.46Å; N675-Y713 VanDerWaalsContact ND2-CD2 3.3Å; N675-Y713 WeakPolarHBondContact ND2-CD2 3.32Å; N675-Y713 VanDerWaalsContact ND2-CE2 3.25Å; N675-Y713 WeakPolarHBondContact ND2-CE2 3.05Å |
| 676 | F | 81.1 | Confident | 80.2 | Confident | 129 Ų | 129 | 42.3 Ų | 42.3 | 57% | 0.566 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -56.1 | -45.3 | -178.6 | -179.5 | -106.1 | 0 | 0 | 0 | 114.3 | C672 V716 | C672-F676 WeakPolarHBondContact O-CB 3.48Å; C672-F676 PolarHBondContact O-N 3.09Å; F676-V716 WeakPolarHBondContact O-CG2 3.44Å |
| 677 | L | 77.1 | Confident | 80.1 | Confident | 138 Ų | 138 | 40.2 Ų | 40.2 | 72% | 0.723 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -92.5 | -39 | -179.6 | -67.6 | 176.9 | 0 | 0 | 0 | 113.1 | N675 V716 | N675-L677 PolarHBondContact O-N 3.23Å; L677-V716 WeakPolarHBondContact O-CG1 3.22Å |
| 678 | R | 78.8 | Confident | 80.1 | Confident | 165 Ų | 165 | 43.9 Ų | 43.9 | 62% | 0.623 | 24% | 0.236 | S | C | * | . | trans | -157.3 | 146.7 | -175 | -171.9 | -179.6 | -178.3 | -169.6 | 0.9 | 110.7 | ||||
| 679 | I | 82.7 | Confident | 79.8 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.097 | 25% | 0.25 | C | C | . | . | trans | -105.3 | 111.6 | 176 | -41.8 | -167.2 | 0 | 0 | 0 | 111 | N675 L683 W684 N712 Y713 V716 G717 | N675-I679 HydrophobicContact CB-CG1 4.29Å; I679-L683 HydrophobicContact CG2-CB 3.83Å; I679-L683 HydrophobicContact CG2-CD1 4.36Å; I679-W684 HydrophobicContact CD1-CZ2 4.2Å; I679-W684 HydrophobicContact CG2-CD2 4.24Å; I679-W684 HydrophobicContact CG2-CG 4.21Å; I679-W684 HydrophobicContact CG2-CZ2 4.28Å; I679-N712 WeakPolarHBondContact CD1-O 3.33Å; I679-Y713 HydrophobicContact CD1-CD1 3.54Å; I679-Y713 HydrophobicContact CD1-CE1 4.13Å; I679-Y713 HydrophobicContact CD1-CG 3.94Å; I679-Y713 HydrophobicContact CG2-CD1 3.93Å; I679-Y713 HydrophobicContact CG2-CE1 3.5Å; I679-V716 HydrophobicContact CD1-CB 4.33Å; I679-V716 HydrophobicContact CG1-CB 4.15Å; I679-V716 HydrophobicContact CG1-CG1 4.07Å; I679-G717 VanDerWaalsContact CD1-CA 3.49Å | ||
| 680 | T | 79.7 | Confident | 79.4 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -77 | 158.5 | -179.4 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | E641 F645 A682 L683 W684 | E641-T680 HydrophobicContact CG-CG2 3.75Å; E641-T680 WeakPolarHBondContact OE1-CG2 3.43Å; E641-T680 WeakPolarHBondContact OE2-CG2 3.48Å; F645-T680 HydrophobicContact CE1-CG2 4.41Å; F645-T680 HydrophobicContact CE2-CG2 4.35Å; F645-T680 HydrophobicContact CZ-CG2 3.61Å; T680-A682 PolarHBondContact O-N 3.1Å; T680-L683 HydrophobicContact CG2-CD1 4.5Å; T680-L683 PolarHBondContact O-N 2.99Å; T680-L683 VanDerWaalsContact O-N 3.16Å; T680-L683 WeakPolarHBondContact OG1-CG 3.42Å; T680-L683 PolarHBondContact OG1-N 3.08Å; T680-W684 VanDerWaalsContact O-CD1 3.24Å; T680-W684 PolarHBondContact O-N 3.4Å | ||
| 681 | P | 80.1 | Confident | 79.1 | Confident | 91 Ų | 91 | 44.9 Ų | 44.9 | 59% | 0.591 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -55 | -35 | 174.5 | -27.4 | 35.8 | 0 | 0 | 0 | 114 | W684 D685 | P681-W684 WeakPolarHBondContact O-CB 3.31Å; P681-W684 PolarHBondContact O-N 3.47Å; P681-D685 PolarHBondContact O-N 3.21Å |
| 682 | A | 75.1 | Confident | 78.8 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -36.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F645 T680 W684 D685 F686 | F645-A682 HydrophobicContact CD1-CB 4.09Å; F645-A682 HydrophobicContact CE1-CB 3.62Å; T680-A682 PolarHBondContact O-N 3.1Å; A682-W684 PolarHBondContact O-N 3.26Å; A682-D685 WeakPolarHBondContact O-CB 3.47Å; A682-D685 PolarHBondContact O-N 3.15Å; A682-D685 VanDerWaalsContact O-N 3.15Å; A682-F686 WeakPolarHBondContact O-CB 3.31Å; A682-F686 PolarHBondContact O-N 3.35Å |
| 683 | L | 80.6 | Confident | 78.1 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -36.1 | 172.7 | -75.5 | 171.5 | 0 | 0 | 0 | 111.1 | L648 I671 L674 N675 I679 T680 F686 Y687 Y713 | L648-L683 HydrophobicContact CD1-CD2 3.78Å; L648-L683 HydrophobicContact CD1-CG 4.33Å; I671-L683 HydrophobicContact CG2-CD2 4.18Å; L674-L683 HydrophobicContact CB-CD1 4.24Å; L674-L683 HydrophobicContact CB-CD2 4.29Å; N675-L683 HydrophobicContact CB-CD1 3.96Å; I679-L683 HydrophobicContact CG2-CB 3.83Å; I679-L683 HydrophobicContact CG2-CD1 4.36Å; T680-L683 HydrophobicContact CG2-CD1 4.5Å; T680-L683 PolarHBondContact O-N 2.99Å; T680-L683 VanDerWaalsContact O-N 3.16Å; T680-L683 WeakPolarHBondContact OG1-CG 3.42Å; T680-L683 PolarHBondContact OG1-N 3.08Å; L683-F686 PolarHBondContact O-N 3.45Å; L683-Y687 PolarHBondContact O-N 3.43Å; L683-Y713 PolarHBondContact O-OH 3.48Å |
| 684 | W | 83.4 | Confident | 77.6 | Confident | 14 Ų | 14 | 43.7 Ų | 43.7 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 171.9 | -75.8 | 106 | 0 | 0 | 0 | 113.2 | I679 T680 P681 A682 F686 Y687 Y713 G717 K720 F721 H727 | I679-W684 HydrophobicContact CD1-CZ2 4.2Å; I679-W684 HydrophobicContact CG2-CD2 4.24Å; I679-W684 HydrophobicContact CG2-CG 4.21Å; I679-W684 HydrophobicContact CG2-CZ2 4.28Å; T680-W684 VanDerWaalsContact O-CD1 3.24Å; T680-W684 PolarHBondContact O-N 3.4Å; P681-W684 WeakPolarHBondContact O-CB 3.31Å; P681-W684 PolarHBondContact O-N 3.47Å; A682-W684 PolarHBondContact O-N 3.26Å; W684-F686 PolarHBondContact O-N 3.03Å; W684-Y687 VanDerWaalsContact O-CB 3.32Å; W684-Y687 WeakPolarHBondContact O-CB 3.42Å; W684-Y687 PolarHBondContact O-N 3.18Å; W684-Y713 HydrophobicContact CD2-CD1 4.28Å; W684-Y713 HydrophobicContact CD2-CE1 4.06Å; W684-Y713 HydrophobicContact CE3-CD1 4.01Å; W684-Y713 AromaticContact CE3-CE1 3.95Å; W684-Y713 HydrophobicContact CE3-CE1 3.95Å; W684-Y713 AromaticContact CH2-CD1 3.59Å; W684-Y713 HydrophobicContact CH2-CD1 3.59Å; W684-Y713 HydrophobicContact CH2-CE1 4.33Å; W684-Y713 AromaticContact CZ2-CD1 3.88Å; W684-Y713 HydrophobicContact CZ2-CD1 3.88Å; W684-Y713 HydrophobicContact CZ2-CE1 4.43Å; W684-Y713 AromaticContact CZ3-CD1 3.65Å; W684-Y713 HydrophobicContact CZ3-CD1 3.65Å; W684-Y713 HydrophobicContact CZ3-CE1 4.07Å; W684-G717 WeakPolarHBondContact CZ2-O 2.9Å; W684-K720 HydrophobicContact CB-CD 4.45Å; W684-K720 VanDerWaalsContact CB-NZ 3.26Å; W684-K720 HydrophobicContact CD2-CD 3.98Å; W684-K720 HydrophobicContact CD2-CG 4.03Å; W684-K720 HydrophobicContact CG-CD 3.72Å; W684-K720 HydrophobicContact CG-CG 4.31Å; W684-K720 HydrophobicContact CZ2-CB 3.85Å; W684-K720 HydrophobicContact CZ2-CG 4.24Å; W684-F721 HydrophobicContact CH2-CB 3.78Å; W684-F721 AromaticContact CH2-CD2 3.91Å; W684-F721 HydrophobicContact CH2-CD2 3.91Å; W684-F721 HydrophobicContact CH2-CG 4.33Å; W684-F721 HydrophobicContact CZ3-CD2 4.31Å; W684-H727 AromaticContact CE3-CE1 3.83Å; W684-H727 AromaticContact CZ3-CE1 3.45Å; W684-H727 VanDerWaalsContact CZ3-CE1 3.45Å; W684-H727 WeakPolarHBondContact CZ3-CE1 3.08Å; W684-H727 AromaticContact CZ3-ND1 3.84Å; W684-H727 AromaticContact CZ3-NE2 3.97Å |
| 685 | D | 77.5 | Confident | 77.1 | Confident | 117 Ų | 117 | 48.9 Ų | 48.9 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.2 | -34.6 | 173.6 | -68.2 | -19.1 | 0 | 0 | 0 | 111.1 | P681 A682 | P681-D685 PolarHBondContact O-N 3.21Å; A682-D685 WeakPolarHBondContact O-CB 3.47Å; A682-D685 PolarHBondContact O-N 3.15Å; A682-D685 VanDerWaalsContact O-N 3.15Å |
| 686 | F | 76 | Confident | 76.3 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.2 | -29.2 | 178.5 | -164 | -116.9 | 0 | 0 | 0 | 113.4 | L648 A654 F657 L658 I671 A682 L683 W684 S688 S689 I690 | L648-F686 HydrophobicContact CD2-CD1 4.44Å; A654-F686 HydrophobicContact CB-CD2 4.04Å; A654-F686 HydrophobicContact CB-CE2 3.37Å; A654-F686 HydrophobicContact CB-CZ 4.03Å; A654-F686 WeakPolarHBondContact O-CE2 3.36Å; F657-F686 HydrophobicContact CD1-CZ 4.22Å; L658-F686 HydrophobicContact CD1-CE1 4.46Å; L658-F686 HydrophobicContact CD1-CE2 4.08Å; L658-F686 HydrophobicContact CD1-CZ 3.71Å; L658-F686 HydrophobicContact CG-CZ 4.23Å; I671-F686 HydrophobicContact CD1-CD1 4.16Å; I671-F686 HydrophobicContact CD1-CE1 3.62Å; I671-F686 HydrophobicContact CG1-CE1 4.23Å; A682-F686 WeakPolarHBondContact O-CB 3.31Å; A682-F686 PolarHBondContact O-N 3.35Å; L683-F686 PolarHBondContact O-N 3.45Å; W684-F686 PolarHBondContact O-N 3.03Å; F686-S688 PolarHBondContact O-N 3.48Å; F686-S688 VanDerWaalsContact O-N 3.16Å; F686-S689 WeakPolarHBondContact O-CA 3.1Å; F686-S689 VanDerWaalsContact O-CB 3.29Å; F686-S689 WeakPolarHBondContact O-CB 3.39Å; F686-S689 PolarHBondContact O-N 2.71Å; F686-I690 HydrophobicContact CD1-CD1 3.76Å; F686-I690 HydrophobicContact CD1-CG1 3.82Å; F686-I690 HydrophobicContact CE1-CD1 4.03Å; F686-I690 HydrophobicContact CE1-CG1 3.77Å; F686-I690 PolarHBondContact O-N 3.33Å |
| 687 | Y | 80.2 | Confident | 75.2 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.7 | -38.3 | 176.5 | -172.5 | -95.5 | 0 | 0 | 0 | 113.3 | L683 W684 S689 I690 Y691 L710 Y713 F721 H727 Y730 | L683-Y687 PolarHBondContact O-N 3.43Å; W684-Y687 VanDerWaalsContact O-CB 3.32Å; W684-Y687 WeakPolarHBondContact O-CB 3.42Å; W684-Y687 PolarHBondContact O-N 3.18Å; Y687-S689 VanDerWaalsContact C-N 3.3Å; Y687-S689 PolarHBondContact O-N 2.98Å; Y687-I690 PolarHBondContact O-N 3.34Å; Y687-Y691 WeakPolarHBondContact O-CB 3.49Å; Y687-Y691 PolarHBondContact O-N 3.38Å; Y687-L710 HydrophobicContact CE2-CD2 3.7Å; Y687-Y713 AromaticContact CD2-CD1 3.91Å; Y687-Y713 HydrophobicContact CD2-CD1 3.91Å; Y687-Y713 AromaticContact CD2-CD2 3.88Å; Y687-Y713 HydrophobicContact CD2-CD2 3.88Å; Y687-Y713 AromaticContact CD2-CE1 3.77Å; Y687-Y713 HydrophobicContact CD2-CE1 3.77Å; Y687-Y713 AromaticContact CD2-CE2 3.79Å; Y687-Y713 HydrophobicContact CD2-CE2 3.79Å; Y687-Y713 AromaticContact CD2-CG 3.96Å; Y687-Y713 HydrophobicContact CD2-CG 3.96Å; Y687-Y713 AromaticContact CD2-CZ 3.72Å; Y687-Y713 HydrophobicContact CE2-CD1 4.17Å; Y687-Y713 AromaticContact CE2-CD2 3.95Å; Y687-Y713 HydrophobicContact CE2-CD2 3.95Å; Y687-Y713 HydrophobicContact CE2-CE1 4.48Å; Y687-Y713 HydrophobicContact CE2-CE2 4.32Å; Y687-Y713 AromaticContact CE2-CG 3.89Å; Y687-Y713 HydrophobicContact CE2-CG 3.89Å; Y687-Y713 HydrophobicContact CG-CE1 4.38Å; Y687-F721 WeakPolarHBondContact OH-CE2 3.41Å; Y687-H727 AromaticContact CD1-CD2 3.64Å; Y687-H727 AromaticContact CD1-NE2 3.89Å; Y687-H727 HydrophobicContact CE1-CB 4.2Å; Y687-H727 AromaticContact CE1-CD2 3.27Å; Y687-H727 WeakPolarHBondContact CE1-CD2 3.46Å; Y687-H727 AromaticContact CE1-CG 3.87Å; Y687-H727 AromaticContact CE1-NE2 3.97Å; Y687-H727 PolarHBondContact OH-O 2.95Å; Y687-Y730 HydrophobicContact CE1-CE2 4.24Å; Y687-Y730 HydrophobicContact CE2-CE2 4.49Å; Y687-Y730 AromaticContact CZ-CE2 3.72Å; Y687-Y730 AromaticContact CZ-CZ 3.98Å; Y687-Y730 WeakPolarHBondContact OH-CE2 3.34Å |
| 688 | S | 76.8 | Confident | 74.3 | Confident | 78 Ų | 78 | 47.4 Ų | 47.4 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 176.3 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | F686 G692 | F686-S688 PolarHBondContact O-N 3.48Å; F686-S688 VanDerWaalsContact O-N 3.16Å; S688-G692 PolarHBondContact O-N 3.26Å |
| 689 | S | 74.8 | Confident | 73.3 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.8 | -43.6 | 175.7 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | F686 Y687 Y691 G692 A693 | F686-S689 WeakPolarHBondContact O-CA 3.1Å; F686-S689 VanDerWaalsContact O-CB 3.29Å; F686-S689 WeakPolarHBondContact O-CB 3.39Å; F686-S689 PolarHBondContact O-N 2.71Å; Y687-S689 VanDerWaalsContact C-N 3.3Å; Y687-S689 PolarHBondContact O-N 2.98Å; S689-Y691 VanDerWaalsContact C-N 3.35Å; S689-Y691 PolarHBondContact O-N 3.38Å; S689-G692 WeakPolarHBondContact O-CA 3.26Å; S689-G692 PolarHBondContact O-N 3.26Å; S689-G692 VanDerWaalsContact O-N 3.16Å; S689-A693 WeakPolarHBondContact O-CB 3.16Å; S689-A693 PolarHBondContact O-N 3.46Å |
| 690 | I | 75 | Confident | 72.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -50.6 | 173.7 | -62.2 | 172.1 | 0 | 0 | 0 | 109.9 | Y668 I671 F686 Y687 G692 A693 F694 M709 | Y668-I690 HydrophobicContact CE1-CG2 4.2Å; I671-I690 HydrophobicContact CD1-CD1 3.81Å; I671-I690 HydrophobicContact CD1-CG1 4.34Å; I671-I690 HydrophobicContact CG2-CD1 4.39Å; F686-I690 HydrophobicContact CD1-CD1 3.76Å; F686-I690 HydrophobicContact CD1-CG1 3.82Å; F686-I690 HydrophobicContact CE1-CD1 4.03Å; F686-I690 HydrophobicContact CE1-CG1 3.77Å; F686-I690 PolarHBondContact O-N 3.33Å; Y687-I690 PolarHBondContact O-N 3.34Å; I690-G692 VanDerWaalsContact C-N 3.3Å; I690-G692 PolarHBondContact O-N 2.84Å; I690-A693 PolarHBondContact O-N 2.73Å; I690-F694 WeakPolarHBondContact O-CB 3.41Å; I690-F694 PolarHBondContact O-N 2.98Å; I690-M709 HydrophobicContact CD1-CE 3.95Å; I690-M709 HydrophobicContact CD1-SD 3.99Å; I690-M709 HydrophobicContact CG2-CE 3.67Å |
| 691 | Y | 73.8 | Confident | 71.6 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 178.3 | -179.3 | -108.8 | 0 | 0 | 0 | 112.8 | Y687 S689 F694 R695 S729 Y730 | Y687-Y691 WeakPolarHBondContact O-CB 3.49Å; Y687-Y691 PolarHBondContact O-N 3.38Å; S689-Y691 VanDerWaalsContact C-N 3.35Å; S689-Y691 PolarHBondContact O-N 3.38Å; Y691-F694 HydrophobicContact CD2-CD1 4.44Å; Y691-F694 HydrophobicContact CE2-CD1 4.49Å; Y691-R695 HydrophobicContact CE1-CG 4.36Å; Y691-R695 HydrophobicContact CE2-CG 4.23Å; Y691-R695 PolarHBondContact O-N 3.4Å; Y691-R695 VanDerWaalsContact O-N 3.15Å; Y691-S729 VanDerWaalsContact CZ-CB 3.43Å; Y691-S729 WeakPolarHBondContact OH-CB 3.24Å; Y691-Y730 HydrophobicContact CD2-CD1 4.39Å; Y691-Y730 AromaticContact CD2-CE1 3.8Å; Y691-Y730 HydrophobicContact CD2-CE1 3.8Å; Y691-Y730 HydrophobicContact CD2-CE2 4.19Å; Y691-Y730 AromaticContact CD2-CZ 3.7Å; Y691-Y730 HydrophobicContact CE2-CE1 4.5Å |
| 692 | G | 73.4 | Confident | 71.1 | Confident | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S688 S689 I690 R695 Q696 | S688-G692 PolarHBondContact O-N 3.26Å; S689-G692 WeakPolarHBondContact O-CA 3.26Å; S689-G692 PolarHBondContact O-N 3.26Å; S689-G692 VanDerWaalsContact O-N 3.16Å; I690-G692 VanDerWaalsContact C-N 3.3Å; I690-G692 PolarHBondContact O-N 2.84Å; G692-R695 PolarHBondContact O-N 2.87Å; G692-Q696 WeakPolarHBondContact O-CB 2.85Å; G692-Q696 WeakPolarHBondContact O-CG 3.36Å; G692-Q696 PolarHBondContact O-N 3.44Å; G692-Q696 VanDerWaalsContact O-N 3.11Å |
| 693 | A | 69.7 | Low | 71.2 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L658 S689 I690 R695 Q696 C697 | L658-A693 HydrophobicContact CB-CB 3.89Å; L658-A693 HydrophobicContact CD1-CB 4.12Å; L658-A693 HydrophobicContact CD2-CB 3.94Å; L658-A693 HydrophobicContact CG-CB 4.21Å; S689-A693 WeakPolarHBondContact O-CB 3.16Å; S689-A693 PolarHBondContact O-N 3.46Å; I690-A693 PolarHBondContact O-N 2.73Å; A693-R695 VanDerWaalsContact C-N 3.27Å; A693-R695 PolarHBondContact O-N 3.33Å; A693-Q696 PolarHBondContact O-N 3Å; A693-C697 WeakPolarHBondContact O-CB 3.21Å; A693-C697 PolarHBondContact O-N 2.8Å |
| 694 | F | 70.9 | Confident | 71.3 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.3 | -42.6 | 174.4 | 176.3 | -103.9 | 0 | 0 | 0 | 112.3 | I690 Y691 G699 V700 F703 I706 Y730 V733 | I690-F694 WeakPolarHBondContact O-CB 3.41Å; I690-F694 PolarHBondContact O-N 2.98Å; Y691-F694 HydrophobicContact CD2-CD1 4.44Å; Y691-F694 HydrophobicContact CE2-CD1 4.49Å; F694-G699 VanDerWaalsContact CD2-O 3.24Å; F694-G699 WeakPolarHBondContact CD2-O 3.48Å; F694-G699 WeakPolarHBondContact CE2-O 3.49Å; F694-V700 HydrophobicContact CE1-CG2 4.43Å; F694-V700 HydrophobicContact CE2-CB 4.24Å; F694-V700 HydrophobicContact CE2-CG1 4.27Å; F694-V700 HydrophobicContact CE2-CG2 4.1Å; F694-V700 HydrophobicContact CZ-CB 4.27Å; F694-V700 HydrophobicContact CZ-CG1 3.91Å; F694-V700 HydrophobicContact CZ-CG2 3.97Å; F694-F703 AromaticContact CE2-CD2 3.77Å; F694-F703 HydrophobicContact CE2-CD2 3.77Å; F694-F703 HydrophobicContact CE2-CE2 4.36Å; F694-F703 HydrophobicContact CZ-CD2 4.04Å; F694-F703 HydrophobicContact CZ-CE2 4.33Å; F694-I706 HydrophobicContact CD2-CD1 3.53Å; F694-I706 HydrophobicContact CE2-CD1 4.07Å; F694-Y730 AromaticContact CD1-CD1 3.97Å; F694-Y730 HydrophobicContact CD1-CD1 3.97Å; F694-Y730 HydrophobicContact CD1-CE1 4.11Å; F694-Y730 AromaticContact CE1-CD1 3.85Å; F694-Y730 HydrophobicContact CE1-CD1 3.85Å; F694-Y730 HydrophobicContact CE1-CE1 4.46Å; F694-Y730 HydrophobicContact CG-CD1 4.43Å; F694-Y730 HydrophobicContact CG-CE1 4.3Å; F694-Y730 HydrophobicContact CZ-CD1 4.21Å; F694-V733 HydrophobicContact CZ-CG2 3.74Å |
| 695 | R | 70 | Confident | 71.2 | Confident | 127 Ų | 127 | 44 Ų | 44 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.8 | -37.5 | 178.1 | -76.4 | -162.3 | -57.7 | 175 | 3.7 | 114.2 | Y691 G692 A693 | Y691-R695 HydrophobicContact CE1-CG 4.36Å; Y691-R695 HydrophobicContact CE2-CG 4.23Å; Y691-R695 PolarHBondContact O-N 3.4Å; Y691-R695 VanDerWaalsContact O-N 3.15Å; G692-R695 PolarHBondContact O-N 2.87Å; A693-R695 VanDerWaalsContact C-N 3.27Å; A693-R695 PolarHBondContact O-N 3.33Å |
| 696 | Q | 65.8 | Low | 71.5 | Confident | 161 Ų | 161 | 38.4 Ų | 38.4 | 75% | 0.752 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -88.5 | -35.5 | -169.2 | -72.6 | -179.2 | 3 | 0 | 0 | 113.4 | G692 A693 | G692-Q696 WeakPolarHBondContact O-CB 2.85Å; G692-Q696 WeakPolarHBondContact O-CG 3.36Å; G692-Q696 PolarHBondContact O-N 3.44Å; G692-Q696 VanDerWaalsContact O-N 3.11Å; A693-Q696 PolarHBondContact O-N 3Å |
| 697 | C | 57.9 | Low | 72 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 31% | 0.311 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -105.9 | 11.6 | -162.8 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | L661 Y664 A693 G699 | L661-C697 HydrophobicContact CD1-CB 4.44Å; L661-C697 WeakPolarHBondContact CD1-O 3.46Å; Y664-C697 HydrophobicContact CE2-CB 4.27Å; Y664-C697 WeakPolarHBondContact OH-CB 3.44Å; Y664-C697 PolarHBondContact OH-SG 3.39Å; A693-C697 WeakPolarHBondContact O-CB 3.21Å; A693-C697 PolarHBondContact O-N 2.8Å; C697-G699 VanDerWaalsContact C-N 3.31Å; C697-G699 PolarHBondContact O-N 2.88Å |
| 698 | G | 57.9 | Low | 72.4 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | trans | 78.3 | 9.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | V700 E701 | G698-V700 PolarHBondContact O-N 3.39Å; G698-E701 PolarHBondContact O-N 3.26Å | ||
| 699 | G | 57.5 | Low | 72.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 12.7 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | F694 C697 E701 I706 | F694-G699 VanDerWaalsContact CD2-O 3.24Å; F694-G699 WeakPolarHBondContact CD2-O 3.48Å; F694-G699 WeakPolarHBondContact CE2-O 3.49Å; C697-G699 VanDerWaalsContact C-N 3.31Å; C697-G699 PolarHBondContact O-N 2.88Å; G699-E701 VanDerWaalsContact C-N 3.34Å; G699-I706 WeakPolarHBondContact O-CD1 3.15Å |
| 700 | V | 63.4 | Low | 73.5 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -24.4 | 171.5 | -152.5 | 0 | 0 | 0 | 0 | 111 | F694 G698 V733 K736 L738 | F694-V700 HydrophobicContact CE1-CG2 4.43Å; F694-V700 HydrophobicContact CE2-CB 4.24Å; F694-V700 HydrophobicContact CE2-CG1 4.27Å; F694-V700 HydrophobicContact CE2-CG2 4.1Å; F694-V700 HydrophobicContact CZ-CB 4.27Å; F694-V700 HydrophobicContact CZ-CG1 3.91Å; F694-V700 HydrophobicContact CZ-CG2 3.97Å; G698-V700 PolarHBondContact O-N 3.39Å; V700-V733 HydrophobicContact CG1-CB 4.24Å; V700-V733 HydrophobicContact CG1-CG1 4.35Å; V700-V733 HydrophobicContact CG1-CG2 3.92Å; V700-K736 HydrophobicContact CB-CD 4.43Å; V700-K736 HydrophobicContact CG1-CD 4.38Å; V700-K736 HydrophobicContact CG2-CD 3.96Å; V700-L738 HydrophobicContact CB-CD1 4.19Å; V700-L738 HydrophobicContact CB-CD2 4.01Å; V700-L738 HydrophobicContact CG1-CD1 3.26Å; V700-L738 HydrophobicContact CG1-CD2 3.97Å; V700-L738 HydrophobicContact CG1-CG 4.19Å |
| 701 | E | 64.5 | Low | 74.3 | Confident | 143 Ų | 143 | 35.1 Ų | 35.1 | 67% | 0.668 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -42 | 171.7 | -67.9 | 167.9 | -168.9 | 0 | 0 | 110.5 | G698 G699 F703 L738 S742 | G698-E701 PolarHBondContact O-N 3.26Å; G699-E701 VanDerWaalsContact C-N 3.34Å; E701-F703 VanDerWaalsContact C-N 3.31Å; E701-F703 PolarHBondContact O-N 3.24Å; E701-L738 HydrophobicContact CG-CD2 4.41Å; E701-S742 PolarHBondContact O-OG 2.91Å; E701-S742 VanDerWaalsContact O-OG 3.09Å |
| 702 | S | 67.9 | Low | 75 | Confident | 21 Ų | 21 | 34.2 Ų | 34.2 | 15% | 0.147 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 39.4 | 178.1 | 21.5 | 0 | 0 | 0 | 0 | 114.2 | S704 D705 I706 | S702-S704 VanDerWaalsContact C-N 3.31Å; S702-S704 PolarHBondContact O-N 3.19Å; S702-D705 WeakPolarHBondContact CB-OD2 3.18Å; S702-D705 PolarHBondContact O-N 3.02Å; S702-I706 PolarHBondContact O-N 3.2Å |
| 703 | F | 79 | Confident | 75.8 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.8 | -28.2 | -180 | -165.7 | -95.1 | 0 | 0 | 0 | 113.1 | F694 E701 D705 I706 M707 L710 Y730 V733 A746 L749 | F694-F703 AromaticContact CE2-CD2 3.77Å; F694-F703 HydrophobicContact CE2-CD2 3.77Å; F694-F703 HydrophobicContact CE2-CE2 4.36Å; F694-F703 HydrophobicContact CZ-CD2 4.04Å; F694-F703 HydrophobicContact CZ-CE2 4.33Å; E701-F703 VanDerWaalsContact C-N 3.31Å; E701-F703 PolarHBondContact O-N 3.24Å; F703-D705 VanDerWaalsContact C-N 3.29Å; F703-D705 PolarHBondContact O-N 2.84Å; F703-I706 PolarHBondContact O-N 2.84Å; F703-M707 HydrophobicContact CE1-SD 4.45Å; F703-M707 WeakPolarHBondContact O-CB 3.35Å; F703-M707 PolarHBondContact O-N 2.91Å; F703-L710 HydrophobicContact CE2-CD1 3.97Å; F703-L710 HydrophobicContact CZ-CD1 3.95Å; F703-Y730 HydrophobicContact CE2-CD1 4.22Å; F703-V733 HydrophobicContact CD2-CG2 3.59Å; F703-V733 HydrophobicContact CE2-CG2 3.72Å; F703-V733 HydrophobicContact CG-CG2 4.13Å; F703-V733 HydrophobicContact CZ-CG2 4.38Å; F703-A746 HydrophobicContact CD1-CB 4.15Å; F703-A746 VanDerWaalsContact CE1-CA 3.48Å; F703-A746 HydrophobicContact CE1-CB 3.76Å; F703-A746 HydrophobicContact CZ-CB 4.18Å; F703-L749 HydrophobicContact CZ-CD2 3.97Å |
| 704 | S | 82 | Confident | 76.7 | Confident | 29 Ų | 29 | 33.1 Ų | 33.1 | 20% | 0.203 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.1 | -45.8 | 172.3 | 48.3 | 0 | 0 | 0 | 0 | 111.3 | S702 I706 M707 P708 Y745 | S702-S704 VanDerWaalsContact C-N 3.31Å; S702-S704 PolarHBondContact O-N 3.19Å; S704-I706 PolarHBondContact O-N 3.31Å; S704-M707 PolarHBondContact O-N 3.26Å; S704-P708 VanDerWaalsContact O-CD 3.23Å; S704-P708 WeakPolarHBondContact O-CD 3.1Å; S704-Y745 VanDerWaalsContact CB-CE2 3.49Å |
| 705 | D | 80.5 | Confident | 77.6 | Confident | 54 Ų | 54 | 33.8 Ų | 33.8 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70.1 | -32.2 | -178.9 | -50.3 | -45.4 | 0 | 0 | 0 | 112.6 | Y668 S702 F703 | Y668-D705 VanDerWaalsContact CB-O 3.32Å; Y668-D705 WeakPolarHBondContact CB-O 3.49Å; Y668-D705 HydrophobicContact CD2-CB 3.82Å; S702-D705 WeakPolarHBondContact CB-OD2 3.18Å; S702-D705 PolarHBondContact O-N 3.02Å; F703-D705 VanDerWaalsContact C-N 3.29Å; F703-D705 PolarHBondContact O-N 2.84Å |
| 706 | I | 83.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.1 | -29.4 | 179.5 | -67 | 173.7 | 0 | 0 | 0 | 111.5 | Y668 F694 G699 S702 F703 S704 M709 L710 | Y668-I706 HydrophobicContact CD1-CG1 4.22Å; Y668-I706 HydrophobicContact CD2-CB 4.42Å; Y668-I706 HydrophobicContact CD2-CG1 3.45Å; Y668-I706 VanDerWaalsContact CD2-CG1 3.45Å; Y668-I706 HydrophobicContact CE1-CD1 4.45Å; Y668-I706 HydrophobicContact CE1-CG1 3.93Å; Y668-I706 HydrophobicContact CE2-CB 4.42Å; Y668-I706 HydrophobicContact CE2-CD1 3.7Å; Y668-I706 HydrophobicContact CE2-CG1 3.09Å; Y668-I706 HydrophobicContact CG-CG1 4.01Å; F694-I706 HydrophobicContact CD2-CD1 3.53Å; F694-I706 HydrophobicContact CE2-CD1 4.07Å; G699-I706 WeakPolarHBondContact O-CD1 3.15Å; S702-I706 PolarHBondContact O-N 3.2Å; F703-I706 PolarHBondContact O-N 2.84Å; S704-I706 PolarHBondContact O-N 3.31Å; I706-M709 HydrophobicContact CG2-CE 3.91Å; I706-M709 PolarHBondContact O-N 3.5Å; I706-L710 HydrophobicContact CG2-CD1 3.49Å; I706-L710 VanDerWaalsContact CG2-CD1 3.49Å; I706-L710 HydrophobicContact CG2-CD2 4.4Å; I706-L710 HydrophobicContact CG2-CG 3.59Å; I706-L710 PolarHBondContact O-N 3.4Å |
| 707 | M | 87.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | -169.7 | 176.6 | 57.5 | -176.9 | 0 | 0 | 114.1 | F703 S704 M709 L710 Y711 Y745 K748 L749 Y959 | F703-M707 HydrophobicContact CE1-SD 4.45Å; F703-M707 WeakPolarHBondContact O-CB 3.35Å; F703-M707 PolarHBondContact O-N 2.91Å; S704-M707 PolarHBondContact O-N 3.26Å; M707-M709 VanDerWaalsContact C-N 3.27Å; M707-M709 PolarHBondContact O-N 3.2Å; M707-L710 PolarHBondContact O-N 3.16Å; M707-L710 VanDerWaalsContact O-N 3.15Å; M707-Y711 WeakPolarHBondContact O-CB 3.39Å; M707-Y711 PolarHBondContact O-N 3.12Å; M707-Y745 HydrophobicContact CB-CD1 3.99Å; M707-Y745 HydrophobicContact CB-CG 4.36Å; M707-Y745 HydrophobicContact CG-CD1 3.81Å; M707-Y745 HydrophobicContact CG-CG 4.41Å; M707-K748 HydrophobicContact CE-CB 4.44Å; M707-K748 HydrophobicContact CE-CG 4.25Å; M707-L749 HydrophobicContact CE-CB 3.73Å; M707-L749 HydrophobicContact CE-CD1 3.87Å; M707-L749 HydrophobicContact CE-CG 4.36Å; M707-L749 HydrophobicContact SD-CB 3.61Å; M707-L749 HydrophobicContact SD-CD1 3.79Å; M707-L749 HydrophobicContact SD-CD2 4.16Å; M707-L749 HydrophobicContact SD-CG 4.03Å; M707-Y959 HydrophobicContact CE-CD1 4.15Å; M707-Y959 HydrophobicContact CE-CD2 4.39Å; M707-Y959 HydrophobicContact CE-CE1 4.33Å; M707-Y959 HydrophobicContact CE-CG 4.18Å; M707-Y959 HydrophobicContact CG-CE1 3.97Å; M707-Y959 HydrophobicContact CG-CE2 4.19Å |
| 708 | P | 89.4 | Confident | 80.6 | Confident | 40 Ų | 40 | 24 Ų | 24 | 26% | 0.26 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -54.8 | -42.5 | 178.1 | -25.7 | 33.4 | 0 | 0 | 0 | 113.3 | C672 S704 Y711 N712 Y959 | C672-P708 VanDerWaalsContact SG-CB 3.57Å; S704-P708 VanDerWaalsContact O-CD 3.23Å; S704-P708 WeakPolarHBondContact O-CD 3.1Å; P708-Y711 PolarHBondContact O-N 3.27Å; P708-N712 PolarHBondContact O-N 3.42Å; P708-Y959 HydrophobicContact CG-CE1 4.45Å |
| 709 | M | 86.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 178.5 | 170.5 | -93.2 | -67.1 | 0 | 0 | 111.5 | Y668 I671 C672 N675 I690 I706 M707 N712 Y713 | Y668-M709 HydrophobicContact CD1-CE 3.61Å; Y668-M709 HydrophobicContact CE1-CE 4.09Å; Y668-M709 HydrophobicContact CG-CE 4.33Å; I671-M709 HydrophobicContact CB-CG 4.02Å; I671-M709 HydrophobicContact CG2-CG 3.49Å; I671-M709 VanDerWaalsContact CG2-CG 3.49Å; I671-M709 HydrophobicContact CG2-SD 4.41Å; C672-M709 HydrophobicContact CB-CB 4.26Å; N675-M709 PolarHBondContact ND2-O 2.95Å; I690-M709 HydrophobicContact CD1-CE 3.95Å; I690-M709 HydrophobicContact CD1-SD 3.99Å; I690-M709 HydrophobicContact CG2-CE 3.67Å; I706-M709 HydrophobicContact CG2-CE 3.91Å; I706-M709 PolarHBondContact O-N 3.5Å; M707-M709 VanDerWaalsContact C-N 3.27Å; M707-M709 PolarHBondContact O-N 3.2Å; M709-N712 PolarHBondContact O-N 2.91Å; M709-Y713 HydrophobicContact CG-CD2 4.23Å; M709-Y713 HydrophobicContact CG-CE2 3.94Å; M709-Y713 VanDerWaalsContact O-CD2 3.22Å; M709-Y713 WeakPolarHBondContact O-CD2 3.08Å; M709-Y713 PolarHBondContact O-N 2.98Å; M709-Y713 HydrophobicContact SD-CD2 3.78Å; M709-Y713 HydrophobicContact SD-CE2 3.59Å; M709-Y713 VanDerWaalsContact SD-CE2 3.59Å |
| 710 | L | 88.1 | Confident | 83 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 176.2 | -71 | -177.6 | 0 | 0 | 0 | 112.8 | Y687 F703 I706 M707 N712 Y713 V714 Y730 L749 | Y687-L710 HydrophobicContact CE2-CD2 3.7Å; F703-L710 HydrophobicContact CE2-CD1 3.97Å; F703-L710 HydrophobicContact CZ-CD1 3.95Å; I706-L710 HydrophobicContact CG2-CD1 3.49Å; I706-L710 VanDerWaalsContact CG2-CD1 3.49Å; I706-L710 HydrophobicContact CG2-CD2 4.4Å; I706-L710 HydrophobicContact CG2-CG 3.59Å; I706-L710 PolarHBondContact O-N 3.4Å; M707-L710 PolarHBondContact O-N 3.16Å; M707-L710 VanDerWaalsContact O-N 3.15Å; L710-N712 VanDerWaalsContact C-N 3.29Å; L710-N712 PolarHBondContact O-N 3Å; L710-Y713 WeakPolarHBondContact O-CA 3.25Å; L710-Y713 WeakPolarHBondContact O-CB 3.15Å; L710-Y713 PolarHBondContact O-N 3.11Å; L710-Y713 VanDerWaalsContact O-N 3.09Å; L710-V714 PolarHBondContact O-N 3.34Å; L710-Y730 HydrophobicContact CD1-CD1 3.9Å; L710-Y730 HydrophobicContact CD1-CD2 4.29Å; L710-Y730 HydrophobicContact CD1-CE1 3.97Å; L710-Y730 HydrophobicContact CD1-CE2 4.41Å; L710-Y730 HydrophobicContact CD1-CG 4.04Å; L710-Y730 HydrophobicContact CD2-CE1 4.17Å; L710-Y730 HydrophobicContact CD2-CE2 3.94Å; L710-L749 HydrophobicContact CB-CD1 4.31Å; L710-L749 HydrophobicContact CB-CD2 3.99Å; L710-L749 HydrophobicContact CD1-CD2 3.75Å |
| 711 | Y | 91.2 | Very high | 83.9 | Confident | 27 Ų | 27 | 32.7 Ų | 32.7 | 11% | 0.106 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55 | -47.5 | 174.7 | 170.4 | -93.5 | 0 | 0 | 0 | 110.6 | M707 P708 Y713 V714 T715 V752 Y959 E960 | M707-Y711 WeakPolarHBondContact O-CB 3.39Å; M707-Y711 PolarHBondContact O-N 3.12Å; P708-Y711 PolarHBondContact O-N 3.27Å; Y711-Y713 VanDerWaalsContact C-N 3.34Å; Y711-Y713 PolarHBondContact O-N 3.45Å; Y711-V714 PolarHBondContact O-N 3.46Å; Y711-V714 VanDerWaalsContact O-N 3.07Å; Y711-T715 HydrophobicContact CD1-CG2 4.46Å; Y711-T715 HydrophobicContact CD2-CG2 4.01Å; Y711-T715 HydrophobicContact CE1-CG2 4.04Å; Y711-T715 HydrophobicContact CE2-CG2 3.56Å; Y711-T715 HydrophobicContact CG-CG2 4.44Å; Y711-T715 PolarHBondContact O-N 2.9Å; Y711-T715 PolarHBondContact O-OG1 3.4Å; Y711-V752 HydrophobicContact CD2-CG1 3.95Å; Y711-V752 HydrophobicContact CD2-CG2 4.15Å; Y711-V752 HydrophobicContact CE2-CG1 3.98Å; Y711-V752 HydrophobicContact CE2-CG2 4.22Å; Y711-Y959 HydrophobicContact CD1-CD1 4.29Å; Y711-Y959 AromaticContact CD2-CD1 3.84Å; Y711-Y959 HydrophobicContact CD2-CD1 3.84Å; Y711-Y959 HydrophobicContact CD2-CG 4.33Å; Y711-Y959 HydrophobicContact CE2-CD1 4.38Å; Y711-Y959 AromaticContact CG-CD1 3.79Å; Y711-Y959 HydrophobicContact CG-CD1 3.79Å; Y711-E960 WeakPolarHBondContact CE2-O 3.49Å; Y711-E960 PolarHBondContact OH-N 3.15Å; Y711-E960 PolarHBondContact OH-O 3.16Å |
| 712 | N | 89.3 | Confident | 84.8 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.2 | -68 | -16.4 | 0 | 0 | 0 | 112.2 | C672 N675 I679 P708 M709 L710 V714 T715 V716 G717 | C672-N712 PolarHBondContact O-ND2 2.99Å; C672-N712 PolarHBondContact SG-ND2 2.77Å; C672-N712 VanDerWaalsContact SG-ND2 3.38Å; N675-N712 HydrophobicContact CB-CB 4.45Å; N675-N712 VanDerWaalsContact CG-CB 3.46Å; N675-N712 WeakPolarHBondContact OD1-CB 3.29Å; N675-N712 PolarHBondContact OD1-ND2 3.46Å; I679-N712 WeakPolarHBondContact CD1-O 3.33Å; P708-N712 PolarHBondContact O-N 3.42Å; M709-N712 PolarHBondContact O-N 2.91Å; L710-N712 VanDerWaalsContact C-N 3.29Å; L710-N712 PolarHBondContact O-N 3Å; N712-V714 PolarHBondContact O-N 3.01Å; N712-T715 PolarHBondContact O-N 2.94Å; N712-V716 HydrophobicContact CB-CG2 4.48Å; N712-V716 WeakPolarHBondContact O-CA 3.45Å; N712-V716 VanDerWaalsContact O-CB 3.24Å; N712-V716 WeakPolarHBondContact O-CB 3.42Å; N712-V716 PolarHBondContact O-N 2.95Å; N712-G717 PolarHBondContact O-N 2.89Å |
| 713 | Y | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -36.3 | 172.3 | -82.6 | -79.1 | 0 | 0 | 0 | 113.6 | I671 N675 I679 L683 W684 Y687 M709 L710 Y711 G717 | I671-Y713 HydrophobicContact CG2-CE2 4.5Å; N675-Y713 VanDerWaalsContact ND2-CD2 3.3Å; N675-Y713 WeakPolarHBondContact ND2-CD2 3.32Å; N675-Y713 VanDerWaalsContact ND2-CE2 3.25Å; N675-Y713 WeakPolarHBondContact ND2-CE2 3.05Å; I679-Y713 HydrophobicContact CD1-CD1 3.54Å; I679-Y713 HydrophobicContact CD1-CE1 4.13Å; I679-Y713 HydrophobicContact CD1-CG 3.94Å; I679-Y713 HydrophobicContact CG2-CD1 3.93Å; I679-Y713 HydrophobicContact CG2-CE1 3.5Å; L683-Y713 PolarHBondContact O-OH 3.48Å; W684-Y713 HydrophobicContact CD2-CD1 4.28Å; W684-Y713 HydrophobicContact CD2-CE1 4.06Å; W684-Y713 HydrophobicContact CE3-CD1 4.01Å; W684-Y713 AromaticContact CE3-CE1 3.95Å; W684-Y713 HydrophobicContact CE3-CE1 3.95Å; W684-Y713 AromaticContact CH2-CD1 3.59Å; W684-Y713 HydrophobicContact CH2-CD1 3.59Å; W684-Y713 HydrophobicContact CH2-CE1 4.33Å; W684-Y713 AromaticContact CZ2-CD1 3.88Å; W684-Y713 HydrophobicContact CZ2-CD1 3.88Å; W684-Y713 HydrophobicContact CZ2-CE1 4.43Å; W684-Y713 AromaticContact CZ3-CD1 3.65Å; W684-Y713 HydrophobicContact CZ3-CD1 3.65Å; W684-Y713 HydrophobicContact CZ3-CE1 4.07Å; Y687-Y713 AromaticContact CD2-CD1 3.91Å; Y687-Y713 HydrophobicContact CD2-CD1 3.91Å; Y687-Y713 AromaticContact CD2-CD2 3.88Å; Y687-Y713 HydrophobicContact CD2-CD2 3.88Å; Y687-Y713 AromaticContact CD2-CE1 3.77Å; Y687-Y713 HydrophobicContact CD2-CE1 3.77Å; Y687-Y713 AromaticContact CD2-CE2 3.79Å; Y687-Y713 HydrophobicContact CD2-CE2 3.79Å; Y687-Y713 AromaticContact CD2-CG 3.96Å; Y687-Y713 HydrophobicContact CD2-CG 3.96Å; Y687-Y713 AromaticContact CD2-CZ 3.72Å; Y687-Y713 HydrophobicContact CE2-CD1 4.17Å; Y687-Y713 AromaticContact CE2-CD2 3.95Å; Y687-Y713 HydrophobicContact CE2-CD2 3.95Å; Y687-Y713 HydrophobicContact CE2-CE1 4.48Å; Y687-Y713 HydrophobicContact CE2-CE2 4.32Å; Y687-Y713 AromaticContact CE2-CG 3.89Å; Y687-Y713 HydrophobicContact CE2-CG 3.89Å; Y687-Y713 HydrophobicContact CG-CE1 4.38Å; M709-Y713 HydrophobicContact CG-CD2 4.23Å; M709-Y713 HydrophobicContact CG-CE2 3.94Å; M709-Y713 VanDerWaalsContact O-CD2 3.22Å; M709-Y713 WeakPolarHBondContact O-CD2 3.08Å; M709-Y713 PolarHBondContact O-N 2.98Å; M709-Y713 HydrophobicContact SD-CD2 3.78Å; M709-Y713 HydrophobicContact SD-CE2 3.59Å; M709-Y713 VanDerWaalsContact SD-CE2 3.59Å; L710-Y713 WeakPolarHBondContact O-CA 3.25Å; L710-Y713 WeakPolarHBondContact O-CB 3.15Å; L710-Y713 PolarHBondContact O-N 3.11Å; L710-Y713 VanDerWaalsContact O-N 3.09Å; Y711-Y713 VanDerWaalsContact C-N 3.34Å; Y711-Y713 PolarHBondContact O-N 3.45Å; Y713-G717 CarbonylContact O-C 3.56Å; Y713-G717 VanDerWaalsContact O-CA 3.29Å; Y713-G717 WeakPolarHBondContact O-CA 3.28Å; Y713-G717 PolarHBondContact O-N 2.89Å |
| 714 | V | 89.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.4 | -46.8 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | L710 Y711 N712 Q718 F721 L749 V752 V753 Q756 F757 | L710-V714 PolarHBondContact O-N 3.34Å; Y711-V714 PolarHBondContact O-N 3.46Å; Y711-V714 VanDerWaalsContact O-N 3.07Å; N712-V714 PolarHBondContact O-N 3.01Å; V714-Q718 WeakPolarHBondContact O-CG 3.46Å; V714-F721 HydrophobicContact CG2-CD2 4.39Å; V714-F721 HydrophobicContact CG2-CE1 4.38Å; V714-F721 HydrophobicContact CG2-CE2 3.93Å; V714-F721 HydrophobicContact CG2-CZ 3.94Å; V714-L749 HydrophobicContact CG2-CD1 4.11Å; V714-V752 HydrophobicContact CG1-CG1 3.92Å; V714-V753 HydrophobicContact CB-CG2 4.49Å; V714-V753 HydrophobicContact CG1-CG2 3.93Å; V714-V753 HydrophobicContact CG2-CG2 3.72Å; V714-Q756 HydrophobicContact CG1-CB 4.08Å; V714-Q756 HydrophobicContact CG1-CG 4.13Å; V714-F757 HydrophobicContact CG1-CE2 3.78Å; V714-F757 HydrophobicContact CG1-CZ 4.16Å |
| 715 | T | 89.1 | Confident | 84.8 | Confident | 16 Ų | 16 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -85.5 | -33.8 | -170.4 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | Y711 N712 Q718 V752 | Y711-T715 HydrophobicContact CD1-CG2 4.46Å; Y711-T715 HydrophobicContact CD2-CG2 4.01Å; Y711-T715 HydrophobicContact CE1-CG2 4.04Å; Y711-T715 HydrophobicContact CE2-CG2 3.56Å; Y711-T715 HydrophobicContact CG-CG2 4.44Å; Y711-T715 PolarHBondContact O-N 2.9Å; Y711-T715 PolarHBondContact O-OG1 3.4Å; N712-T715 PolarHBondContact O-N 2.94Å; T715-Q718 PolarHBondContact O-NE2 3.43Å; T715-V752 HydrophobicContact CG2-CG1 4.01Å |
| 716 | V | 87.4 | Confident | 84.3 | Confident | 54 Ų | 54 | 42 Ų | 42 | 33% | 0.327 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -39.8 | 179.5 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | F676 L677 I679 N712 Q718 | F676-V716 WeakPolarHBondContact O-CG2 3.44Å; L677-V716 WeakPolarHBondContact O-CG1 3.22Å; I679-V716 HydrophobicContact CD1-CB 4.33Å; I679-V716 HydrophobicContact CG1-CB 4.15Å; I679-V716 HydrophobicContact CG1-CG1 4.07Å; N712-V716 HydrophobicContact CB-CG2 4.48Å; N712-V716 WeakPolarHBondContact O-CA 3.45Å; N712-V716 VanDerWaalsContact O-CB 3.24Å; N712-V716 WeakPolarHBondContact O-CB 3.42Å; N712-V716 PolarHBondContact O-N 2.95Å; V716-Q718 PolarHBondContact O-N 3.17Å |
| 717 | G | 84.4 | Confident | 83.9 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -87.2 | 14.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | I679 W684 N712 Y713 N719 K720 F721 | I679-G717 VanDerWaalsContact CD1-CA 3.49Å; W684-G717 WeakPolarHBondContact CZ2-O 2.9Å; N712-G717 PolarHBondContact O-N 2.89Å; Y713-G717 CarbonylContact O-C 3.56Å; Y713-G717 VanDerWaalsContact O-CA 3.29Å; Y713-G717 WeakPolarHBondContact O-CA 3.28Å; Y713-G717 PolarHBondContact O-N 2.89Å; G717-N719 PolarHBondContact O-N 3.37Å; G717-N719 VanDerWaalsContact O-N 3.16Å; G717-K720 PolarHBondContact O-N 3.33Å; G717-K720 VanDerWaalsContact O-N 3.16Å; G717-F721 PolarHBondContact O-N 3.02Å |
| 718 | Q | 84.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -42.4 | -57.2 | -161.1 | -68.9 | 173.9 | 51.9 | 0 | 0 | 115.9 | V714 T715 V716 K720 F721 L722 Q756 F757 | V714-Q718 WeakPolarHBondContact O-CG 3.46Å; T715-Q718 PolarHBondContact O-NE2 3.43Å; V716-Q718 PolarHBondContact O-N 3.17Å; Q718-K720 VanDerWaalsContact C-N 3.34Å; Q718-K720 PolarHBondContact O-N 3.02Å; Q718-F721 PolarHBondContact O-N 3.1Å; Q718-L722 PolarHBondContact O-N 3.16Å; Q718-Q756 HydrophobicContact CG-CG 4.08Å; Q718-F757 HydrophobicContact CB-CE1 3.79Å; Q718-F757 HydrophobicContact CG-CE1 3.95Å; Q718-F757 HydrophobicContact CG-CZ 4.47Å |
| 719 | N | 83.4 | Confident | 81.8 | Confident | 135 Ų | 135 | 43.7 Ų | 43.7 | 72% | 0.722 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.1 | -42.3 | -172.8 | -67 | -28.5 | 0 | 0 | 0 | 112.6 | G717 | G717-N719 PolarHBondContact O-N 3.37Å; G717-N719 VanDerWaalsContact O-N 3.16Å |
| 720 | K | 81.5 | Confident | 80.7 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 32% | 0.317 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -82.3 | -26.7 | -176.8 | -169.7 | 164.1 | 173.2 | -164.6 | 0 | 112 | W684 G717 Q718 L722 E723 | W684-K720 HydrophobicContact CB-CD 4.45Å; W684-K720 VanDerWaalsContact CB-NZ 3.26Å; W684-K720 HydrophobicContact CD2-CD 3.98Å; W684-K720 HydrophobicContact CD2-CG 4.03Å; W684-K720 HydrophobicContact CG-CD 3.72Å; W684-K720 HydrophobicContact CG-CG 4.31Å; W684-K720 HydrophobicContact CZ2-CB 3.85Å; W684-K720 HydrophobicContact CZ2-CG 4.24Å; G717-K720 PolarHBondContact O-N 3.33Å; G717-K720 VanDerWaalsContact O-N 3.16Å; Q718-K720 VanDerWaalsContact C-N 3.34Å; Q718-K720 PolarHBondContact O-N 3.02Å; K720-L722 PolarHBondContact O-N 3.49Å; K720-E723 PolarHBondContact O-N 2.87Å |
| 721 | F | 83.5 | Confident | 79.5 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | 171.6 | -166.4 | -88.6 | 0 | 0 | 0 | 111.3 | W684 Y687 V714 G717 Q718 E723 H727 F728 F757 | W684-F721 HydrophobicContact CH2-CB 3.78Å; W684-F721 AromaticContact CH2-CD2 3.91Å; W684-F721 HydrophobicContact CH2-CD2 3.91Å; W684-F721 HydrophobicContact CH2-CG 4.33Å; W684-F721 HydrophobicContact CZ3-CD2 4.31Å; Y687-F721 WeakPolarHBondContact OH-CE2 3.41Å; V714-F721 HydrophobicContact CG2-CD2 4.39Å; V714-F721 HydrophobicContact CG2-CE1 4.38Å; V714-F721 HydrophobicContact CG2-CE2 3.93Å; V714-F721 HydrophobicContact CG2-CZ 3.94Å; G717-F721 PolarHBondContact O-N 3.02Å; Q718-F721 PolarHBondContact O-N 3.1Å; F721-E723 VanDerWaalsContact C-N 3.31Å; F721-E723 PolarHBondContact O-N 3.11Å; F721-H727 HydrophobicContact CD1-CB 4.37Å; F721-H727 HydrophobicContact CD2-CB 4.18Å; F721-H727 HydrophobicContact CE1-CB 4.06Å; F721-H727 HydrophobicContact CE2-CB 3.86Å; F721-H727 HydrophobicContact CG-CB 4.43Å; F721-H727 HydrophobicContact CZ-CB 3.79Å; F721-H727 PolarHBondContact O-ND1 3.11Å; F721-F728 HydrophobicContact CD1-CE2 4.44Å; F721-F728 HydrophobicContact CD1-CZ 4.13Å; F721-F728 HydrophobicContact CE1-CD1 4.17Å; F721-F728 HydrophobicContact CE1-CD2 4.48Å; F721-F728 AromaticContact CE1-CE1 3.84Å; F721-F728 HydrophobicContact CE1-CE1 3.84Å; F721-F728 HydrophobicContact CE1-CE2 4.15Å; F721-F728 HydrophobicContact CE1-CG 4.49Å; F721-F728 AromaticContact CE1-CZ 3.82Å; F721-F728 HydrophobicContact CE1-CZ 3.82Å; F721-F757 HydrophobicContact CB-CZ 4.08Å; F721-F757 AromaticContact CD1-CE2 3.73Å; F721-F757 HydrophobicContact CD1-CE2 3.73Å; F721-F757 AromaticContact CD1-CZ 3.78Å; F721-F757 HydrophobicContact CD1-CZ 3.78Å; F721-F757 HydrophobicContact CE1-CE2 4.13Å; F721-F757 HydrophobicContact CG-CE2 4.47Å; F721-F757 HydrophobicContact CG-CZ 4.15Å |
| 722 | L | 83.5 | Confident | 78.3 | Confident | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.6 | -179.7 | -67.9 | 174.1 | 0 | 0 | 0 | 114.9 | Q718 K720 F728 F757 Q760 I761 | Q718-L722 PolarHBondContact O-N 3.16Å; K720-L722 PolarHBondContact O-N 3.49Å; L722-F728 HydrophobicContact CD2-CZ 4.14Å; L722-F757 HydrophobicContact CD1-CD1 3.78Å; L722-F757 HydrophobicContact CD1-CE1 4.05Å; L722-F757 HydrophobicContact CD2-CB 4.37Å; L722-F757 HydrophobicContact CD2-CD1 3.8Å; L722-F757 HydrophobicContact CD2-CD2 4.29Å; L722-F757 HydrophobicContact CD2-CE1 4.09Å; L722-F757 HydrophobicContact CD2-CG 3.91Å; L722-F757 HydrophobicContact CD2-CZ 4.47Å; L722-F757 HydrophobicContact CG-CD1 3.87Å; L722-F757 HydrophobicContact CG-CE1 3.84Å; L722-F757 HydrophobicContact CG-CG 4.48Å; L722-F757 HydrophobicContact CG-CZ 4.44Å; L722-Q760 HydrophobicContact CD1-CB 4.3Å; L722-I761 HydrophobicContact CD2-CG2 3.6Å |
| 723 | E | 81.7 | Confident | 77.1 | Confident | 145 Ų | 145 | 48.6 Ų | 48.6 | 68% | 0.678 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -30.1 | -176.2 | -69.6 | 177.8 | 176.2 | 0 | 0 | 113.2 | K720 F721 | K720-E723 PolarHBondContact O-N 2.87Å; F721-E723 VanDerWaalsContact C-N 3.31Å; F721-E723 PolarHBondContact O-N 3.11Å |
| 724 | D | 77.5 | Confident | 75.8 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | trans | -114.6 | 112.6 | 179.6 | -170.9 | -9.5 | 0 | 0 | 0 | 111.4 | N726 H727 | D724-N726 PolarHBondContact O-N 3.06Å; D724-N726 VanDerWaalsContact O-N 3.09Å; D724-N726 VanDerWaalsContact OD1-CB 3.26Å; D724-N726 WeakPolarHBondContact OD1-CB 3.46Å; D724-N726 PolarHBondContact OD1-N 3.38Å; D724-N726 PolarHBondContact OD1-ND2 3.11Å; D724-H727 WeakPolarHBondContact O-CB 3.14Å; D724-H727 PolarHBondContact O-N 3.47Å | ||
| 725 | P | 69.6 | Low | 74.7 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 66% | 0.662 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -56 | -26 | 174.9 | -23.4 | 32.5 | 0 | 0 | 0 | 114 | H727 F728 | P725-H727 PolarHBondContact O-N 3.1Å; P725-F728 PolarHBondContact O-N 3.37Å |
| 726 | N | 70.2 | Confident | 73.6 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -66.8 | -20.8 | 179.6 | -62.5 | -54.2 | 0 | 0 | 0 | 112.4 | D724 F728 S729 | D724-N726 PolarHBondContact O-N 3.06Å; D724-N726 VanDerWaalsContact O-N 3.09Å; D724-N726 VanDerWaalsContact OD1-CB 3.26Å; D724-N726 WeakPolarHBondContact OD1-CB 3.46Å; D724-N726 PolarHBondContact OD1-N 3.38Å; D724-N726 PolarHBondContact OD1-ND2 3.11Å; N726-F728 PolarHBondContact O-N 2.87Å; N726-F728 VanDerWaalsContact O-N 3.15Å; N726-S729 WeakPolarHBondContact O-CB 3.43Å; N726-S729 PolarHBondContact O-N 3.5Å; N726-S729 PolarHBondContact O-OG 2.94Å |
| 727 | H | 73.9 | Confident | 72.3 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -62.3 | -21.1 | 177 | -64 | 163.8 | 0 | 0 | 0 | 113 | W684 Y687 F721 D724 P725 S729 Y730 | W684-H727 AromaticContact CE3-CE1 3.83Å; W684-H727 AromaticContact CZ3-CE1 3.45Å; W684-H727 VanDerWaalsContact CZ3-CE1 3.45Å; W684-H727 WeakPolarHBondContact CZ3-CE1 3.08Å; W684-H727 AromaticContact CZ3-ND1 3.84Å; W684-H727 AromaticContact CZ3-NE2 3.97Å; Y687-H727 AromaticContact CD1-CD2 3.64Å; Y687-H727 AromaticContact CD1-NE2 3.89Å; Y687-H727 HydrophobicContact CE1-CB 4.2Å; Y687-H727 AromaticContact CE1-CD2 3.27Å; Y687-H727 WeakPolarHBondContact CE1-CD2 3.46Å; Y687-H727 AromaticContact CE1-CG 3.87Å; Y687-H727 AromaticContact CE1-NE2 3.97Å; Y687-H727 PolarHBondContact OH-O 2.95Å; F721-H727 HydrophobicContact CD1-CB 4.37Å; F721-H727 HydrophobicContact CD2-CB 4.18Å; F721-H727 HydrophobicContact CE1-CB 4.06Å; F721-H727 HydrophobicContact CE2-CB 3.86Å; F721-H727 HydrophobicContact CG-CB 4.43Å; F721-H727 HydrophobicContact CZ-CB 3.79Å; F721-H727 PolarHBondContact O-ND1 3.11Å; D724-H727 WeakPolarHBondContact O-CB 3.14Å; D724-H727 PolarHBondContact O-N 3.47Å; P725-H727 PolarHBondContact O-N 3.1Å; H727-S729 VanDerWaalsContact C-N 3.29Å; H727-S729 PolarHBondContact O-N 3.49Å; H727-Y730 WeakPolarHBondContact O-CD2 3.44Å; H727-Y730 WeakPolarHBondContact O-CE2 3.41Å |
| 728 | F | 67.7 | Low | 71.2 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -83.9 | 5 | 175 | -64.7 | -85.7 | 0 | 0 | 0 | 114.1 | F721 L722 P725 N726 Y730 R731 V753 I761 | F721-F728 HydrophobicContact CD1-CE2 4.44Å; F721-F728 HydrophobicContact CD1-CZ 4.13Å; F721-F728 HydrophobicContact CE1-CD1 4.17Å; F721-F728 HydrophobicContact CE1-CD2 4.48Å; F721-F728 AromaticContact CE1-CE1 3.84Å; F721-F728 HydrophobicContact CE1-CE1 3.84Å; F721-F728 HydrophobicContact CE1-CE2 4.15Å; F721-F728 HydrophobicContact CE1-CG 4.49Å; F721-F728 AromaticContact CE1-CZ 3.82Å; F721-F728 HydrophobicContact CE1-CZ 3.82Å; L722-F728 HydrophobicContact CD2-CZ 4.14Å; P725-F728 PolarHBondContact O-N 3.37Å; N726-F728 PolarHBondContact O-N 2.87Å; N726-F728 VanDerWaalsContact O-N 3.15Å; F728-Y730 VanDerWaalsContact C-N 3.27Å; F728-Y730 PolarHBondContact O-N 3.23Å; F728-R731 WeakPolarHBondContact O-CG 3.45Å; F728-V753 HydrophobicContact CD1-CG1 4.18Å; F728-V753 HydrophobicContact CE1-CG1 3.64Å; F728-I761 HydrophobicContact CE1-CG2 4.45Å; F728-I761 HydrophobicContact CZ-CG2 3.94Å |
| 729 | S | 64.9 | Low | 70.7 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -77.5 | -1.5 | -169.2 | -54.9 | 0 | 0 | 0 | 0 | 115.7 | Y691 N726 H727 R731 Q732 | Y691-S729 VanDerWaalsContact CZ-CB 3.43Å; Y691-S729 WeakPolarHBondContact OH-CB 3.24Å; N726-S729 WeakPolarHBondContact O-CB 3.43Å; N726-S729 PolarHBondContact O-N 3.5Å; N726-S729 PolarHBondContact O-OG 2.94Å; H727-S729 VanDerWaalsContact C-N 3.29Å; H727-S729 PolarHBondContact O-N 3.49Å; S729-R731 PolarHBondContact O-N 3.19Å; S729-R731 VanDerWaalsContact O-N 3.09Å; S729-Q732 PolarHBondContact O-N 2.79Å |
| 730 | Y | 63.5 | Low | 70.5 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -67.1 | -4.1 | 174.3 | -58.7 | -86.1 | 0 | 0 | 0 | 113.7 | Y687 Y691 F694 F703 L710 H727 F728 Q732 V733 | Y687-Y730 HydrophobicContact CE1-CE2 4.24Å; Y687-Y730 HydrophobicContact CE2-CE2 4.49Å; Y687-Y730 AromaticContact CZ-CE2 3.72Å; Y687-Y730 AromaticContact CZ-CZ 3.98Å; Y687-Y730 WeakPolarHBondContact OH-CE2 3.34Å; Y691-Y730 HydrophobicContact CD2-CD1 4.39Å; Y691-Y730 AromaticContact CD2-CE1 3.8Å; Y691-Y730 HydrophobicContact CD2-CE1 3.8Å; Y691-Y730 HydrophobicContact CD2-CE2 4.19Å; Y691-Y730 AromaticContact CD2-CZ 3.7Å; Y691-Y730 HydrophobicContact CE2-CE1 4.5Å; F694-Y730 AromaticContact CD1-CD1 3.97Å; F694-Y730 HydrophobicContact CD1-CD1 3.97Å; F694-Y730 HydrophobicContact CD1-CE1 4.11Å; F694-Y730 AromaticContact CE1-CD1 3.85Å; F694-Y730 HydrophobicContact CE1-CD1 3.85Å; F694-Y730 HydrophobicContact CE1-CE1 4.46Å; F694-Y730 HydrophobicContact CG-CD1 4.43Å; F694-Y730 HydrophobicContact CG-CE1 4.3Å; F694-Y730 HydrophobicContact CZ-CD1 4.21Å; F703-Y730 HydrophobicContact CE2-CD1 4.22Å; L710-Y730 HydrophobicContact CD1-CD1 3.9Å; L710-Y730 HydrophobicContact CD1-CD2 4.29Å; L710-Y730 HydrophobicContact CD1-CE1 3.97Å; L710-Y730 HydrophobicContact CD1-CE2 4.41Å; L710-Y730 HydrophobicContact CD1-CG 4.04Å; L710-Y730 HydrophobicContact CD2-CE1 4.17Å; L710-Y730 HydrophobicContact CD2-CE2 3.94Å; H727-Y730 WeakPolarHBondContact O-CD2 3.44Å; H727-Y730 WeakPolarHBondContact O-CE2 3.41Å; F728-Y730 VanDerWaalsContact C-N 3.27Å; F728-Y730 PolarHBondContact O-N 3.23Å; Y730-Q732 PolarHBondContact O-N 3.27Å; Y730-V733 VanDerWaalsContact O-CG2 3.28Å; Y730-V733 WeakPolarHBondContact O-CG2 3.13Å; Y730-V733 PolarHBondContact O-N 2.84Å; Y730-V733 VanDerWaalsContact O-N 3.15Å |
| 731 | R | 63.5 | Low | 70.4 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 20% | 0.2 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -53.1 | -16.8 | 168.5 | -66.8 | 173.7 | -168.1 | 176.1 | 5.6 | 114.2 | F728 S729 V733 L750 C764 L771 | F728-R731 WeakPolarHBondContact O-CG 3.45Å; S729-R731 PolarHBondContact O-N 3.19Å; S729-R731 VanDerWaalsContact O-N 3.09Å; R731-V733 PolarHBondContact O-N 2.63Å; R731-L750 HydrophobicContact CG-CD2 4.49Å; R731-C764 PolarHBondContact NH2-SG 3.06Å; R731-L771 HydrophobicContact CB-CD2 3.78Å; R731-L771 HydrophobicContact CG-CD2 4.01Å |
| 732 | Q | 67.1 | Low | 70.3 | Confident | 73 Ų | 73 | 64 Ų | 64 | 34% | 0.341 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -65.5 | -18.1 | 177.2 | -66.4 | -175 | 13.8 | 0 | 0 | 114 | S729 Y730 F734 N735 | S729-Q732 PolarHBondContact O-N 2.79Å; Y730-Q732 PolarHBondContact O-N 3.27Å; Q732-F734 PolarHBondContact O-N 3.03Å; Q732-N735 PolarHBondContact O-N 2.71Å |
| 733 | V | 62.4 | Low | 70.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -53.3 | -54.1 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | F694 V700 F703 Y730 R731 N735 K736 L738 E743 A746 | F694-V733 HydrophobicContact CZ-CG2 3.74Å; V700-V733 HydrophobicContact CG1-CB 4.24Å; V700-V733 HydrophobicContact CG1-CG1 4.35Å; V700-V733 HydrophobicContact CG1-CG2 3.92Å; F703-V733 HydrophobicContact CD2-CG2 3.59Å; F703-V733 HydrophobicContact CE2-CG2 3.72Å; F703-V733 HydrophobicContact CG-CG2 4.13Å; F703-V733 HydrophobicContact CZ-CG2 4.38Å; Y730-V733 VanDerWaalsContact O-CG2 3.28Å; Y730-V733 WeakPolarHBondContact O-CG2 3.13Å; Y730-V733 PolarHBondContact O-N 2.84Å; Y730-V733 VanDerWaalsContact O-N 3.15Å; R731-V733 PolarHBondContact O-N 2.63Å; V733-N735 PolarHBondContact O-N 2.94Å; V733-K736 PolarHBondContact O-N 3.46Å; V733-L738 HydrophobicContact CB-CD1 4.23Å; V733-L738 HydrophobicContact CG1-CD1 3.46Å; V733-L738 VanDerWaalsContact CG1-CD1 3.46Å; V733-L738 WeakPolarHBondContact O-CD1 3.33Å; V733-E743 HydrophobicContact CG1-CG 4.49Å; V733-A746 HydrophobicContact CB-CB 4Å; V733-A746 HydrophobicContact CG1-CB 3.78Å; V733-A746 HydrophobicContact CG2-CB 4.33Å |
| 734 | F | 62.9 | Low | 70.7 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -60.9 | -19.1 | 178 | -67.9 | -83.6 | 0 | 0 | 0 | 115.3 | Q732 E743 A746 A747 L750 L771 R775 F785 | Q732-F734 PolarHBondContact O-N 3.03Å; F734-E743 HydrophobicContact CE1-CB 4.38Å; F734-A746 HydrophobicContact CD2-CB 4.4Å; F734-A746 HydrophobicContact CE2-CB 3.68Å; F734-A746 HydrophobicContact CZ-CB 4.07Å; F734-A747 HydrophobicContact CZ-CB 4.01Å; F734-L750 HydrophobicContact CD2-CD1 4.4Å; F734-L750 HydrophobicContact CE2-CD1 3.55Å; F734-L750 HydrophobicContact CZ-CD1 4.12Å; F734-L771 HydrophobicContact CB-CD1 3.73Å; F734-L771 HydrophobicContact CB-CD2 4.1Å; F734-L771 HydrophobicContact CB-CG 3.79Å; F734-L771 HydrophobicContact CD2-CD2 3.44Å; F734-L771 VanDerWaalsContact CD2-CD2 3.44Å; F734-L771 HydrophobicContact CD2-CG 3.92Å; F734-L771 HydrophobicContact CE2-CD2 4.12Å; F734-L771 HydrophobicContact CG-CD1 4.4Å; F734-L771 HydrophobicContact CG-CD2 3.96Å; F734-L771 HydrophobicContact CG-CG 3.9Å; F734-R775 HydrophobicContact CD1-CB 4.07Å; F734-R775 HydrophobicContact CD1-CG 4.06Å; F734-R775 HydrophobicContact CE1-CG 4.45Å; F734-F785 HydrophobicContact CE1-CE2 4.3Å; F734-F785 HydrophobicContact CE1-CZ 4.24Å |
| 735 | N | 66.4 | Low | 71.2 | Confident | 115 Ų | 115 | 54.4 Ų | 54.4 | 62% | 0.615 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -86.7 | -14.9 | -176.9 | -71.4 | -29.4 | 0 | 0 | 0 | 113.2 | Q732 V733 | Q732-N735 PolarHBondContact O-N 2.71Å; V733-N735 PolarHBondContact O-N 2.94Å |
| 736 | K | 65.7 | Low | 72.1 | Confident | 100 Ų | 100 | 49.8 Ų | 49.8 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -96.6 | 4.1 | -171.5 | -75.7 | -166.5 | -179.1 | -178.8 | 0 | 115.7 | V700 V733 L738 | V700-K736 HydrophobicContact CB-CD 4.43Å; V700-K736 HydrophobicContact CG1-CD 4.38Å; V700-K736 HydrophobicContact CG2-CD 3.96Å; V733-K736 PolarHBondContact O-N 3.46Å; K736-L738 HydrophobicContact CB-CD1 4.4Å; K736-L738 HydrophobicContact CB-CD2 4.3Å; K736-L738 HydrophobicContact CB-CG 4.09Å |
| 737 | Q | 60 | Low | 73.1 | Confident | 160 Ų | 160 | 45.1 Ų | 45.1 | 75% | 0.748 | 22% | 0.217 | S | C | * | . | trans | 53 | 59.2 | -177.2 | -67 | -178.3 | -47.3 | 0 | 0 | 111.8 | ||||
| 738 | L | 62.4 | Low | 73.9 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | trans | -88.1 | 179.6 | -179.4 | -58.3 | 153.1 | 0 | 0 | 0 | 110.8 | V700 E701 V733 K736 E743 | V700-L738 HydrophobicContact CB-CD1 4.19Å; V700-L738 HydrophobicContact CB-CD2 4.01Å; V700-L738 HydrophobicContact CG1-CD1 3.26Å; V700-L738 HydrophobicContact CG1-CD2 3.97Å; V700-L738 HydrophobicContact CG1-CG 4.19Å; E701-L738 HydrophobicContact CG-CD2 4.41Å; V733-L738 HydrophobicContact CB-CD1 4.23Å; V733-L738 HydrophobicContact CG1-CD1 3.46Å; V733-L738 VanDerWaalsContact CG1-CD1 3.46Å; V733-L738 WeakPolarHBondContact O-CD1 3.33Å; K736-L738 HydrophobicContact CB-CD1 4.4Å; K736-L738 HydrophobicContact CB-CD2 4.3Å; K736-L738 HydrophobicContact CB-CG 4.09Å; L738-E743 HydrophobicContact CB-CG 4.44Å | ||
| 739 | E | 73.4 | Confident | 75.1 | Confident | 152 Ų | 152 | 43.7 Ų | 43.7 | 71% | 0.71 | 21% | 0.211 | S | C | * | . | trans | -60.7 | 145.8 | 165.8 | -64.7 | 178.7 | -179.7 | 0 | 0 | 111.4 | D741 S742 E743 | E739-D741 PolarHBondContact O-N 2.89Å; E739-D741 VanDerWaalsContact O-N 3.16Å; E739-S742 PolarHBondContact O-N 2.73Å; E739-E743 PolarHBondContact O-N 3.46Å | ||
| 740 | E | 78.6 | Confident | 76.3 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -21.6 | -174.6 | -56.7 | -162.6 | 145.3 | 0 | 0 | 112.8 | S744 R775 I780 F781 A782 F785 | E740-S744 WeakPolarHBondContact O-CB 3.48Å; E740-S744 PolarHBondContact O-N 3.45Å; E740-S744 PolarHBondContact O-OG 3.17Å; E740-R775 IonicContact OE1-NH2 3.99Å; E740-R775 PolarHBondContact OE1-NH2 3.25Å; E740-I780 VanDerWaalsContact OE1-CA 3.28Å; E740-I780 WeakPolarHBondContact OE1-CA 3.34Å; E740-F781 PolarHBondContact OE1-N 3.22Å; E740-F781 VanDerWaalsContact OE1-N 3.11Å; E740-F781 PolarHBondContact OE2-N 3.15Å; E740-F781 VanDerWaalsContact OE2-N 3.1Å; E740-A782 WeakPolarHBondContact OE2-CB 3.4Å; E740-A782 PolarHBondContact OE2-N 2.87Å; E740-F785 HydrophobicContact CB-CD1 4.13Å; E740-F785 HydrophobicContact CB-CG 4.42Å; E740-F785 HydrophobicContact CG-CD1 4.38Å |
| 741 | D | 80.2 | Confident | 77.7 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.8 | -53.3 | 179.4 | -169.2 | 42 | 0 | 0 | 0 | 111.9 | E739 E743 S744 Y745 | E739-D741 PolarHBondContact O-N 2.89Å; E739-D741 VanDerWaalsContact O-N 3.16Å; D741-E743 PolarHBondContact O-N 3.33Å; D741-S744 WeakPolarHBondContact O-CA 3.47Å; D741-S744 VanDerWaalsContact O-CB 3.24Å; D741-S744 WeakPolarHBondContact O-CB 3.44Å; D741-S744 PolarHBondContact O-N 3.34Å; D741-Y745 VanDerWaalsContact O-CD2 3.29Å; D741-Y745 WeakPolarHBondContact O-CD2 3.18Å; D741-Y745 PolarHBondContact O-N 3.36Å |
| 742 | S | 81 | Confident | 79.1 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -36.6 | 175.1 | -41.9 | 0 | 0 | 0 | 0 | 112.2 | E701 E739 S744 A746 | E701-S742 PolarHBondContact O-OG 2.91Å; E701-S742 VanDerWaalsContact O-OG 3.09Å; E739-S742 PolarHBondContact O-N 2.73Å; S742-S744 VanDerWaalsContact C-N 3.31Å; S742-A746 PolarHBondContact O-N 2.88Å |
| 743 | E | 85.6 | Confident | 80.3 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -31.6 | 175 | -63.6 | -173.5 | 121.7 | 0 | 0 | 112.2 | V733 F734 L738 E739 D741 A746 A747 R775 F785 | V733-E743 HydrophobicContact CG1-CG 4.49Å; F734-E743 HydrophobicContact CE1-CB 4.38Å; L738-E743 HydrophobicContact CB-CG 4.44Å; E739-E743 PolarHBondContact O-N 3.46Å; D741-E743 PolarHBondContact O-N 3.33Å; E743-A746 PolarHBondContact O-N 3.15Å; E743-A747 WeakPolarHBondContact O-CB 3.38Å; E743-A747 PolarHBondContact O-N 3.46Å; E743-R775 VanDerWaalsContact CD-NE 3.3Å; E743-R775 WeakPolarHBondContact OE1-CD 3.49Å; E743-R775 IonicContact OE1-NE 2.8Å; E743-R775 PolarHBondContact OE1-NE 3.41Å; E743-R775 VanDerWaalsContact OE1-NE 3.13Å; E743-R775 IonicContact OE2-CZ 3.52Å; E743-R775 VanDerWaalsContact OE2-CZ 3.24Å; E743-R775 IonicContact OE2-NE 3.06Å; E743-R775 PolarHBondContact OE2-NE 2.88Å; E743-R775 IonicContact OE2-NH2 2.69Å; E743-R775 PolarHBondContact OE2-NH2 3.29Å; E743-F785 HydrophobicContact CB-CD2 4.41Å; E743-F785 HydrophobicContact CB-CE1 4.37Å; E743-F785 HydrophobicContact CB-CE2 3.54Å; E743-F785 HydrophobicContact CB-CZ 3.5Å; E743-F785 VanDerWaalsContact CB-CZ 3.5Å; E743-F785 HydrophobicContact CG-CZ 4.43Å |
| 744 | S | 88.5 | Confident | 81.7 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -48.6 | 176.6 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | E740 D741 S742 A746 A747 K748 F785 | E740-S744 WeakPolarHBondContact O-CB 3.48Å; E740-S744 PolarHBondContact O-N 3.45Å; E740-S744 PolarHBondContact O-OG 3.17Å; D741-S744 WeakPolarHBondContact O-CA 3.47Å; D741-S744 VanDerWaalsContact O-CB 3.24Å; D741-S744 WeakPolarHBondContact O-CB 3.44Å; D741-S744 PolarHBondContact O-N 3.34Å; S742-S744 VanDerWaalsContact C-N 3.31Å; S744-A746 VanDerWaalsContact C-N 3.28Å; S744-A746 PolarHBondContact O-N 2.93Å; S744-A747 WeakPolarHBondContact O-CB 3.37Å; S744-A747 PolarHBondContact O-N 3.36Å; S744-A747 VanDerWaalsContact O-N 3.15Å; S744-K748 PolarHBondContact O-N 3.35Å; S744-F785 WeakPolarHBondContact OG-CB 3.43Å; S744-F785 WeakPolarHBondContact OG-CD2 3.48Å |
| 745 | Y | 88 | Confident | 83 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -38.5 | 172.7 | -72.3 | -77.5 | 0 | 0 | 0 | 112.2 | S704 M707 D741 K748 L749 F956 Y959 | S704-Y745 VanDerWaalsContact CB-CE2 3.49Å; M707-Y745 HydrophobicContact CB-CD1 3.99Å; M707-Y745 HydrophobicContact CB-CG 4.36Å; M707-Y745 HydrophobicContact CG-CD1 3.81Å; M707-Y745 HydrophobicContact CG-CG 4.41Å; D741-Y745 VanDerWaalsContact O-CD2 3.29Å; D741-Y745 WeakPolarHBondContact O-CD2 3.18Å; D741-Y745 PolarHBondContact O-N 3.36Å; Y745-K748 PolarHBondContact O-N 2.9Å; Y745-L749 PolarHBondContact O-N 3.2Å; Y745-F956 HydrophobicContact CD1-CD1 4.16Å; Y745-F956 AromaticContact CD1-CE1 3.5Å; Y745-F956 HydrophobicContact CD1-CE1 3.5Å; Y745-F956 HydrophobicContact CD1-CZ 4.4Å; Y745-F956 HydrophobicContact CD2-CE1 4.2Å; Y745-F956 HydrophobicContact CD2-CZ 4.42Å; Y745-F956 HydrophobicContact CE1-CD1 4.26Å; Y745-F956 AromaticContact CE1-CE1 3.67Å; Y745-F956 HydrophobicContact CE1-CE1 3.67Å; Y745-F956 HydrophobicContact CE1-CZ 4.33Å; Y745-F956 HydrophobicContact CE2-CE1 4.32Å; Y745-F956 HydrophobicContact CE2-CZ 4.32Å; Y745-F956 AromaticContact CG-CE1 3.8Å; Y745-F956 HydrophobicContact CG-CE1 3.8Å; Y745-F956 HydrophobicContact CG-CZ 4.46Å; Y745-Y959 HydrophobicContact CD1-CE2 4.06Å; Y745-Y959 AromaticContact CE1-CE2 3.97Å; Y745-Y959 HydrophobicContact CE1-CE2 3.97Å |
| 746 | A | 88 | Confident | 84.2 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F703 V733 F734 S742 E743 S744 L749 L750 | F703-A746 HydrophobicContact CD1-CB 4.15Å; F703-A746 VanDerWaalsContact CE1-CA 3.48Å; F703-A746 HydrophobicContact CE1-CB 3.76Å; F703-A746 HydrophobicContact CZ-CB 4.18Å; V733-A746 HydrophobicContact CB-CB 4Å; V733-A746 HydrophobicContact CG1-CB 3.78Å; V733-A746 HydrophobicContact CG2-CB 4.33Å; F734-A746 HydrophobicContact CD2-CB 4.4Å; F734-A746 HydrophobicContact CE2-CB 3.68Å; F734-A746 HydrophobicContact CZ-CB 4.07Å; S742-A746 PolarHBondContact O-N 2.88Å; E743-A746 PolarHBondContact O-N 3.15Å; S744-A746 VanDerWaalsContact C-N 3.28Å; S744-A746 PolarHBondContact O-N 2.93Å; A746-L749 PolarHBondContact O-N 3.24Å; A746-L750 WeakPolarHBondContact O-CG 3.24Å; A746-L750 PolarHBondContact O-N 2.58Å; A746-L750 VanDerWaalsContact O-N 3.07Å |
| 747 | A | 90.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F734 E743 S744 L749 L750 E751 F785 L788 V792 | F734-A747 HydrophobicContact CZ-CB 4.01Å; E743-A747 WeakPolarHBondContact O-CB 3.38Å; E743-A747 PolarHBondContact O-N 3.46Å; S744-A747 WeakPolarHBondContact O-CB 3.37Å; S744-A747 PolarHBondContact O-N 3.36Å; S744-A747 VanDerWaalsContact O-N 3.15Å; A747-L749 VanDerWaalsContact C-N 3.34Å; A747-L749 PolarHBondContact O-N 3.06Å; A747-L750 WeakPolarHBondContact O-CB 3.42Å; A747-L750 PolarHBondContact O-N 2.66Å; A747-L750 VanDerWaalsContact O-N 3.13Å; A747-E751 PolarHBondContact O-N 3.03Å; A747-F785 HydrophobicContact CB-CE2 4.42Å; A747-L788 HydrophobicContact CB-CB 4.01Å; A747-V792 HydrophobicContact CB-CG2 4.19Å; A747-V792 WeakPolarHBondContact O-CG2 3.41Å |
| 748 | K | 92.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 176.3 | -175.2 | 61.9 | 177.8 | -176.1 | 0 | 112.2 | M707 S744 Y745 L750 E751 V752 L788 H839 F956 Y959 | M707-K748 HydrophobicContact CE-CB 4.44Å; M707-K748 HydrophobicContact CE-CG 4.25Å; S744-K748 PolarHBondContact O-N 3.35Å; Y745-K748 PolarHBondContact O-N 2.9Å; K748-L750 VanDerWaalsContact C-N 3.34Å; K748-L750 PolarHBondContact O-N 3.04Å; K748-E751 WeakPolarHBondContact CD-OE2 3.49Å; K748-E751 IonicContact NZ-OE2 3.76Å; K748-E751 PolarHBondContact NZ-OE2 3.23Å; K748-E751 WeakPolarHBondContact O-CB 3.25Å; K748-E751 PolarHBondContact O-N 3.21Å; K748-V752 VanDerWaalsContact O-CG2 3.25Å; K748-V752 WeakPolarHBondContact O-CG2 3.24Å; K748-V752 PolarHBondContact O-N 2.88Å; K748-L788 HydrophobicContact CB-CD2 4.37Å; K748-L788 HydrophobicContact CD-CD2 4.1Å; K748-H839 PolarHBondContact NZ-CD2 3.07Å; K748-H839 PolarHBondContact NZ-NE2 2.88Å; K748-F956 HydrophobicContact CB-CD1 3.94Å; K748-F956 HydrophobicContact CB-CE1 4.43Å; K748-F956 HydrophobicContact CD-CB 4.3Å; K748-F956 WeakPolarHBondContact CE-O 3.34Å; K748-F956 HydrophobicContact CG-CB 4.45Å; K748-F956 HydrophobicContact CG-CD1 3.99Å; K748-Y959 HydrophobicContact CG-CD2 4.1Å |
| 749 | L | 91.1 | Very high | 87.7 | Confident | 14 Ų | 14 | 27.5 Ų | 27.5 | 7% | 0.073 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.9 | -171.4 | 59.6 | 0 | 0 | 0 | 112.3 | F703 M707 L710 V714 Y745 A746 A747 E751 V752 V753 | F703-L749 HydrophobicContact CZ-CD2 3.97Å; M707-L749 HydrophobicContact CE-CB 3.73Å; M707-L749 HydrophobicContact CE-CD1 3.87Å; M707-L749 HydrophobicContact CE-CG 4.36Å; M707-L749 HydrophobicContact SD-CB 3.61Å; M707-L749 HydrophobicContact SD-CD1 3.79Å; M707-L749 HydrophobicContact SD-CD2 4.16Å; M707-L749 HydrophobicContact SD-CG 4.03Å; L710-L749 HydrophobicContact CB-CD1 4.31Å; L710-L749 HydrophobicContact CB-CD2 3.99Å; L710-L749 HydrophobicContact CD1-CD2 3.75Å; V714-L749 HydrophobicContact CG2-CD1 4.11Å; Y745-L749 PolarHBondContact O-N 3.2Å; A746-L749 PolarHBondContact O-N 3.24Å; A747-L749 VanDerWaalsContact C-N 3.34Å; A747-L749 PolarHBondContact O-N 3.06Å; L749-E751 VanDerWaalsContact C-N 3.34Å; L749-V752 PolarHBondContact O-N 2.89Å; L749-V753 WeakPolarHBondContact O-CB 3.49Å; L749-V753 VanDerWaalsContact O-CG2 3.23Å; L749-V753 WeakPolarHBondContact O-CG2 3.22Å; L749-V753 PolarHBondContact O-N 3.47Å |
| 750 | L | 91.5 | Very high | 88.4 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 9% | 0.089 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.4 | -71 | 174.9 | 0 | 0 | 0 | 111.7 | R731 F734 A746 A747 K748 V753 L754 I768 L771 V772 V792 | R731-L750 HydrophobicContact CG-CD2 4.49Å; F734-L750 HydrophobicContact CD2-CD1 4.4Å; F734-L750 HydrophobicContact CE2-CD1 3.55Å; F734-L750 HydrophobicContact CZ-CD1 4.12Å; A746-L750 WeakPolarHBondContact O-CG 3.24Å; A746-L750 PolarHBondContact O-N 2.58Å; A746-L750 VanDerWaalsContact O-N 3.07Å; A747-L750 WeakPolarHBondContact O-CB 3.42Å; A747-L750 PolarHBondContact O-N 2.66Å; A747-L750 VanDerWaalsContact O-N 3.13Å; K748-L750 VanDerWaalsContact C-N 3.34Å; K748-L750 PolarHBondContact O-N 3.04Å; L750-V753 PolarHBondContact O-N 2.82Å; L750-L754 VanDerWaalsContact O-CG 3.29Å; L750-L754 WeakPolarHBondContact O-CG 3.48Å; L750-L754 PolarHBondContact O-N 3.06Å; L750-I768 HydrophobicContact CB-CG2 4.4Å; L750-I768 HydrophobicContact CD1-CG2 4.32Å; L750-I768 HydrophobicContact CD2-CD1 4.31Å; L750-I768 HydrophobicContact CD2-CG1 4.16Å; L750-I768 HydrophobicContact CD2-CG2 4.41Å; L750-L771 HydrophobicContact CD1-CD2 4.29Å; L750-V772 HydrophobicContact CD1-CG2 4.3Å; L750-V792 HydrophobicContact CB-CG1 4.1Å; L750-V792 HydrophobicContact CB-CG2 4.12Å |
| 751 | E | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.7 | -51.5 | 171.9 | 170.5 | 179 | -147.3 | 0 | 0 | 111.3 | A747 K748 L749 V753 L754 L755 V792 A795 H839 M843 | A747-E751 PolarHBondContact O-N 3.03Å; K748-E751 WeakPolarHBondContact CD-OE2 3.49Å; K748-E751 IonicContact NZ-OE2 3.76Å; K748-E751 PolarHBondContact NZ-OE2 3.23Å; K748-E751 WeakPolarHBondContact O-CB 3.25Å; K748-E751 PolarHBondContact O-N 3.21Å; L749-E751 VanDerWaalsContact C-N 3.34Å; E751-V753 VanDerWaalsContact C-N 3.3Å; E751-V753 PolarHBondContact O-N 3.41Å; E751-L754 PolarHBondContact O-N 3.33Å; E751-L755 HydrophobicContact CG-CD1 4.04Å; E751-L755 WeakPolarHBondContact O-CG 3.37Å; E751-L755 PolarHBondContact O-N 3.07Å; E751-V792 HydrophobicContact CB-CG2 4.18Å; E751-A795 HydrophobicContact CG-CB 4.19Å; E751-H839 IonicContact OE1-CD2 2.72Å; E751-H839 IonicContact OE1-CE1 2.72Å; E751-H839 IonicContact OE1-NE2 3.43Å; E751-H839 PolarHBondContact OE1-NE2 3.4Å; E751-H839 IonicContact OE2-NE2 2.83Å; E751-M843 VanDerWaalsContact OE1-CG 3.3Å; E751-M843 WeakPolarHBondContact OE1-CG 3.3Å |
| 752 | V | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.4 | -47 | 177.9 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | Y711 V714 T715 K748 L749 L754 L755 Q756 T961 | Y711-V752 HydrophobicContact CD2-CG1 3.95Å; Y711-V752 HydrophobicContact CD2-CG2 4.15Å; Y711-V752 HydrophobicContact CE2-CG1 3.98Å; Y711-V752 HydrophobicContact CE2-CG2 4.22Å; V714-V752 HydrophobicContact CG1-CG1 3.92Å; T715-V752 HydrophobicContact CG2-CG1 4.01Å; K748-V752 VanDerWaalsContact O-CG2 3.25Å; K748-V752 WeakPolarHBondContact O-CG2 3.24Å; K748-V752 PolarHBondContact O-N 2.88Å; L749-V752 PolarHBondContact O-N 2.89Å; V752-L754 PolarHBondContact O-N 3.47Å; V752-L755 PolarHBondContact O-N 3.15Å; V752-Q756 WeakPolarHBondContact O-CB 3.5Å; V752-Q756 PolarHBondContact O-N 3.27Å; V752-T961 HydrophobicContact CG2-CG2 3.94Å |
| 753 | V | 90.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 178.9 | 164.2 | 0 | 0 | 0 | 0 | 112 | V714 F728 L749 L750 E751 F757 I761 | V714-V753 HydrophobicContact CB-CG2 4.49Å; V714-V753 HydrophobicContact CG1-CG2 3.93Å; V714-V753 HydrophobicContact CG2-CG2 3.72Å; F728-V753 HydrophobicContact CD1-CG1 4.18Å; F728-V753 HydrophobicContact CE1-CG1 3.64Å; L749-V753 WeakPolarHBondContact O-CB 3.49Å; L749-V753 VanDerWaalsContact O-CG2 3.23Å; L749-V753 WeakPolarHBondContact O-CG2 3.22Å; L749-V753 PolarHBondContact O-N 3.47Å; L750-V753 PolarHBondContact O-N 2.82Å; E751-V753 VanDerWaalsContact C-N 3.3Å; E751-V753 PolarHBondContact O-N 3.41Å; V753-F757 HydrophobicContact CG1-CD2 4.04Å; V753-F757 HydrophobicContact CG1-CE2 4.46Å; V753-F757 WeakPolarHBondContact O-CD2 3.38Å; V753-F757 PolarHBondContact O-N 3.15Å; V753-F757 VanDerWaalsContact O-N 3.15Å; V753-I761 HydrophobicContact CG1-CD1 3.92Å |
| 754 | L | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 178.3 | -74.1 | 171.7 | 0 | 0 | 0 | 111 | L750 E751 V752 I761 I765 I768 V792 A795 A796 Y799 | L750-L754 VanDerWaalsContact O-CG 3.29Å; L750-L754 WeakPolarHBondContact O-CG 3.48Å; L750-L754 PolarHBondContact O-N 3.06Å; E751-L754 PolarHBondContact O-N 3.33Å; V752-L754 PolarHBondContact O-N 3.47Å; L754-I761 HydrophobicContact CD2-CD1 4.24Å; L754-I765 HydrophobicContact CD2-CD1 3.25Å; L754-I768 HydrophobicContact CD1-CG2 4.16Å; L754-I768 HydrophobicContact CD2-CD1 4.06Å; L754-I768 HydrophobicContact CG-CD1 4.46Å; L754-V792 HydrophobicContact CD1-CG1 3.85Å; L754-V792 VanDerWaalsContact CD1-O 3.31Å; L754-V792 WeakPolarHBondContact CD1-O 3.34Å; L754-A795 HydrophobicContact CB-CB 4.05Å; L754-A795 HydrophobicContact CD1-CB 3.9Å; L754-A796 HydrophobicContact CD1-CB 4.32Å; L754-Y799 VanDerWaalsContact O-CD2 3.25Å; L754-Y799 WeakPolarHBondContact O-CD2 3.38Å |
| 755 | L | 91.5 | Very high | 89.7 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.9 | -40.5 | -177.4 | -63.1 | 174.8 | 0 | 0 | 0 | 112 | E751 V752 A795 V798 M843 T961 V962 I963 | E751-L755 HydrophobicContact CG-CD1 4.04Å; E751-L755 WeakPolarHBondContact O-CG 3.37Å; E751-L755 PolarHBondContact O-N 3.07Å; V752-L755 PolarHBondContact O-N 3.15Å; L755-A795 HydrophobicContact CD2-CB 4.14Å; L755-A795 HydrophobicContact CG-CB 4.19Å; L755-V798 HydrophobicContact CD2-CG1 4.23Å; L755-M843 HydrophobicContact CD1-SD 3.78Å; L755-M843 HydrophobicContact CD2-CE 4.21Å; L755-M843 HydrophobicContact CD2-SD 4.11Å; L755-M843 HydrophobicContact CG-SD 4.48Å; L755-T961 HydrophobicContact CD1-CG2 4Å; L755-V962 HydrophobicContact CB-CG2 4.25Å; L755-V962 WeakPolarHBondContact O-CG2 3.21Å; L755-I963 HydrophobicContact CD1-CD1 4.24Å; L755-I963 HydrophobicContact CD1-CG2 4.32Å; L755-I963 HydrophobicContact CD2-CG2 4.43Å |
| 756 | Q | 90.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 33 Ų | 33 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -39 | -176.7 | -168.5 | 59.7 | 54.3 | 0 | 0 | 112.6 | V714 Q718 V752 | V714-Q756 HydrophobicContact CG1-CB 4.08Å; V714-Q756 HydrophobicContact CG1-CG 4.13Å; Q718-Q756 HydrophobicContact CG-CG 4.08Å; V752-Q756 WeakPolarHBondContact O-CB 3.5Å; V752-Q756 PolarHBondContact O-N 3.27Å |
| 757 | F | 90 | Very high | 89.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 32.5 | -175.4 | -60 | -59.7 | 0 | 0 | 0 | 113.7 | V714 Q718 F721 L722 V753 G759 Q760 I761 Y799 | V714-F757 HydrophobicContact CG1-CE2 3.78Å; V714-F757 HydrophobicContact CG1-CZ 4.16Å; Q718-F757 HydrophobicContact CB-CE1 3.79Å; Q718-F757 HydrophobicContact CG-CE1 3.95Å; Q718-F757 HydrophobicContact CG-CZ 4.47Å; F721-F757 HydrophobicContact CB-CZ 4.08Å; F721-F757 AromaticContact CD1-CE2 3.73Å; F721-F757 HydrophobicContact CD1-CE2 3.73Å; F721-F757 AromaticContact CD1-CZ 3.78Å; F721-F757 HydrophobicContact CD1-CZ 3.78Å; F721-F757 HydrophobicContact CE1-CE2 4.13Å; F721-F757 HydrophobicContact CG-CE2 4.47Å; F721-F757 HydrophobicContact CG-CZ 4.15Å; L722-F757 HydrophobicContact CD1-CD1 3.78Å; L722-F757 HydrophobicContact CD1-CE1 4.05Å; L722-F757 HydrophobicContact CD2-CB 4.37Å; L722-F757 HydrophobicContact CD2-CD1 3.8Å; L722-F757 HydrophobicContact CD2-CD2 4.29Å; L722-F757 HydrophobicContact CD2-CE1 4.09Å; L722-F757 HydrophobicContact CD2-CG 3.91Å; L722-F757 HydrophobicContact CD2-CZ 4.47Å; L722-F757 HydrophobicContact CG-CD1 3.87Å; L722-F757 HydrophobicContact CG-CE1 3.84Å; L722-F757 HydrophobicContact CG-CG 4.48Å; L722-F757 HydrophobicContact CG-CZ 4.44Å; V753-F757 HydrophobicContact CG1-CD2 4.04Å; V753-F757 HydrophobicContact CG1-CE2 4.46Å; V753-F757 WeakPolarHBondContact O-CD2 3.38Å; V753-F757 PolarHBondContact O-N 3.15Å; V753-F757 VanDerWaalsContact O-N 3.15Å; F757-G759 PolarHBondContact O-N 3.03Å; F757-Q760 WeakPolarHBondContact O-CB 3.36Å; F757-Q760 PolarHBondContact O-N 3.36Å; F757-I761 HydrophobicContact CB-CD1 4.04Å; F757-I761 HydrophobicContact CB-CG1 4.05Å; F757-I761 HydrophobicContact CB-CG2 3.93Å; F757-Y799 WeakPolarHBondContact O-CE2 3.49Å |
| 758 | R | 87.1 | Confident | 89.7 | Confident | 125 Ų | 125 | 35 Ų | 35 | 47% | 0.472 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 122.1 | -177.5 | -165.7 | 176.7 | -176.4 | -167.8 | 7.9 | 112.9 | V798 Y799 | R758-V798 VanDerWaalsContact CZ-O 3.3Å; R758-V798 PolarHBondContact NE-O 2.79Å; R758-V798 PolarHBondContact NH2-O 2.87Å; R758-Y799 HydrophobicContact CB-CD2 4.21Å; R758-Y799 HydrophobicContact CB-CE2 4.46Å; R758-Y799 HydrophobicContact CG-CD2 4.06Å; R758-Y799 HydrophobicContact CG-CG 4.49Å; R758-Y799 PolarHBondContact NE-O 2.91Å; R758-Y799 VanDerWaalsContact NE-O 3.16Å |
| 759 | G | 85.9 | Confident | 89.6 | Confident | 56 Ų | 56 | 35 Ų | 35 | 58% | 0.577 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | F757 Y799 | F757-G759 PolarHBondContact O-N 3.03Å; G759-Y799 VanDerWaalsContact C-OH 3.27Å; G759-Y799 VanDerWaalsContact CA-OH 3.28Å; G759-Y799 WeakPolarHBondContact CA-OH 3.48Å; G759-Y799 PolarHBondContact N-OH 3.31Å; G759-Y799 VanDerWaalsContact N-OH 3.15Å |
| 760 | Q | 87.9 | Confident | 89.5 | Confident | 118 Ų | 118 | 37.7 Ų | 37.7 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -15.2 | -175.2 | -59.7 | 179.8 | 69.8 | 0 | 0 | 114.2 | L722 F757 Y799 | L722-Q760 HydrophobicContact CD1-CB 4.3Å; F757-Q760 WeakPolarHBondContact O-CB 3.36Å; F757-Q760 PolarHBondContact O-N 3.36Å; Q760-Y799 PolarHBondContact N-OH 3.01Å |
| 761 | I | 87.2 | Confident | 89.3 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | -125.7 | 34.2 | -171.2 | 59.4 | 164.9 | 0 | 0 | 0 | 113.3 | L722 F728 V753 L754 F757 T763 C764 Y799 | L722-I761 HydrophobicContact CD2-CG2 3.6Å; F728-I761 HydrophobicContact CE1-CG2 4.45Å; F728-I761 HydrophobicContact CZ-CG2 3.94Å; V753-I761 HydrophobicContact CG1-CD1 3.92Å; L754-I761 HydrophobicContact CD2-CD1 4.24Å; F757-I761 HydrophobicContact CB-CD1 4.04Å; F757-I761 HydrophobicContact CB-CG1 4.05Å; F757-I761 HydrophobicContact CB-CG2 3.93Å; I761-T763 PolarHBondContact O-N 3.19Å; I761-T763 VanDerWaalsContact O-N 3.09Å; I761-C764 HydrophobicContact CB-CB 4.24Å; I761-C764 WeakPolarHBondContact O-CB 3.29Å; I761-C764 PolarHBondContact O-N 3.44Å; I761-Y799 HydrophobicContact CG1-CE2 3.75Å; I761-Y799 PolarHBondContact N-OH 3.1Å | ||
| 762 | D | 89.2 | Confident | 89.1 | Confident | 77 Ų | 77 | 38 Ų | 38 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -52 | -37.3 | -176.5 | -68.5 | -0.7 | 0 | 0 | 0 | 113.3 | C764 I765 Y799 L803 | D762-C764 PolarHBondContact O-N 2.88Å; D762-I765 WeakPolarHBondContact O-CG1 3.42Å; D762-I765 PolarHBondContact O-N 2.94Å; D762-Y799 PolarHBondContact N-OH 3.41Å; D762-Y799 WeakPolarHBondContact OD1-CE1 3.46Å; D762-Y799 VanDerWaalsContact OD1-CZ 3.28Å; D762-Y799 PolarHBondContact OD1-OH 3.39Å; D762-L803 HydrophobicContact CB-CD2 3.89Å |
| 763 | T | 87.4 | Confident | 88.9 | Confident | 126 Ų | 126 | 39.1 Ų | 39.1 | 77% | 0.773 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -67.1 | -20.4 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | I761 P767 | I761-T763 PolarHBondContact O-N 3.19Å; I761-T763 VanDerWaalsContact O-N 3.09Å; T763-P767 WeakPolarHBondContact O-CD 3.44Å |
| 764 | C | 86.8 | Confident | 88.6 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -89.4 | -18 | -179.3 | -70 | 0 | 0 | 0 | 0 | 113.3 | R731 I761 D762 K766 P767 I768 | R731-C764 PolarHBondContact NH2-SG 3.06Å; I761-C764 HydrophobicContact CB-CB 4.24Å; I761-C764 WeakPolarHBondContact O-CB 3.29Å; I761-C764 PolarHBondContact O-N 3.44Å; D762-C764 PolarHBondContact O-N 2.88Å; C764-K766 PolarHBondContact O-N 2.92Å; C764-P767 WeakPolarHBondContact O-CD 3.42Å; C764-I768 HydrophobicContact CB-CD1 4.08Å; C764-I768 WeakPolarHBondContact O-CB 3.43Å; C764-I768 WeakPolarHBondContact O-CD1 3.48Å; C764-I768 VanDerWaalsContact O-CG1 3.22Å; C764-I768 WeakPolarHBondContact O-CG1 3.12Å; C764-I768 PolarHBondContact O-N 3.48Å; C764-I768 VanDerWaalsContact O-N 3.1Å |
| 765 | I | 89.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | -175.7 | -57.5 | -57.1 | 0 | 0 | 0 | 111.1 | L754 D762 I768 V769 A796 Y799 L803 V807 | L754-I765 HydrophobicContact CD2-CD1 3.25Å; D762-I765 WeakPolarHBondContact O-CG1 3.42Å; D762-I765 PolarHBondContact O-N 2.94Å; I765-I768 PolarHBondContact O-N 2.84Å; I765-V769 HydrophobicContact CG2-CG2 4.28Å; I765-V769 WeakPolarHBondContact O-CG2 3.41Å; I765-V769 PolarHBondContact O-N 3.37Å; I765-A796 HydrophobicContact CG2-CB 4.1Å; I765-Y799 HydrophobicContact CD1-CD1 3.68Å; I765-Y799 HydrophobicContact CD1-CD2 4.36Å; I765-Y799 HydrophobicContact CD1-CE1 3.78Å; I765-Y799 HydrophobicContact CD1-CE2 4.36Å; I765-Y799 HydrophobicContact CD1-CG 4.05Å; I765-Y799 HydrophobicContact CG1-CD1 4.13Å; I765-Y799 HydrophobicContact CG1-CE1 3.96Å; I765-L803 HydrophobicContact CB-CD2 4.23Å; I765-L803 HydrophobicContact CG1-CD2 3.87Å; I765-V807 HydrophobicContact CG2-CG2 4.44Å |
| 766 | K | 90.5 | Very high | 88.1 | Confident | 85 Ų | 85 | 45.6 Ų | 45.6 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -54 | -179.1 | 175.4 | 168 | -179.4 | 163.3 | 0 | 113 | C764 I768 V769 E770 V807 S810 | C764-K766 PolarHBondContact O-N 2.92Å; K766-I768 VanDerWaalsContact C-N 3.29Å; K766-I768 PolarHBondContact O-N 3.19Å; K766-V769 PolarHBondContact O-N 3.17Å; K766-E770 WeakPolarHBondContact CE-OE1 3.37Å; K766-E770 HydrophobicContact CG-CG 4.32Å; K766-E770 IonicContact NZ-OE1 3.87Å; K766-E770 WeakPolarHBondContact O-CB 3.45Å; K766-E770 WeakPolarHBondContact O-CG 3.42Å; K766-E770 PolarHBondContact O-N 3.24Å; K766-V807 HydrophobicContact CB-CG1 4.04Å; K766-V807 HydrophobicContact CB-CG2 3.79Å; K766-V807 HydrophobicContact CG-CG1 4.16Å; K766-V807 HydrophobicContact CG-CG2 4.45Å; K766-S810 PolarHBondContact NZ-OG 3.44Å |
| 767 | P | 88.5 | Confident | 87.6 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.1 | -37.2 | 175.8 | -27.8 | 33.3 | 0 | 0 | 0 | 114.8 | T763 C764 L771 | T763-P767 WeakPolarHBondContact O-CD 3.44Å; C764-P767 WeakPolarHBondContact O-CD 3.42Å; P767-L771 WeakPolarHBondContact O-CB 3.42Å; P767-L771 PolarHBondContact O-N 3.47Å; P767-L771 VanDerWaalsContact O-N 3.09Å |
| 768 | I | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -47.9 | 179.7 | -70.2 | 169.7 | 0 | 0 | 0 | 110.3 | L750 L754 C764 I765 K766 L771 V772 V792 | L750-I768 HydrophobicContact CB-CG2 4.4Å; L750-I768 HydrophobicContact CD1-CG2 4.32Å; L750-I768 HydrophobicContact CD2-CD1 4.31Å; L750-I768 HydrophobicContact CD2-CG1 4.16Å; L750-I768 HydrophobicContact CD2-CG2 4.41Å; L754-I768 HydrophobicContact CD1-CG2 4.16Å; L754-I768 HydrophobicContact CD2-CD1 4.06Å; L754-I768 HydrophobicContact CG-CD1 4.46Å; C764-I768 HydrophobicContact CB-CD1 4.08Å; C764-I768 WeakPolarHBondContact O-CB 3.43Å; C764-I768 WeakPolarHBondContact O-CD1 3.48Å; C764-I768 VanDerWaalsContact O-CG1 3.22Å; C764-I768 WeakPolarHBondContact O-CG1 3.12Å; C764-I768 PolarHBondContact O-N 3.48Å; C764-I768 VanDerWaalsContact O-N 3.1Å; I765-I768 PolarHBondContact O-N 2.84Å; K766-I768 VanDerWaalsContact C-N 3.29Å; K766-I768 PolarHBondContact O-N 3.19Å; I768-L771 WeakPolarHBondContact O-CB 3.48Å; I768-L771 PolarHBondContact O-N 2.89Å; I768-V772 PolarHBondContact O-N 3.33Å; I768-V772 VanDerWaalsContact O-N 3.17Å; I768-V792 HydrophobicContact CG2-CG1 3.61Å |
| 769 | V | 90.1 | Very high | 87 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 178.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | I765 K766 L771 V772 V773 A796 V807 L808 L811 | I765-V769 HydrophobicContact CG2-CG2 4.28Å; I765-V769 WeakPolarHBondContact O-CG2 3.41Å; I765-V769 PolarHBondContact O-N 3.37Å; K766-V769 PolarHBondContact O-N 3.17Å; V769-L771 VanDerWaalsContact C-N 3.3Å; V769-L771 PolarHBondContact O-N 3.11Å; V769-V772 PolarHBondContact O-N 2.71Å; V769-V773 HydrophobicContact CG1-CG2 4Å; V769-V773 VanDerWaalsContact O-CB 3.27Å; V769-V773 WeakPolarHBondContact O-CB 3.49Å; V769-V773 WeakPolarHBondContact O-CG2 3.48Å; V769-V773 PolarHBondContact O-N 3.04Å; V769-A796 HydrophobicContact CG2-CB 4Å; V769-V807 HydrophobicContact CB-CG1 3.95Å; V769-V807 HydrophobicContact CG1-CG1 4Å; V769-V807 HydrophobicContact CG2-CG1 4.35Å; V769-L808 HydrophobicContact CG1-CD2 3.78Å; V769-L808 HydrophobicContact CG1-CG 4.49Å; V769-L811 HydrophobicContact CG1-CD1 4.05Å |
| 770 | E | 88.7 | Confident | 86.9 | Confident | 71 Ų | 71 | 51.9 Ų | 51.9 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 175.5 | -78.8 | 176.3 | 172.1 | 0 | 0 | 112.4 | K766 T774 L811 | K766-E770 WeakPolarHBondContact CE-OE1 3.37Å; K766-E770 HydrophobicContact CG-CG 4.32Å; K766-E770 IonicContact NZ-OE1 3.87Å; K766-E770 WeakPolarHBondContact O-CB 3.45Å; K766-E770 WeakPolarHBondContact O-CG 3.42Å; K766-E770 PolarHBondContact O-N 3.24Å; E770-T774 WeakPolarHBondContact O-CB 3.39Å; E770-T774 PolarHBondContact O-N 2.88Å; E770-T774 PolarHBondContact O-OG1 2.91Å; E770-L811 HydrophobicContact CB-CD1 4.47Å; E770-L811 HydrophobicContact CG-CD1 3.58Å; E770-L811 HydrophobicContact CG-CD2 3.42Å; E770-L811 VanDerWaalsContact CG-CD2 3.42Å; E770-L811 HydrophobicContact CG-CG 4.12Å; E770-L811 VanDerWaalsContact OE1-CD2 3.28Å; E770-L811 WeakPolarHBondContact OE1-CD2 3.46Å |
| 771 | L | 87.3 | Confident | 86.6 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -52.3 | -179.3 | -171.2 | 68.3 | 0 | 0 | 0 | 111.6 | R731 F734 L750 P767 I768 V769 T774 R775 | R731-L771 HydrophobicContact CB-CD2 3.78Å; R731-L771 HydrophobicContact CG-CD2 4.01Å; F734-L771 HydrophobicContact CB-CD1 3.73Å; F734-L771 HydrophobicContact CB-CD2 4.1Å; F734-L771 HydrophobicContact CB-CG 3.79Å; F734-L771 HydrophobicContact CD2-CD2 3.44Å; F734-L771 VanDerWaalsContact CD2-CD2 3.44Å; F734-L771 HydrophobicContact CD2-CG 3.92Å; F734-L771 HydrophobicContact CE2-CD2 4.12Å; F734-L771 HydrophobicContact CG-CD1 4.4Å; F734-L771 HydrophobicContact CG-CD2 3.96Å; F734-L771 HydrophobicContact CG-CG 3.9Å; L750-L771 HydrophobicContact CD1-CD2 4.29Å; P767-L771 WeakPolarHBondContact O-CB 3.42Å; P767-L771 PolarHBondContact O-N 3.47Å; P767-L771 VanDerWaalsContact O-N 3.09Å; I768-L771 WeakPolarHBondContact O-CB 3.48Å; I768-L771 PolarHBondContact O-N 2.89Å; V769-L771 VanDerWaalsContact C-N 3.3Å; V769-L771 PolarHBondContact O-N 3.11Å; L771-T774 PolarHBondContact O-N 2.97Å; L771-R775 PolarHBondContact O-N 3.38Å; L771-R775 VanDerWaalsContact O-N 3.14Å |
| 772 | V | 89.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -40.5 | -177.5 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | L750 I768 V769 T774 R775 L776 C789 V792 I793 | L750-V772 HydrophobicContact CD1-CG2 4.3Å; I768-V772 PolarHBondContact O-N 3.33Å; I768-V772 VanDerWaalsContact O-N 3.17Å; V769-V772 PolarHBondContact O-N 2.71Å; V772-T774 VanDerWaalsContact C-N 3.32Å; V772-T774 PolarHBondContact O-N 3.33Å; V772-R775 PolarHBondContact O-N 2.95Å; V772-R775 VanDerWaalsContact O-N 3.14Å; V772-L776 HydrophobicContact CG1-CD1 4.07Å; V772-L776 HydrophobicContact CG1-CG 4.37Å; V772-L776 WeakPolarHBondContact O-CG 3.44Å; V772-L776 PolarHBondContact O-N 3.16Å; V772-C789 HydrophobicContact CG1-CB 3.63Å; V772-C789 VanDerWaalsContact CG1-O 3.24Å; V772-C789 WeakPolarHBondContact CG1-O 3.47Å; V772-V792 HydrophobicContact CG2-CB 4.12Å; V772-V792 HydrophobicContact CG2-CG1 3.83Å; V772-V792 HydrophobicContact CG2-CG2 4.43Å; V772-I793 HydrophobicContact CG1-CD1 4.39Å; V772-I793 HydrophobicContact CG1-CG1 4.3Å |
| 773 | V | 88.4 | Confident | 86.4 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.9 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | V769 R775 L776 G777 I793 L820 | V769-V773 HydrophobicContact CG1-CG2 4Å; V769-V773 VanDerWaalsContact O-CB 3.27Å; V769-V773 WeakPolarHBondContact O-CB 3.49Å; V769-V773 WeakPolarHBondContact O-CG2 3.48Å; V769-V773 PolarHBondContact O-N 3.04Å; V773-R775 PolarHBondContact O-N 3.34Å; V773-L776 PolarHBondContact O-N 3.44Å; V773-G777 PolarHBondContact O-N 3.46Å; V773-G777 VanDerWaalsContact O-N 3.1Å; V773-I793 HydrophobicContact CG2-CD1 3.89Å; V773-L820 HydrophobicContact CB-CD2 4.3Å; V773-L820 HydrophobicContact CG1-CD1 3.58Å; V773-L820 HydrophobicContact CG1-CD2 3.7Å; V773-L820 HydrophobicContact CG1-CG 4.29Å; V773-L820 HydrophobicContact CG2-CD1 4.38Å; V773-L820 HydrophobicContact CG2-CD2 3.76Å |
| 774 | T | 85.3 | Confident | 86.4 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 57% | 0.571 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62 | -35.8 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | E770 L771 V772 | E770-T774 WeakPolarHBondContact O-CB 3.39Å; E770-T774 PolarHBondContact O-N 2.88Å; E770-T774 PolarHBondContact O-OG1 2.91Å; L771-T774 PolarHBondContact O-N 2.97Å; V772-T774 VanDerWaalsContact C-N 3.32Å; V772-T774 PolarHBondContact O-N 3.33Å |
| 775 | R | 84.9 | Confident | 86.5 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75 | -40.5 | 176.9 | -177.6 | 56.7 | -176.4 | 95.2 | -2.1 | 113.2 | F734 E740 E743 L771 V772 V773 G777 K778 E779 I780 F785 | F734-R775 HydrophobicContact CD1-CB 4.07Å; F734-R775 HydrophobicContact CD1-CG 4.06Å; F734-R775 HydrophobicContact CE1-CG 4.45Å; E740-R775 IonicContact OE1-NH2 3.99Å; E740-R775 PolarHBondContact OE1-NH2 3.25Å; E743-R775 VanDerWaalsContact CD-NE 3.3Å; E743-R775 WeakPolarHBondContact OE1-CD 3.49Å; E743-R775 IonicContact OE1-NE 2.8Å; E743-R775 PolarHBondContact OE1-NE 3.41Å; E743-R775 VanDerWaalsContact OE1-NE 3.13Å; E743-R775 IonicContact OE2-CZ 3.52Å; E743-R775 VanDerWaalsContact OE2-CZ 3.24Å; E743-R775 IonicContact OE2-NE 3.06Å; E743-R775 PolarHBondContact OE2-NE 2.88Å; E743-R775 IonicContact OE2-NH2 2.69Å; E743-R775 PolarHBondContact OE2-NH2 3.29Å; L771-R775 PolarHBondContact O-N 3.38Å; L771-R775 VanDerWaalsContact O-N 3.14Å; V772-R775 PolarHBondContact O-N 2.95Å; V772-R775 VanDerWaalsContact O-N 3.14Å; V773-R775 PolarHBondContact O-N 3.34Å; R775-G777 PolarHBondContact O-N 3.08Å; R775-K778 WeakPolarHBondContact O-CB 3.08Å; R775-K778 PolarHBondContact O-N 3.49Å; R775-E779 PolarHBondContact NH1-O 3.35Å; R775-I780 VanDerWaalsContact NH1-CG1 3.34Å; R775-F785 HydrophobicContact CG-CE1 3.96Å; R775-F785 HydrophobicContact CG-CZ 3.74Å |
| 776 | L | 85.9 | Confident | 86.5 | Confident | 45 Ų | 45 | 53 Ų | 53 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -23.6 | 173.1 | -77.1 | 171.6 | 0 | 0 | 0 | 113 | V772 V773 K778 I780 R786 C789 L790 I793 | V772-L776 HydrophobicContact CG1-CD1 4.07Å; V772-L776 HydrophobicContact CG1-CG 4.37Å; V772-L776 WeakPolarHBondContact O-CG 3.44Å; V772-L776 PolarHBondContact O-N 3.16Å; V773-L776 PolarHBondContact O-N 3.44Å; L776-K778 VanDerWaalsContact C-N 3.26Å; L776-K778 PolarHBondContact O-N 3.3Å; L776-I780 HydrophobicContact CD2-CD1 3.77Å; L776-R786 HydrophobicContact CD2-CG 4.2Å; L776-C789 HydrophobicContact CD1-CB 4.17Å; L776-C789 HydrophobicContact CD2-CB 3.62Å; L776-C789 HydrophobicContact CG-CB 3.85Å; L776-L790 HydrophobicContact CD1-CD2 4.31Å; L776-I793 HydrophobicContact CD1-CD1 3.87Å |
| 777 | G | 81.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V773 R775 | V773-G777 PolarHBondContact O-N 3.46Å; V773-G777 VanDerWaalsContact O-N 3.1Å; R775-G777 PolarHBondContact O-N 3.08Å |
| 778 | K | 83.4 | Confident | 86.8 | Confident | 88 Ų | 88 | 47 Ų | 47 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -97.7 | 165.2 | 174.1 | -60.2 | 177.7 | -174.9 | 169.8 | 0 | 109.8 | R775 L776 I780 | R775-K778 WeakPolarHBondContact O-CB 3.08Å; R775-K778 PolarHBondContact O-N 3.49Å; L776-K778 VanDerWaalsContact C-N 3.26Å; L776-K778 PolarHBondContact O-N 3.3Å; K778-I780 PolarHBondContact O-N 3.16Å |
| 779 | E | 80.5 | Confident | 86.9 | Confident | 150 Ų | 150 | 47 Ų | 47 | 70% | 0.701 | 25% | 0.254 | S | S | * | . | trans | -58.8 | 135.3 | 173.9 | -162.4 | 164.1 | -162.2 | 0 | 0 | 110.1 | R775 F781 | R775-E779 PolarHBondContact NH1-O 3.35Å; E779-F781 HydrophobicContact CG-CE1 4.17Å; E779-F781 HydrophobicContact CG-CE2 4.48Å; E779-F781 HydrophobicContact CG-CZ 3.99Å | ||
| 780 | I | 83.3 | Confident | 87.1 | Confident | 29 Ų | 29 | 47 Ų | 47 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | trans | -128.6 | 125.8 | 177.3 | -68.3 | 171.4 | 0 | 0 | 0 | 107.6 | E740 R775 L776 K778 A782 F785 R786 | E740-I780 VanDerWaalsContact OE1-CA 3.28Å; E740-I780 WeakPolarHBondContact OE1-CA 3.34Å; R775-I780 VanDerWaalsContact NH1-CG1 3.34Å; L776-I780 HydrophobicContact CD2-CD1 3.77Å; K778-I780 PolarHBondContact O-N 3.16Å; I780-A782 VanDerWaalsContact CG2-O 3.22Å; I780-A782 WeakPolarHBondContact CG2-O 3.37Å; I780-F785 HydrophobicContact CD1-CD1 4.24Å; I780-F785 HydrophobicContact CD1-CE1 4.18Å; I780-F785 HydrophobicContact CG1-CD1 4.16Å; I780-F785 HydrophobicContact CG1-CE1 4.18Å; I780-F785 HydrophobicContact CG2-CD1 3.84Å; I780-R786 HydrophobicContact CG2-CB 4.08Å | ||
| 781 | F | 82.5 | Confident | 87.4 | Confident | 153 Ų | 153 | 43.6 Ų | 43.6 | 67% | 0.671 | 24% | 0.238 | S | C | * | . | trans | -92.9 | -41.9 | -179.4 | -58.8 | -78.4 | 0 | 0 | 0 | 111.5 | E740 E779 | E740-F781 PolarHBondContact OE1-N 3.22Å; E740-F781 VanDerWaalsContact OE1-N 3.11Å; E740-F781 PolarHBondContact OE2-N 3.15Å; E740-F781 VanDerWaalsContact OE2-N 3.1Å; E779-F781 HydrophobicContact CG-CE1 4.17Å; E779-F781 HydrophobicContact CG-CE2 4.48Å; E779-F781 HydrophobicContact CG-CZ 3.99Å | ||
| 782 | A | 84.7 | Confident | 87.8 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | trans | -81.6 | 124.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | E740 I780 E784 F785 R786 | E740-A782 WeakPolarHBondContact OE2-CB 3.4Å; E740-A782 PolarHBondContact OE2-N 2.87Å; I780-A782 VanDerWaalsContact CG2-O 3.22Å; I780-A782 WeakPolarHBondContact CG2-O 3.37Å; A782-E784 VanDerWaalsContact C-N 3.33Å; A782-E784 PolarHBondContact O-N 3.12Å; A782-F785 HydrophobicContact CB-CB 4Å; A782-F785 PolarHBondContact O-N 3.43Å; A782-R786 PolarHBondContact O-N 3.01Å | ||
| 783 | V | 86.7 | Confident | 88 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 39% | 0.394 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 111 | R786 V787 T834 | V783-R786 WeakPolarHBondContact O-CB 3.49Å; V783-R786 PolarHBondContact O-N 3.23Å; V783-V787 HydrophobicContact CG1-CG2 4.41Å; V783-V787 WeakPolarHBondContact O-CG2 3.32Å; V783-V787 PolarHBondContact O-N 3.44Å; V783-T834 HydrophobicContact CG1-CG2 4.48Å |
| 784 | E | 87.8 | Confident | 88.4 | Confident | 60 Ų | 60 | 41.5 Ų | 41.5 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 179.2 | -176.4 | 166.8 | -145.1 | 0 | 0 | 112.4 | A782 R786 V787 L788 F956 | A782-E784 VanDerWaalsContact C-N 3.33Å; A782-E784 PolarHBondContact O-N 3.12Å; E784-R786 VanDerWaalsContact C-N 3.31Å; E784-R786 PolarHBondContact O-N 3.42Å; E784-V787 WeakPolarHBondContact O-CB 3.39Å; E784-V787 PolarHBondContact O-N 2.77Å; E784-V787 VanDerWaalsContact O-N 3.11Å; E784-L788 HydrophobicContact CG-CD1 4.33Å; E784-L788 WeakPolarHBondContact O-CG 3.49Å; E784-L788 PolarHBondContact O-N 3.36Å; E784-F956 HydrophobicContact CG-CD2 4.42Å; E784-F956 HydrophobicContact CG-CE2 4.29Å; E784-F956 WeakPolarHBondContact OE1-CD2 3.37Å |
| 785 | F | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 175.3 | 178.6 | -131.4 | 0 | 0 | 0 | 112.1 | F734 E740 E743 S744 A747 R775 I780 A782 V787 L788 C789 | F734-F785 HydrophobicContact CE1-CE2 4.3Å; F734-F785 HydrophobicContact CE1-CZ 4.24Å; E740-F785 HydrophobicContact CB-CD1 4.13Å; E740-F785 HydrophobicContact CB-CG 4.42Å; E740-F785 HydrophobicContact CG-CD1 4.38Å; E743-F785 HydrophobicContact CB-CD2 4.41Å; E743-F785 HydrophobicContact CB-CE1 4.37Å; E743-F785 HydrophobicContact CB-CE2 3.54Å; E743-F785 HydrophobicContact CB-CZ 3.5Å; E743-F785 VanDerWaalsContact CB-CZ 3.5Å; E743-F785 HydrophobicContact CG-CZ 4.43Å; S744-F785 WeakPolarHBondContact OG-CB 3.43Å; S744-F785 WeakPolarHBondContact OG-CD2 3.48Å; A747-F785 HydrophobicContact CB-CE2 4.42Å; R775-F785 HydrophobicContact CG-CE1 3.96Å; R775-F785 HydrophobicContact CG-CZ 3.74Å; I780-F785 HydrophobicContact CD1-CD1 4.24Å; I780-F785 HydrophobicContact CD1-CE1 4.18Å; I780-F785 HydrophobicContact CG1-CD1 4.16Å; I780-F785 HydrophobicContact CG1-CE1 4.18Å; I780-F785 HydrophobicContact CG2-CD1 3.84Å; A782-F785 HydrophobicContact CB-CB 4Å; A782-F785 PolarHBondContact O-N 3.43Å; F785-V787 VanDerWaalsContact C-N 3.34Å; F785-V787 PolarHBondContact O-N 3.29Å; F785-L788 PolarHBondContact O-N 3.48Å; F785-C789 WeakPolarHBondContact CE2-SG 3.37Å; F785-C789 VanDerWaalsContact CZ-SG 3.6Å; F785-C789 WeakPolarHBondContact O-CB 3.5Å; F785-C789 PolarHBondContact O-N 2.97Å |
| 786 | R | 90.4 | Very high | 89.4 | Confident | 52 Ų | 52 | 36.2 Ų | 36.2 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 174.6 | -173.3 | 172.5 | 67.3 | -117.8 | 5.5 | 111.1 | L776 I780 A782 V783 E784 C789 L790 E831 | L776-R786 HydrophobicContact CD2-CG 4.2Å; I780-R786 HydrophobicContact CG2-CB 4.08Å; A782-R786 PolarHBondContact O-N 3.01Å; V783-R786 WeakPolarHBondContact O-CB 3.49Å; V783-R786 PolarHBondContact O-N 3.23Å; E784-R786 VanDerWaalsContact C-N 3.31Å; E784-R786 PolarHBondContact O-N 3.42Å; R786-C789 PolarHBondContact O-N 2.91Å; R786-L790 WeakPolarHBondContact O-CG 3.5Å; R786-L790 PolarHBondContact O-N 3.31Å; R786-E831 IonicContact CZ-OE2 2.81Å; R786-E831 IonicContact NE-OE2 2.62Å; R786-E831 PolarHBondContact NE-OE2 3.14Å; R786-E831 IonicContact NH2-OE2 3.58Å; R786-E831 PolarHBondContact NH2-OE2 3.38Å |
| 787 | V | 91.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 111 | V783 E784 F785 C789 L790 S791 F835 N840 | V783-V787 HydrophobicContact CG1-CG2 4.41Å; V783-V787 WeakPolarHBondContact O-CG2 3.32Å; V783-V787 PolarHBondContact O-N 3.44Å; E784-V787 WeakPolarHBondContact O-CB 3.39Å; E784-V787 PolarHBondContact O-N 2.77Å; E784-V787 VanDerWaalsContact O-N 3.11Å; F785-V787 VanDerWaalsContact C-N 3.34Å; F785-V787 PolarHBondContact O-N 3.29Å; V787-C789 VanDerWaalsContact C-N 3.34Å; V787-C789 PolarHBondContact O-N 3.02Å; V787-L790 CarbonylContact O-C 3.54Å; V787-L790 WeakPolarHBondContact O-CB 3.29Å; V787-L790 PolarHBondContact O-N 3.45Å; V787-L790 VanDerWaalsContact O-N 3.13Å; V787-S791 PolarHBondContact O-N 2.75Å; V787-S791 PolarHBondContact O-OG 2.99Å; V787-F835 HydrophobicContact CG1-CD1 3.72Å; V787-F835 HydrophobicContact CG1-CE1 3.84Å; V787-F835 HydrophobicContact CG1-CG 4.12Å; V787-F835 HydrophobicContact CG1-CZ 4.36Å; V787-N840 HydrophobicContact CG1-CB 4.38Å |
| 788 | L | 92.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.4 | -72.3 | 169 | 0 | 0 | 0 | 112 | A747 K748 E784 F785 L790 S791 V792 F956 | A747-L788 HydrophobicContact CB-CB 4.01Å; K748-L788 HydrophobicContact CB-CD2 4.37Å; K748-L788 HydrophobicContact CD-CD2 4.1Å; E784-L788 HydrophobicContact CG-CD1 4.33Å; E784-L788 WeakPolarHBondContact O-CG 3.49Å; E784-L788 PolarHBondContact O-N 3.36Å; F785-L788 PolarHBondContact O-N 3.48Å; L788-L790 PolarHBondContact O-N 3.07Å; L788-S791 WeakPolarHBondContact O-CB 3.49Å; L788-S791 PolarHBondContact O-N 3.21Å; L788-V792 WeakPolarHBondContact O-CG2 3.49Å; L788-V792 PolarHBondContact O-N 3.33Å; L788-F956 HydrophobicContact CD1-CD1 4.36Å; L788-F956 HydrophobicContact CD1-CD2 4Å; L788-F956 HydrophobicContact CD1-CE1 4.21Å; L788-F956 HydrophobicContact CD1-CE2 3.85Å; L788-F956 HydrophobicContact CD1-CG 4.27Å; L788-F956 HydrophobicContact CD1-CZ 3.96Å |
| 789 | C | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -42 | 174.5 | -78.8 | 0 | 0 | 0 | 0 | 112.1 | V772 L776 F785 R786 V787 V792 | V772-C789 HydrophobicContact CG1-CB 3.63Å; V772-C789 VanDerWaalsContact CG1-O 3.24Å; V772-C789 WeakPolarHBondContact CG1-O 3.47Å; L776-C789 HydrophobicContact CD1-CB 4.17Å; L776-C789 HydrophobicContact CD2-CB 3.62Å; L776-C789 HydrophobicContact CG-CB 3.85Å; F785-C789 WeakPolarHBondContact CE2-SG 3.37Å; F785-C789 VanDerWaalsContact CZ-SG 3.6Å; F785-C789 WeakPolarHBondContact O-CB 3.5Å; F785-C789 PolarHBondContact O-N 2.97Å; R786-C789 PolarHBondContact O-N 2.91Å; V787-C789 VanDerWaalsContact C-N 3.34Å; V787-C789 PolarHBondContact O-N 3.02Å; C789-V792 PolarHBondContact O-N 3.33Å |
| 790 | L | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 172.3 | -65.8 | 174.3 | 0 | 0 | 0 | 111 | L776 R786 V787 L788 V792 I793 I794 F824 E831 F835 | L776-L790 HydrophobicContact CD1-CD2 4.31Å; R786-L790 WeakPolarHBondContact O-CG 3.5Å; R786-L790 PolarHBondContact O-N 3.31Å; V787-L790 CarbonylContact O-C 3.54Å; V787-L790 WeakPolarHBondContact O-CB 3.29Å; V787-L790 PolarHBondContact O-N 3.45Å; V787-L790 VanDerWaalsContact O-N 3.13Å; L788-L790 PolarHBondContact O-N 3.07Å; L790-V792 VanDerWaalsContact C-N 3.28Å; L790-V792 PolarHBondContact O-N 3.23Å; L790-I793 PolarHBondContact O-N 3.46Å; L790-I794 HydrophobicContact CB-CD1 4.45Å; L790-I794 WeakPolarHBondContact O-CG1 3.48Å; L790-I794 PolarHBondContact O-N 2.98Å; L790-F824 HydrophobicContact CD2-CD2 4.09Å; L790-F824 HydrophobicContact CD2-CE2 3.72Å; L790-E831 HydrophobicContact CD1-CB 4.43Å; L790-F835 HydrophobicContact CB-CZ 3.86Å; L790-F835 HydrophobicContact CD1-CE2 4.31Å; L790-F835 HydrophobicContact CD1-CZ 4.2Å |
| 791 | S | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.5 | -37.6 | 176.8 | -67 | 0 | 0 | 0 | 0 | 112.6 | V787 L788 I793 I794 A795 | V787-S791 PolarHBondContact O-N 2.75Å; V787-S791 PolarHBondContact O-OG 2.99Å; L788-S791 WeakPolarHBondContact O-CB 3.49Å; L788-S791 PolarHBondContact O-N 3.21Å; S791-I793 PolarHBondContact O-N 3.35Å; S791-I794 CarbonylContact O-C 3.56Å; S791-I794 PolarHBondContact O-N 3.48Å; S791-A795 VanDerWaalsContact O-CB 3.29Å; S791-A795 WeakPolarHBondContact O-CB 3.47Å; S791-A795 PolarHBondContact O-N 3.15Å |
| 792 | V | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | A747 L750 E751 L754 I768 V772 L788 C789 L790 A795 A796 | A747-V792 HydrophobicContact CB-CG2 4.19Å; A747-V792 WeakPolarHBondContact O-CG2 3.41Å; L750-V792 HydrophobicContact CB-CG1 4.1Å; L750-V792 HydrophobicContact CB-CG2 4.12Å; E751-V792 HydrophobicContact CB-CG2 4.18Å; L754-V792 HydrophobicContact CD1-CG1 3.85Å; L754-V792 VanDerWaalsContact CD1-O 3.31Å; L754-V792 WeakPolarHBondContact CD1-O 3.34Å; I768-V792 HydrophobicContact CG2-CG1 3.61Å; V772-V792 HydrophobicContact CG2-CB 4.12Å; V772-V792 HydrophobicContact CG2-CG1 3.83Å; V772-V792 HydrophobicContact CG2-CG2 4.43Å; L788-V792 WeakPolarHBondContact O-CG2 3.49Å; L788-V792 PolarHBondContact O-N 3.33Å; C789-V792 PolarHBondContact O-N 3.33Å; L790-V792 VanDerWaalsContact C-N 3.28Å; L790-V792 PolarHBondContact O-N 3.23Å; V792-A795 PolarHBondContact O-N 2.97Å; V792-A796 PolarHBondContact O-N 3.01Å; V792-A796 VanDerWaalsContact O-N 3.08Å |
| 793 | I | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.5 | -38.5 | 177.6 | -56.9 | 173.3 | 0 | 0 | 0 | 110.2 | V772 V773 L776 L790 S791 A795 A796 L797 L808 F824 | V772-I793 HydrophobicContact CG1-CD1 4.39Å; V772-I793 HydrophobicContact CG1-CG1 4.3Å; V773-I793 HydrophobicContact CG2-CD1 3.89Å; L776-I793 HydrophobicContact CD1-CD1 3.87Å; L790-I793 PolarHBondContact O-N 3.46Å; S791-I793 PolarHBondContact O-N 3.35Å; I793-A795 VanDerWaalsContact C-N 3.3Å; I793-A795 PolarHBondContact O-N 2.82Å; I793-A796 WeakPolarHBondContact O-CB 2.88Å; I793-A796 PolarHBondContact O-N 3.42Å; I793-L797 PolarHBondContact O-N 3.34Å; I793-L797 VanDerWaalsContact O-N 3.09Å; I793-L808 HydrophobicContact CG2-CD1 4.2Å; I793-L808 HydrophobicContact CG2-CD2 4.13Å; I793-F824 HydrophobicContact CB-CD2 4.43Å; I793-F824 HydrophobicContact CB-CE2 3.63Å; I793-F824 HydrophobicContact CB-CZ 3.7Å; I793-F824 HydrophobicContact CD1-CD2 3.77Å; I793-F824 HydrophobicContact CD1-CE2 3.68Å; I793-F824 HydrophobicContact CG1-CE2 4.24Å; I793-F824 HydrophobicContact CG2-CD1 4.17Å; I793-F824 HydrophobicContact CG2-CD2 4.05Å; I793-F824 HydrophobicContact CG2-CE1 3.67Å; I793-F824 HydrophobicContact CG2-CE2 3.52Å; I793-F824 HydrophobicContact CG2-CG 4.35Å; I793-F824 HydrophobicContact CG2-CZ 3.32Å |
| 794 | I | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 175 | -60.4 | 164.2 | 0 | 0 | 0 | 110.4 | L790 S791 A796 L797 V798 F824 W828 F835 M843 | L790-I794 HydrophobicContact CB-CD1 4.45Å; L790-I794 WeakPolarHBondContact O-CG1 3.48Å; L790-I794 PolarHBondContact O-N 2.98Å; S791-I794 CarbonylContact O-C 3.56Å; S791-I794 PolarHBondContact O-N 3.48Å; I794-A796 VanDerWaalsContact C-N 3.3Å; I794-A796 PolarHBondContact O-N 3.27Å; I794-L797 WeakPolarHBondContact O-CA 3.27Å; I794-L797 WeakPolarHBondContact O-CB 3.36Å; I794-L797 PolarHBondContact O-N 3.12Å; I794-V798 WeakPolarHBondContact O-CG2 3.45Å; I794-V798 PolarHBondContact O-N 3.29Å; I794-F824 HydrophobicContact CG1-CZ 4.19Å; I794-W828 HydrophobicContact CD1-CD2 4.18Å; I794-W828 VanDerWaalsContact CD1-CE2 3.5Å; I794-W828 HydrophobicContact CD1-CG 4.38Å; I794-W828 HydrophobicContact CD1-CZ2 3.84Å; I794-W828 VanDerWaalsContact CD1-NE1 3.27Å; I794-W828 HydrophobicContact CG1-CD2 4.13Å; I794-W828 HydrophobicContact CG1-CH2 4.18Å; I794-W828 HydrophobicContact CG1-CZ2 3.73Å; I794-W828 HydrophobicContact CG2-CH2 4.25Å; I794-W828 HydrophobicContact CG2-CZ2 3.95Å; I794-F835 HydrophobicContact CD1-CE1 3.69Å; I794-F835 HydrophobicContact CD1-CZ 3.61Å; I794-M843 HydrophobicContact CB-CE 4.29Å; I794-M843 HydrophobicContact CG2-CE 3.71Å; I794-M843 HydrophobicContact CG2-CG 4.37Å; I794-M843 WeakPolarHBondContact CG2-O 3.41Å |
| 795 | A | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E751 L754 L755 S791 V792 I793 L797 V798 Y799 M843 | E751-A795 HydrophobicContact CG-CB 4.19Å; L754-A795 HydrophobicContact CB-CB 4.05Å; L754-A795 HydrophobicContact CD1-CB 3.9Å; L755-A795 HydrophobicContact CD2-CB 4.14Å; L755-A795 HydrophobicContact CG-CB 4.19Å; S791-A795 VanDerWaalsContact O-CB 3.29Å; S791-A795 WeakPolarHBondContact O-CB 3.47Å; S791-A795 PolarHBondContact O-N 3.15Å; V792-A795 PolarHBondContact O-N 2.97Å; I793-A795 VanDerWaalsContact C-N 3.3Å; I793-A795 PolarHBondContact O-N 2.82Å; A795-L797 VanDerWaalsContact C-N 3.34Å; A795-L797 PolarHBondContact O-N 2.99Å; A795-V798 PolarHBondContact O-N 3.43Å; A795-Y799 WeakPolarHBondContact O-CB 3.45Å; A795-Y799 PolarHBondContact O-N 3.37Å; A795-M843 VanDerWaalsContact CA-CE 3.4Å; A795-M843 HydrophobicContact CB-CE 4.01Å; A795-M843 HydrophobicContact CB-SD 4.41Å |
| 796 | A | 95.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L754 I765 V769 V792 I793 I794 Y799 N800 A804 | L754-A796 HydrophobicContact CD1-CB 4.32Å; I765-A796 HydrophobicContact CG2-CB 4.1Å; V769-A796 HydrophobicContact CG2-CB 4Å; V792-A796 PolarHBondContact O-N 3.01Å; V792-A796 VanDerWaalsContact O-N 3.08Å; I793-A796 WeakPolarHBondContact O-CB 2.88Å; I793-A796 PolarHBondContact O-N 3.42Å; I794-A796 VanDerWaalsContact C-N 3.3Å; I794-A796 PolarHBondContact O-N 3.27Å; A796-Y799 WeakPolarHBondContact O-CB 3.45Å; A796-Y799 PolarHBondContact O-N 3.44Å; A796-N800 PolarHBondContact O-N 3.35Å; A796-A804 HydrophobicContact CB-CB 4.17Å; A796-A804 WeakPolarHBondContact O-CB 3.25Å |
| 797 | L | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 174.4 | -72.5 | 167 | 0 | 0 | 0 | 112.2 | I793 I794 A795 Y799 N800 P801 A804 I805 F824 W828 I851 | I793-L797 PolarHBondContact O-N 3.34Å; I793-L797 VanDerWaalsContact O-N 3.09Å; I794-L797 WeakPolarHBondContact O-CA 3.27Å; I794-L797 WeakPolarHBondContact O-CB 3.36Å; I794-L797 PolarHBondContact O-N 3.12Å; A795-L797 VanDerWaalsContact C-N 3.34Å; A795-L797 PolarHBondContact O-N 2.99Å; L797-Y799 VanDerWaalsContact C-N 3.33Å; L797-N800 CarbonylContact O-C 3.53Å; L797-P801 WeakPolarHBondContact O-CA 3.42Å; L797-P801 WeakPolarHBondContact O-CD 3.38Å; L797-P801 WeakPolarHBondContact O-CG 3.3Å; L797-P801 VanDerWaalsContact O-N 3.14Å; L797-A804 HydrophobicContact CD2-CB 3.77Å; L797-A804 HydrophobicContact CG-CB 4.14Å; L797-I805 HydrophobicContact CD2-CD1 3.99Å; L797-I805 HydrophobicContact CD2-CG1 4.12Å; L797-F824 HydrophobicContact CD1-CE1 3.92Å; L797-W828 HydrophobicContact CD1-CE3 4.5Å; L797-W828 HydrophobicContact CD1-CH2 4.16Å; L797-W828 HydrophobicContact CD1-CZ3 3.69Å; L797-I851 HydrophobicContact CD1-CG2 4.03Å; L797-I851 HydrophobicContact CD2-CG2 4.15Å |
| 798 | V | 93 | Very high | 93.6 | Very high | 7 Ų | 7 | 20.5 Ų | 20.5 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.9 | -36.3 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L755 R758 I794 A795 M843 F846 | L755-V798 HydrophobicContact CD2-CG1 4.23Å; R758-V798 VanDerWaalsContact CZ-O 3.3Å; R758-V798 PolarHBondContact NE-O 2.79Å; R758-V798 PolarHBondContact NH2-O 2.87Å; I794-V798 WeakPolarHBondContact O-CG2 3.45Å; I794-V798 PolarHBondContact O-N 3.29Å; A795-V798 PolarHBondContact O-N 3.43Å; V798-M843 HydrophobicContact CB-CE 3.76Å; V798-M843 HydrophobicContact CG1-CE 4.41Å; V798-M843 HydrophobicContact CG2-CE 3.34Å; V798-F846 HydrophobicContact CG1-CB 4.46Å; V798-F846 HydrophobicContact CG2-CB 3.74Å |
| 799 | Y | 93.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 25 Ų | 25 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.7 | -61.8 | 175 | 175 | -84 | 0 | 0 | 0 | 111.2 | L754 F757 R758 G759 Q760 I761 D762 I765 A795 A796 L797 | L754-Y799 VanDerWaalsContact O-CD2 3.25Å; L754-Y799 WeakPolarHBondContact O-CD2 3.38Å; F757-Y799 WeakPolarHBondContact O-CE2 3.49Å; R758-Y799 HydrophobicContact CB-CD2 4.21Å; R758-Y799 HydrophobicContact CB-CE2 4.46Å; R758-Y799 HydrophobicContact CG-CD2 4.06Å; R758-Y799 HydrophobicContact CG-CG 4.49Å; R758-Y799 PolarHBondContact NE-O 2.91Å; R758-Y799 VanDerWaalsContact NE-O 3.16Å; G759-Y799 VanDerWaalsContact C-OH 3.27Å; G759-Y799 VanDerWaalsContact CA-OH 3.28Å; G759-Y799 WeakPolarHBondContact CA-OH 3.48Å; G759-Y799 PolarHBondContact N-OH 3.31Å; G759-Y799 VanDerWaalsContact N-OH 3.15Å; Q760-Y799 PolarHBondContact N-OH 3.01Å; I761-Y799 HydrophobicContact CG1-CE2 3.75Å; I761-Y799 PolarHBondContact N-OH 3.1Å; D762-Y799 PolarHBondContact N-OH 3.41Å; D762-Y799 WeakPolarHBondContact OD1-CE1 3.46Å; D762-Y799 VanDerWaalsContact OD1-CZ 3.28Å; D762-Y799 PolarHBondContact OD1-OH 3.39Å; I765-Y799 HydrophobicContact CD1-CD1 3.68Å; I765-Y799 HydrophobicContact CD1-CD2 4.36Å; I765-Y799 HydrophobicContact CD1-CE1 3.78Å; I765-Y799 HydrophobicContact CD1-CE2 4.36Å; I765-Y799 HydrophobicContact CD1-CG 4.05Å; I765-Y799 HydrophobicContact CG1-CD1 4.13Å; I765-Y799 HydrophobicContact CG1-CE1 3.96Å; A795-Y799 WeakPolarHBondContact O-CB 3.45Å; A795-Y799 PolarHBondContact O-N 3.37Å; A796-Y799 WeakPolarHBondContact O-CB 3.45Å; A796-Y799 PolarHBondContact O-N 3.44Å; L797-Y799 VanDerWaalsContact C-N 3.33Å |
| 800 | N | 93.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 27.9 Ų | 27.9 | 26% | 0.262 | 15% | 0.146 | S | C | . | . | trans | -153.2 | 101.6 | 178 | -175.7 | -20.5 | 0 | 0 | 0 | 109.7 | A796 L797 E802 L803 A804 | A796-N800 PolarHBondContact O-N 3.35Å; L797-N800 CarbonylContact O-C 3.53Å; N800-E802 VanDerWaalsContact C-N 3.34Å; N800-E802 PolarHBondContact O-N 2.9Å; N800-E802 PolarHBondContact OD1-N 3.24Å; N800-L803 HydrophobicContact CB-CB 4Å; N800-L803 PolarHBondContact O-N 3.21Å; N800-L803 PolarHBondContact OD1-N 3.37Å; N800-A804 WeakPolarHBondContact O-CB 3.11Å; N800-A804 PolarHBondContact O-N 3.21Å | ||
| 801 | P | 92.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 29 Ų | 29 | 21% | 0.208 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | -175 | -20.1 | 27.4 | 0 | 0 | 0 | 112.9 | L797 I805 A850 L854 | L797-P801 WeakPolarHBondContact O-CA 3.42Å; L797-P801 WeakPolarHBondContact O-CD 3.38Å; L797-P801 WeakPolarHBondContact O-CG 3.3Å; L797-P801 VanDerWaalsContact O-N 3.14Å; P801-I805 WeakPolarHBondContact O-CB 3.35Å; P801-I805 WeakPolarHBondContact O-CG1 3.48Å; P801-I805 PolarHBondContact O-N 2.97Å; P801-A850 HydrophobicContact CG-CB 4.1Å; P801-L854 HydrophobicContact CB-CD2 3.73Å; P801-L854 HydrophobicContact CB-CG 4.41Å |
| 802 | E | 92.7 | Very high | 92 | Very high | 135 Ų | 135 | 39.3 Ų | 39.3 | 63% | 0.631 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -66.3 | -46 | -176.3 | -65.4 | 178.2 | 178.9 | 0 | 0 | 110.8 | N800 I805 E806 L854 | N800-E802 VanDerWaalsContact C-N 3.34Å; N800-E802 PolarHBondContact O-N 2.9Å; N800-E802 PolarHBondContact OD1-N 3.24Å; E802-I805 PolarHBondContact O-N 3.43Å; E802-E806 PolarHBondContact O-N 3.13Å; E802-L854 HydrophobicContact CG-CD2 4.38Å |
| 803 | L | 93.1 | Very high | 90.7 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.5 | 179.2 | 61 | 0 | 0 | 0 | 111.9 | D762 I765 N800 I805 E806 V807 | D762-L803 HydrophobicContact CB-CD2 3.89Å; I765-L803 HydrophobicContact CB-CD2 4.23Å; I765-L803 HydrophobicContact CG1-CD2 3.87Å; N800-L803 HydrophobicContact CB-CB 4Å; N800-L803 PolarHBondContact O-N 3.21Å; N800-L803 PolarHBondContact OD1-N 3.37Å; L803-I805 VanDerWaalsContact C-N 3.34Å; L803-I805 PolarHBondContact O-N 2.79Å; L803-E806 PolarHBondContact O-N 3.41Å; L803-V807 HydrophobicContact CD1-CG2 4.38Å; L803-V807 VanDerWaalsContact O-CG2 3.31Å; L803-V807 WeakPolarHBondContact O-CG2 3.43Å; L803-V807 PolarHBondContact O-N 2.95Å |
| 804 | A | 93.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A796 L797 N800 V807 L808 | A796-A804 HydrophobicContact CB-CB 4.17Å; A796-A804 WeakPolarHBondContact O-CB 3.25Å; L797-A804 HydrophobicContact CD2-CB 3.77Å; L797-A804 HydrophobicContact CG-CB 4.14Å; N800-A804 WeakPolarHBondContact O-CB 3.11Å; N800-A804 PolarHBondContact O-N 3.21Å; A804-V807 PolarHBondContact O-N 3.47Å; A804-L808 WeakPolarHBondContact O-CB 3.41Å; A804-L808 VanDerWaalsContact O-CG 3.28Å; A804-L808 WeakPolarHBondContact O-CG 3.28Å; A804-L808 PolarHBondContact O-N 2.9Å |
| 805 | I | 93.2 | Very high | 87.2 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.5 | -67.9 | -67.4 | 0 | 0 | 0 | 111.2 | L797 P801 E802 L803 V807 L808 L809 L821 L854 P858 | L797-I805 HydrophobicContact CD2-CD1 3.99Å; L797-I805 HydrophobicContact CD2-CG1 4.12Å; P801-I805 WeakPolarHBondContact O-CB 3.35Å; P801-I805 WeakPolarHBondContact O-CG1 3.48Å; P801-I805 PolarHBondContact O-N 2.97Å; E802-I805 PolarHBondContact O-N 3.43Å; L803-I805 VanDerWaalsContact C-N 3.34Å; L803-I805 PolarHBondContact O-N 2.79Å; I805-V807 VanDerWaalsContact C-N 3.31Å; I805-V807 PolarHBondContact O-N 3.14Å; I805-L808 PolarHBondContact O-N 2.96Å; I805-L809 HydrophobicContact CG2-CD1 3.88Å; I805-L809 HydrophobicContact CG2-CG 4.41Å; I805-L809 WeakPolarHBondContact O-CB 3.32Å; I805-L809 VanDerWaalsContact O-CG 3.3Å; I805-L809 WeakPolarHBondContact O-CG 3.42Å; I805-L809 PolarHBondContact O-N 2.9Å; I805-L821 HydrophobicContact CD1-CD1 3.42Å; I805-L821 VanDerWaalsContact CD1-CD1 3.42Å; I805-L821 HydrophobicContact CD1-CD2 4.26Å; I805-L821 HydrophobicContact CD1-CG 4.49Å; I805-L821 HydrophobicContact CG2-CD2 4.22Å; I805-L854 HydrophobicContact CD1-CD1 4.33Å; I805-L854 HydrophobicContact CG1-CD1 4.05Å; I805-P858 HydrophobicContact CG2-CG 3.79Å |
| 806 | E | 92.3 | Very high | 85.4 | Confident | 136 Ų | 136 | 57.6 Ų | 57.6 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.8 | -45.3 | 175.3 | -174.9 | -174.8 | 165.3 | 0 | 0 | 111.3 | E802 L803 L809 S810 | E802-E806 PolarHBondContact O-N 3.13Å; L803-E806 PolarHBondContact O-N 3.41Å; E806-L809 PolarHBondContact O-N 2.88Å; E806-S810 WeakPolarHBondContact O-CB 3.47Å; E806-S810 PolarHBondContact O-N 2.88Å |
| 807 | V | 91.7 | Very high | 83.7 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.1 | -51.8 | 176.9 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | I765 K766 V769 L803 A804 I805 L809 S810 L811 | I765-V807 HydrophobicContact CG2-CG2 4.44Å; K766-V807 HydrophobicContact CB-CG1 4.04Å; K766-V807 HydrophobicContact CB-CG2 3.79Å; K766-V807 HydrophobicContact CG-CG1 4.16Å; K766-V807 HydrophobicContact CG-CG2 4.45Å; V769-V807 HydrophobicContact CB-CG1 3.95Å; V769-V807 HydrophobicContact CG1-CG1 4Å; V769-V807 HydrophobicContact CG2-CG1 4.35Å; L803-V807 HydrophobicContact CD1-CG2 4.38Å; L803-V807 VanDerWaalsContact O-CG2 3.31Å; L803-V807 WeakPolarHBondContact O-CG2 3.43Å; L803-V807 PolarHBondContact O-N 2.95Å; A804-V807 PolarHBondContact O-N 3.47Å; I805-V807 VanDerWaalsContact C-N 3.31Å; I805-V807 PolarHBondContact O-N 3.14Å; V807-L809 VanDerWaalsContact C-N 3.28Å; V807-L809 PolarHBondContact O-N 2.8Å; V807-S810 WeakPolarHBondContact O-CA 3.33Å; V807-S810 WeakPolarHBondContact O-CB 3.37Å; V807-S810 PolarHBondContact O-N 3.48Å; V807-S810 PolarHBondContact O-OG 2.98Å; V807-L811 HydrophobicContact CG1-CD1 4.17Å; V807-L811 WeakPolarHBondContact O-CG 3.23Å; V807-L811 PolarHBondContact O-N 3.35Å |
| 808 | L | 91.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -36.1 | -179.8 | -72.7 | 169.6 | 0 | 0 | 0 | 112.4 | V769 I793 A804 I805 S810 L811 L820 L821 F824 | V769-L808 HydrophobicContact CG1-CD2 3.78Å; V769-L808 HydrophobicContact CG1-CG 4.49Å; I793-L808 HydrophobicContact CG2-CD1 4.2Å; I793-L808 HydrophobicContact CG2-CD2 4.13Å; A804-L808 WeakPolarHBondContact O-CB 3.41Å; A804-L808 VanDerWaalsContact O-CG 3.28Å; A804-L808 WeakPolarHBondContact O-CG 3.28Å; A804-L808 PolarHBondContact O-N 2.9Å; I805-L808 PolarHBondContact O-N 2.96Å; L808-S810 VanDerWaalsContact C-N 3.32Å; L808-L811 PolarHBondContact O-N 3.33Å; L808-L820 HydrophobicContact CD2-CD2 3.84Å; L808-L820 HydrophobicContact CD2-CG 4.25Å; L808-L821 HydrophobicContact CB-CB 4.14Å; L808-L821 HydrophobicContact CB-CD1 4.03Å; L808-L821 HydrophobicContact CD1-CD1 3.81Å; L808-F824 HydrophobicContact CD1-CD1 4.11Å; L808-F824 HydrophobicContact CD1-CE1 4.49Å |
| 809 | L | 89.6 | Confident | 82 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.7 | -28.7 | 173.8 | -73.8 | 170.8 | 0 | 0 | 0 | 113 | I805 E806 V807 L811 L821 | I805-L809 HydrophobicContact CG2-CD1 3.88Å; I805-L809 HydrophobicContact CG2-CG 4.41Å; I805-L809 WeakPolarHBondContact O-CB 3.32Å; I805-L809 VanDerWaalsContact O-CG 3.3Å; I805-L809 WeakPolarHBondContact O-CG 3.42Å; I805-L809 PolarHBondContact O-N 2.9Å; E806-L809 PolarHBondContact O-N 2.88Å; V807-L809 VanDerWaalsContact C-N 3.28Å; V807-L809 PolarHBondContact O-N 2.8Å; L809-L811 VanDerWaalsContact C-N 3.26Å; L809-L811 PolarHBondContact O-N 3.27Å; L809-L821 HydrophobicContact CD1-CD2 4.46Å; L809-L821 HydrophobicContact CD2-CB 4.08Å; L809-L821 HydrophobicContact CD2-CD2 3.69Å; L809-L821 HydrophobicContact CG-CB 4.45Å; L809-L821 HydrophobicContact CG-CD2 3.93Å |
| 810 | S | 88.2 | Confident | 81.6 | Confident | 62 Ų | 62 | 70 Ų | 70 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.6 | -15.4 | 178.6 | 82.8 | 0 | 0 | 0 | 0 | 113.6 | K766 E806 V807 L808 | K766-S810 PolarHBondContact NZ-OG 3.44Å; E806-S810 WeakPolarHBondContact O-CB 3.47Å; E806-S810 PolarHBondContact O-N 2.88Å; V807-S810 WeakPolarHBondContact O-CA 3.33Å; V807-S810 WeakPolarHBondContact O-CB 3.37Å; V807-S810 PolarHBondContact O-N 3.48Å; V807-S810 PolarHBondContact O-OG 2.98Å; L808-S810 VanDerWaalsContact C-N 3.32Å |
| 811 | L | 85.4 | Confident | 81.4 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | trans | -103.4 | 157.7 | -177.9 | -59.6 | 177.5 | 0 | 0 | 0 | 111.5 | V769 E770 V807 L808 L809 L820 | V769-L811 HydrophobicContact CG1-CD1 4.05Å; E770-L811 HydrophobicContact CB-CD1 4.47Å; E770-L811 HydrophobicContact CG-CD1 3.58Å; E770-L811 HydrophobicContact CG-CD2 3.42Å; E770-L811 VanDerWaalsContact CG-CD2 3.42Å; E770-L811 HydrophobicContact CG-CG 4.12Å; E770-L811 VanDerWaalsContact OE1-CD2 3.28Å; E770-L811 WeakPolarHBondContact OE1-CD2 3.46Å; V807-L811 HydrophobicContact CG1-CD1 4.17Å; V807-L811 WeakPolarHBondContact O-CG 3.23Å; V807-L811 PolarHBondContact O-N 3.35Å; L808-L811 PolarHBondContact O-N 3.33Å; L809-L811 VanDerWaalsContact C-N 3.26Å; L809-L811 PolarHBondContact O-N 3.27Å; L811-L820 HydrophobicContact CB-CB 4.39Å; L811-L820 HydrophobicContact CB-CD2 3.48Å; L811-L820 VanDerWaalsContact CB-CD2 3.48Å; L811-L820 HydrophobicContact CD1-CD2 3.92Å; L811-L820 HydrophobicContact CG-CD2 4.33Å | ||
| 812 | R | 76.4 | Confident | 81.2 | Confident | 216 Ų | 216 | 68.1 Ų | 68.1 | 82% | 0.815 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -128.7 | 146.5 | 179.1 | -65.2 | -168.4 | 178.7 | -150.7 | -0.9 | 110.7 | ||
| 813 | V | 68.3 | Low | 81 | Confident | 45 Ų | 45 | 66 Ų | 66 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | trans | -68.7 | 138 | 167.3 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | E815 G816 L820 H823 | V813-E815 PolarHBondContact O-N 3.49Å; V813-E815 VanDerWaalsContact O-N 3.13Å; V813-G816 PolarHBondContact O-N 3.38Å; V813-L820 HydrophobicContact CG2-CB 4.33Å; V813-L820 HydrophobicContact CG2-CD1 3.82Å; V813-H823 HydrophobicContact CG2-CB 3.99Å | ||
| 814 | A | 60.2 | Low | 80.9 | Confident | 92 Ų | 92 | 64.7 Ų | 64.7 | 76% | 0.76 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 121.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G816 | A814-G816 VanDerWaalsContact C-N 3.28Å; A814-G816 PolarHBondContact O-N 2.91Å; A814-G816 VanDerWaalsContact O-N 3.1Å |
| 815 | E | 56.4 | Low | 80.8 | Confident | 210 Ų | 210 | 64.6 Ų | 64.6 | 98% | 0.981 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 1.6 | 175.1 | -54.3 | -170.5 | 156.9 | 0 | 0 | 118.8 | V813 | V813-E815 PolarHBondContact O-N 3.49Å; V813-E815 VanDerWaalsContact O-N 3.13Å |
| 816 | G | 58.3 | Low | 80.7 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | trans | -91.7 | 154.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | V813 A814 | V813-G816 PolarHBondContact O-N 3.38Å; A814-G816 VanDerWaalsContact C-N 3.28Å; A814-G816 PolarHBondContact O-N 2.91Å; A814-G816 VanDerWaalsContact O-N 3.1Å | ||
| 817 | S | 61 | Low | 80.5 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 93% | 0.93 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -84 | -16.5 | 171.1 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 818 | E | 71.6 | Confident | 80.6 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -78.6 | 148 | 179.5 | -66.1 | -170.8 | 159.9 | 0 | 0 | 111.4 | ||
| 819 | S | 79.7 | Confident | 80.6 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 148.7 | 173.2 | 92.4 | 0 | 0 | 0 | 0 | 109.7 | L821 D822 H823 | S819-L821 PolarHBondContact O-N 3Å; S819-L821 PolarHBondContact OG-N 3.13Å; S819-D822 WeakPolarHBondContact CB-OD2 3.49Å; S819-D822 WeakPolarHBondContact O-CB 3.43Å; S819-D822 PolarHBondContact O-N 2.8Å; S819-D822 VanDerWaalsContact O-N 3.09Å; S819-D822 PolarHBondContact OG-N 2.88Å; S819-D822 VanDerWaalsContact OG-N 3.09Å; S819-D822 PolarHBondContact OG-OD2 3Å; S819-H823 PolarHBondContact O-N 3.06Å; S819-H823 VanDerWaalsContact O-N 3.14Å |
| 820 | L | 85.4 | Confident | 80.6 | Confident | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.3 | -35.1 | 176.5 | 176.7 | 70.6 | 0 | 0 | 0 | 111.3 | V773 L808 L811 V813 D822 H823 F824 | V773-L820 HydrophobicContact CB-CD2 4.3Å; V773-L820 HydrophobicContact CG1-CD1 3.58Å; V773-L820 HydrophobicContact CG1-CD2 3.7Å; V773-L820 HydrophobicContact CG1-CG 4.29Å; V773-L820 HydrophobicContact CG2-CD1 4.38Å; V773-L820 HydrophobicContact CG2-CD2 3.76Å; L808-L820 HydrophobicContact CD2-CD2 3.84Å; L808-L820 HydrophobicContact CD2-CG 4.25Å; L811-L820 HydrophobicContact CB-CB 4.39Å; L811-L820 HydrophobicContact CB-CD2 3.48Å; L811-L820 VanDerWaalsContact CB-CD2 3.48Å; L811-L820 HydrophobicContact CD1-CD2 3.92Å; L811-L820 HydrophobicContact CG-CD2 4.33Å; V813-L820 HydrophobicContact CG2-CB 4.33Å; V813-L820 HydrophobicContact CG2-CD1 3.82Å; L820-D822 PolarHBondContact O-N 3.11Å; L820-H823 PolarHBondContact O-N 2.99Å; L820-F824 VanDerWaalsContact O-CB 3.24Å; L820-F824 WeakPolarHBondContact O-CB 3.14Å; L820-F824 PolarHBondContact O-N 3.18Å |
| 821 | L | 89 | Confident | 80.6 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 174.7 | 180 | 68.7 | 0 | 0 | 0 | 111.6 | I805 L808 L809 S819 H823 F824 I825 P858 V860 | I805-L821 HydrophobicContact CD1-CD1 3.42Å; I805-L821 VanDerWaalsContact CD1-CD1 3.42Å; I805-L821 HydrophobicContact CD1-CD2 4.26Å; I805-L821 HydrophobicContact CD1-CG 4.49Å; I805-L821 HydrophobicContact CG2-CD2 4.22Å; L808-L821 HydrophobicContact CB-CB 4.14Å; L808-L821 HydrophobicContact CB-CD1 4.03Å; L808-L821 HydrophobicContact CD1-CD1 3.81Å; L809-L821 HydrophobicContact CD1-CD2 4.46Å; L809-L821 HydrophobicContact CD2-CB 4.08Å; L809-L821 HydrophobicContact CD2-CD2 3.69Å; L809-L821 HydrophobicContact CG-CB 4.45Å; L809-L821 HydrophobicContact CG-CD2 3.93Å; S819-L821 PolarHBondContact O-N 3Å; S819-L821 PolarHBondContact OG-N 3.13Å; L821-H823 PolarHBondContact O-N 3.4Å; L821-F824 PolarHBondContact O-N 3.13Å; L821-I825 HydrophobicContact CD1-CD1 4.33Å; L821-I825 HydrophobicContact CD1-CG1 3.82Å; L821-I825 HydrophobicContact CG-CG1 4.28Å; L821-I825 WeakPolarHBondContact O-CB 3.5Å; L821-I825 VanDerWaalsContact O-CG1 3.26Å; L821-I825 WeakPolarHBondContact O-CG1 3.12Å; L821-I825 PolarHBondContact O-N 2.84Å; L821-P858 HydrophobicContact CD2-CB 3.68Å; L821-P858 HydrophobicContact CD2-CG 3.77Å; L821-V860 HydrophobicContact CD2-CG1 4.2Å; L821-V860 HydrophobicContact CG-CG1 4.08Å |
| 822 | D | 88.8 | Confident | 80.9 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.214 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 179.4 | -78 | -102.4 | 0 | 0 | 0 | 111.2 | S819 L820 K826 | S819-D822 WeakPolarHBondContact CB-OD2 3.49Å; S819-D822 WeakPolarHBondContact O-CB 3.43Å; S819-D822 PolarHBondContact O-N 2.8Å; S819-D822 VanDerWaalsContact O-N 3.09Å; S819-D822 PolarHBondContact OG-N 2.88Å; S819-D822 VanDerWaalsContact OG-N 3.09Å; S819-D822 PolarHBondContact OG-OD2 3Å; L820-D822 PolarHBondContact O-N 3.11Å; D822-K826 WeakPolarHBondContact O-CB 3.43Å; D822-K826 VanDerWaalsContact O-CG 3.31Å; D822-K826 WeakPolarHBondContact O-CG 3.36Å; D822-K826 PolarHBondContact O-N 3.47Å |
| 823 | H | 87.2 | Confident | 81.5 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 179.4 | -174.8 | 72.6 | 0 | 0 | 0 | 111.7 | V813 S819 L820 L821 K826 H827 | V813-H823 HydrophobicContact CG2-CB 3.99Å; S819-H823 PolarHBondContact O-N 3.06Å; S819-H823 VanDerWaalsContact O-N 3.14Å; L820-H823 PolarHBondContact O-N 2.99Å; L821-H823 PolarHBondContact O-N 3.4Å; H823-K826 PolarHBondContact O-N 3.38Å; H823-H827 VanDerWaalsContact O-CB 3.29Å; H823-H827 WeakPolarHBondContact O-CB 3.37Å; H823-H827 PolarHBondContact O-N 3.03Å |
| 824 | F | 91.1 | Very high | 82.6 | Confident | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -50.2 | -179.4 | 171.2 | -101.7 | 0 | 0 | 0 | 112.1 | L790 I793 I794 L797 L808 L820 L821 K826 H827 W828 | L790-F824 HydrophobicContact CD2-CD2 4.09Å; L790-F824 HydrophobicContact CD2-CE2 3.72Å; I793-F824 HydrophobicContact CB-CD2 4.43Å; I793-F824 HydrophobicContact CB-CE2 3.63Å; I793-F824 HydrophobicContact CB-CZ 3.7Å; I793-F824 HydrophobicContact CD1-CD2 3.77Å; I793-F824 HydrophobicContact CD1-CE2 3.68Å; I793-F824 HydrophobicContact CG1-CE2 4.24Å; I793-F824 HydrophobicContact CG2-CD1 4.17Å; I793-F824 HydrophobicContact CG2-CD2 4.05Å; I793-F824 HydrophobicContact CG2-CE1 3.67Å; I793-F824 HydrophobicContact CG2-CE2 3.52Å; I793-F824 HydrophobicContact CG2-CG 4.35Å; I793-F824 HydrophobicContact CG2-CZ 3.32Å; I794-F824 HydrophobicContact CG1-CZ 4.19Å; L797-F824 HydrophobicContact CD1-CE1 3.92Å; L808-F824 HydrophobicContact CD1-CD1 4.11Å; L808-F824 HydrophobicContact CD1-CE1 4.49Å; L820-F824 VanDerWaalsContact O-CB 3.24Å; L820-F824 WeakPolarHBondContact O-CB 3.14Å; L820-F824 PolarHBondContact O-N 3.18Å; L821-F824 PolarHBondContact O-N 3.13Å; F824-K826 VanDerWaalsContact C-N 3.35Å; F824-K826 PolarHBondContact O-N 3.18Å; F824-H827 PolarHBondContact O-N 2.96Å; F824-W828 HydrophobicContact CE1-CD2 4.37Å; F824-W828 AromaticContact CE1-CE3 3.64Å; F824-W828 HydrophobicContact CE1-CE3 3.64Å; F824-W828 HydrophobicContact CE1-CZ3 4.19Å; F824-W828 HydrophobicContact CE2-CB 4.39Å; F824-W828 HydrophobicContact CZ-CB 4.29Å; F824-W828 HydrophobicContact CZ-CD2 4.22Å; F824-W828 AromaticContact CZ-CE3 3.92Å; F824-W828 HydrophobicContact CZ-CE3 3.92Å; F824-W828 HydrophobicContact CZ-CG 4.39Å; F824-W828 WeakPolarHBondContact O-CB 3.3Å; F824-W828 PolarHBondContact O-N 3Å |
| 825 | I | 92.3 | Very high | 84 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | -177.4 | -66.1 | -66.6 | 0 | 0 | 0 | 111 | L821 W828 V829 V860 V864 | L821-I825 HydrophobicContact CD1-CD1 4.33Å; L821-I825 HydrophobicContact CD1-CG1 3.82Å; L821-I825 HydrophobicContact CG-CG1 4.28Å; L821-I825 WeakPolarHBondContact O-CB 3.5Å; L821-I825 VanDerWaalsContact O-CG1 3.26Å; L821-I825 WeakPolarHBondContact O-CG1 3.12Å; L821-I825 PolarHBondContact O-N 2.84Å; I825-W828 HydrophobicContact CD1-CE3 4.01Å; I825-W828 HydrophobicContact CD1-CZ3 4.11Å; I825-V829 WeakPolarHBondContact O-CB 3.29Å; I825-V829 WeakPolarHBondContact O-CG2 3.46Å; I825-V829 PolarHBondContact O-N 3.19Å; I825-V829 VanDerWaalsContact O-N 3.1Å; I825-V860 HydrophobicContact CB-CG1 4.26Å; I825-V860 HydrophobicContact CB-CG2 3.99Å; I825-V860 HydrophobicContact CG1-CG1 4.17Å; I825-V860 HydrophobicContact CG2-CG1 4.43Å; I825-V860 HydrophobicContact CG2-CG2 3.91Å; I825-V864 HydrophobicContact CG2-CG1 4.19Å; I825-V864 HydrophobicContact CG2-CG2 3.7Å |
| 826 | K | 90.3 | Very high | 85.5 | Confident | 75 Ų | 75 | 43.7 Ų | 43.7 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 178.1 | -73.3 | 172.4 | 178.6 | 167.5 | 0 | 111.6 | D822 H823 F824 S830 V860 E863 V864 | D822-K826 WeakPolarHBondContact O-CB 3.43Å; D822-K826 VanDerWaalsContact O-CG 3.31Å; D822-K826 WeakPolarHBondContact O-CG 3.36Å; D822-K826 PolarHBondContact O-N 3.47Å; H823-K826 PolarHBondContact O-N 3.38Å; F824-K826 VanDerWaalsContact C-N 3.35Å; F824-K826 PolarHBondContact O-N 3.18Å; K826-S830 PolarHBondContact O-N 2.93Å; K826-S830 VanDerWaalsContact O-N 3.16Å; K826-S830 PolarHBondContact O-OG 3.3Å; K826-V860 HydrophobicContact CG-CG2 4.14Å; K826-E863 WeakPolarHBondContact CE-OE2 3.45Å; K826-E863 IonicContact NZ-OE2 2.87Å; K826-E863 PolarHBondContact NZ-OE2 3.2Å; K826-V864 HydrophobicContact CG-CG1 4.48Å |
| 827 | H | 89 | Confident | 86.9 | Confident | 57 Ų | 57 | 42.4 Ų | 42.4 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.7 | -46.6 | 179.3 | -175.8 | 49.9 | 0 | 0 | 0 | 112.3 | H823 F824 V829 S830 E831 | H823-H827 VanDerWaalsContact O-CB 3.29Å; H823-H827 WeakPolarHBondContact O-CB 3.37Å; H823-H827 PolarHBondContact O-N 3.03Å; F824-H827 PolarHBondContact O-N 2.96Å; H827-V829 PolarHBondContact O-N 3.26Å; H827-S830 WeakPolarHBondContact CA-OG 3.27Å; H827-S830 PolarHBondContact O-N 2.73Å; H827-S830 VanDerWaalsContact O-N 3.16Å; H827-S830 PolarHBondContact O-OG 2.81Å; H827-E831 VanDerWaalsContact CE1-CG 3.49Å; H827-E831 WeakPolarHBondContact CE1-CG 3.49Å; H827-E831 IonicContact CE1-OE1 3.3Å; H827-E831 WeakPolarHBondContact O-CG 3.5Å; H827-E831 PolarHBondContact O-N 3.12Å |
| 828 | W | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 177.4 | 172 | 27.6 | 0 | 0 | 0 | 111.8 | I794 L797 F824 I825 S830 E831 V832 F835 C844 G847 L848 I851 | I794-W828 HydrophobicContact CD1-CD2 4.18Å; I794-W828 VanDerWaalsContact CD1-CE2 3.5Å; I794-W828 HydrophobicContact CD1-CG 4.38Å; I794-W828 HydrophobicContact CD1-CZ2 3.84Å; I794-W828 VanDerWaalsContact CD1-NE1 3.27Å; I794-W828 HydrophobicContact CG1-CD2 4.13Å; I794-W828 HydrophobicContact CG1-CH2 4.18Å; I794-W828 HydrophobicContact CG1-CZ2 3.73Å; I794-W828 HydrophobicContact CG2-CH2 4.25Å; I794-W828 HydrophobicContact CG2-CZ2 3.95Å; L797-W828 HydrophobicContact CD1-CE3 4.5Å; L797-W828 HydrophobicContact CD1-CH2 4.16Å; L797-W828 HydrophobicContact CD1-CZ3 3.69Å; F824-W828 HydrophobicContact CE1-CD2 4.37Å; F824-W828 AromaticContact CE1-CE3 3.64Å; F824-W828 HydrophobicContact CE1-CE3 3.64Å; F824-W828 HydrophobicContact CE1-CZ3 4.19Å; F824-W828 HydrophobicContact CE2-CB 4.39Å; F824-W828 HydrophobicContact CZ-CB 4.29Å; F824-W828 HydrophobicContact CZ-CD2 4.22Å; F824-W828 AromaticContact CZ-CE3 3.92Å; F824-W828 HydrophobicContact CZ-CE3 3.92Å; F824-W828 HydrophobicContact CZ-CG 4.39Å; F824-W828 WeakPolarHBondContact O-CB 3.3Å; F824-W828 PolarHBondContact O-N 3Å; I825-W828 HydrophobicContact CD1-CE3 4.01Å; I825-W828 HydrophobicContact CD1-CZ3 4.11Å; W828-S830 VanDerWaalsContact C-N 3.3Å; W828-S830 PolarHBondContact O-N 2.78Å; W828-E831 PolarHBondContact O-N 3.36Å; W828-E831 VanDerWaalsContact O-N 3.12Å; W828-V832 PolarHBondContact O-N 3.28Å; W828-F835 AromaticContact CD1-CE2 3.99Å; W828-C844 PolarHBondContact NE1-SG 3.32Å; W828-G847 VanDerWaalsContact CH2-C 3.43Å; W828-L848 HydrophobicContact CH2-CD2 4.08Å; W828-L848 HydrophobicContact CH2-CG 4.35Å; W828-L848 HydrophobicContact CZ2-CD2 3.9Å; W828-L848 HydrophobicContact CZ2-CG 3.93Å; W828-I851 HydrophobicContact CH2-CD1 4.27Å; W828-I851 HydrophobicContact CZ3-CD1 3.92Å; W828-I851 HydrophobicContact CZ3-CG2 4.2Å |
| 829 | V | 90.8 | Very high | 89.2 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -34.5 | 178.6 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | I825 H827 E831 V832 V864 S867 | I825-V829 WeakPolarHBondContact O-CB 3.29Å; I825-V829 WeakPolarHBondContact O-CG2 3.46Å; I825-V829 PolarHBondContact O-N 3.19Å; I825-V829 VanDerWaalsContact O-N 3.1Å; H827-V829 PolarHBondContact O-N 3.26Å; V829-E831 VanDerWaalsContact C-N 3.33Å; V829-V832 WeakPolarHBondContact O-CG2 3.37Å; V829-V864 HydrophobicContact CG2-CB 4.41Å; V829-V864 HydrophobicContact CG2-CG2 4.39Å; V829-S867 VanDerWaalsContact CG1-OG 3.23Å; V829-S867 WeakPolarHBondContact CG1-OG 3.31Å |
| 830 | S | 89.1 | Confident | 89.8 | Confident | 85 Ų | 85 | 31.1 Ų | 31.1 | 59% | 0.594 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -71.6 | -26.1 | 175.4 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | K826 H827 W828 | K826-S830 PolarHBondContact O-N 2.93Å; K826-S830 VanDerWaalsContact O-N 3.16Å; K826-S830 PolarHBondContact O-OG 3.3Å; H827-S830 WeakPolarHBondContact CA-OG 3.27Å; H827-S830 PolarHBondContact O-N 2.73Å; H827-S830 VanDerWaalsContact O-N 3.16Å; H827-S830 PolarHBondContact O-OG 2.81Å; W828-S830 VanDerWaalsContact C-N 3.3Å; W828-S830 PolarHBondContact O-N 2.78Å |
| 831 | E | 89.6 | Confident | 90.2 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 5.6 | -176.6 | -67.9 | -76.7 | 132.1 | 0 | 0 | 113.1 | R786 L790 H827 W828 V829 A833 T834 F835 | R786-E831 IonicContact CZ-OE2 2.81Å; R786-E831 IonicContact NE-OE2 2.62Å; R786-E831 PolarHBondContact NE-OE2 3.14Å; R786-E831 IonicContact NH2-OE2 3.58Å; R786-E831 PolarHBondContact NH2-OE2 3.38Å; L790-E831 HydrophobicContact CD1-CB 4.43Å; H827-E831 VanDerWaalsContact CE1-CG 3.49Å; H827-E831 WeakPolarHBondContact CE1-CG 3.49Å; H827-E831 IonicContact CE1-OE1 3.3Å; H827-E831 WeakPolarHBondContact O-CG 3.5Å; H827-E831 PolarHBondContact O-N 3.12Å; W828-E831 PolarHBondContact O-N 3.36Å; W828-E831 VanDerWaalsContact O-N 3.12Å; V829-E831 VanDerWaalsContact C-N 3.33Å; E831-A833 PolarHBondContact O-N 3Å; E831-T834 PolarHBondContact O-N 2.96Å; E831-T834 PolarHBondContact O-OG1 3.39Å; E831-T834 WeakPolarHBondContact OE2-CG2 3.4Å; E831-T834 PolarHBondContact OE2-OG1 2.85Å; E831-F835 WeakPolarHBondContact O-CD2 3.32Å |
| 832 | V | 91.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -52.4 | -34.3 | -176 | 169.7 | 0 | 0 | 0 | 0 | 113.3 | W828 V829 T834 F835 L875 | W828-V832 PolarHBondContact O-N 3.28Å; V829-V832 WeakPolarHBondContact O-CG2 3.37Å; V832-T834 VanDerWaalsContact C-N 3.26Å; V832-T834 PolarHBondContact O-N 3.43Å; V832-F835 PolarHBondContact O-N 3.07Å; V832-L875 HydrophobicContact CG1-CD1 3.98Å; V832-L875 HydrophobicContact CG1-CD2 3.83Å; V832-L875 HydrophobicContact CG1-CG 3.67Å |
| 833 | A | 88.9 | Confident | 90.6 | Very high | 77 Ų | 77 | 31.4 Ų | 31.4 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -70.4 | -17.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E831 | E831-A833 PolarHBondContact O-N 3Š|
| 834 | T | 89.7 | Confident | 91 | Very high | 37 Ų | 37 | 27.2 Ų | 27.2 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -84.9 | -10.5 | 179.2 | 66.4 | 0 | 0 | 0 | 0 | 113 | V783 E831 V832 N836 | V783-T834 HydrophobicContact CG1-CG2 4.48Å; E831-T834 PolarHBondContact O-N 2.96Å; E831-T834 PolarHBondContact O-OG1 3.39Å; E831-T834 WeakPolarHBondContact OE2-CG2 3.4Å; E831-T834 PolarHBondContact OE2-OG1 2.85Å; V832-T834 VanDerWaalsContact C-N 3.26Å; V832-T834 PolarHBondContact O-N 3.43Å; T834-N836 PolarHBondContact O-N 3.13Å |
| 835 | F | 91.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | trans | -72.8 | 96.8 | 174.3 | -73.3 | -104.8 | 0 | 0 | 0 | 110 | V787 L790 I794 W828 E831 V832 N840 R841 C844 L875 | V787-F835 HydrophobicContact CG1-CD1 3.72Å; V787-F835 HydrophobicContact CG1-CE1 3.84Å; V787-F835 HydrophobicContact CG1-CG 4.12Å; V787-F835 HydrophobicContact CG1-CZ 4.36Å; L790-F835 HydrophobicContact CB-CZ 3.86Å; L790-F835 HydrophobicContact CD1-CE2 4.31Å; L790-F835 HydrophobicContact CD1-CZ 4.2Å; I794-F835 HydrophobicContact CD1-CE1 3.69Å; I794-F835 HydrophobicContact CD1-CZ 3.61Å; W828-F835 AromaticContact CD1-CE2 3.99Å; E831-F835 WeakPolarHBondContact O-CD2 3.32Å; V832-F835 PolarHBondContact O-N 3.07Å; F835-N840 HydrophobicContact CB-CB 4.35Å; F835-N840 HydrophobicContact CD1-CB 4.02Å; F835-N840 WeakPolarHBondContact CD1-O 3.49Å; F835-R841 WeakPolarHBondContact O-CG 3.45Å; F835-R841 PolarHBondContact O-NE 3.37Å; F835-C844 HydrophobicContact CB-CB 4.45Å; F835-C844 HydrophobicContact CD1-CB 3.7Å; F835-C844 HydrophobicContact CE1-CB 4.07Å; F835-C844 HydrophobicContact CG-CB 3.98Å; F835-L875 HydrophobicContact CB-CD2 4.3Å | ||
| 836 | N | 86.6 | Confident | 91.3 | Very high | 62 Ų | 62 | 27.2 Ų | 27.2 | 33% | 0.332 | 16% | 0.156 | S | C | . | . | trans | -98.9 | 160 | 179 | -70.8 | -26.2 | 0 | 0 | 0 | 112.4 | T834 N840 R841 | T834-N836 PolarHBondContact O-N 3.13Å; N836-N840 VanDerWaalsContact O-CB 3.25Å; N836-N840 WeakPolarHBondContact O-CB 3.45Å; N836-N840 PolarHBondContact O-ND2 3.43Å; N836-R841 PolarHBondContact OD1-NH2 3.17Å; N836-R841 VanDerWaalsContact OD1-NH2 3.17Å | ||
| 837 | G | 87.4 | Confident | 91.5 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 12% | 0.124 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 85.8 | 171.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R841 E957 | G837-R841 WeakPolarHBondContact O-CD 3.36Å; G837-R841 WeakPolarHBondContact O-CG 3.42Å; G837-R841 PolarHBondContact O-NH1 3.48Å; G837-R841 VanDerWaalsContact O-NH1 3.1Å; G837-E957 VanDerWaalsContact C-OE1 3.27Å; G837-E957 WeakPolarHBondContact CA-OE1 3.45Å |
| 838 | I | 90.2 | Very high | 91.8 | Very high | 16 Ų | 16 | 20.9 Ų | 20.9 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.7 | -47.7 | 172.8 | -63.5 | 174.3 | 0 | 0 | 0 | 109.2 | R841 K842 L879 A882 Y883 K886 E957 | I838-R841 PolarHBondContact O-N 3.14Å; I838-K842 HydrophobicContact CG2-CD 4.23Å; I838-K842 WeakPolarHBondContact O-CG 3.42Å; I838-K842 PolarHBondContact O-N 3.04Å; I838-L879 HydrophobicContact CB-CD2 4.49Å; I838-L879 HydrophobicContact CG2-CD2 4.09Å; I838-L879 WeakPolarHBondContact O-CD2 2.94Å; I838-A882 HydrophobicContact CD1-CB 4.45Å; I838-A882 HydrophobicContact CG1-CB 3.65Å; I838-Y883 HydrophobicContact CD1-CD1 3.85Å; I838-Y883 HydrophobicContact CD1-CE1 4Å; I838-Y883 HydrophobicContact CG1-CD1 4.42Å; I838-Y883 HydrophobicContact CG1-CE1 4.4Å; I838-Y883 HydrophobicContact CG2-CE1 3.73Å; I838-K886 HydrophobicContact CD1-CB 4.4Å; I838-K886 HydrophobicContact CD1-CD 3.83Å; I838-E957 PolarHBondContact N-OE1 3.24Å |
| 839 | H | 91.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -55.1 | -171.7 | 176.5 | 78.7 | 0 | 0 | 0 | 112.3 | K748 E751 R841 K842 M843 E957 T961 D964 | K748-H839 PolarHBondContact NZ-CD2 3.07Å; K748-H839 PolarHBondContact NZ-NE2 2.88Å; E751-H839 IonicContact OE1-CD2 2.72Å; E751-H839 IonicContact OE1-CE1 2.72Å; E751-H839 IonicContact OE1-NE2 3.43Å; E751-H839 PolarHBondContact OE1-NE2 3.4Å; E751-H839 IonicContact OE2-NE2 2.83Å; H839-R841 PolarHBondContact O-N 3.21Å; H839-K842 WeakPolarHBondContact O-CB 3.45Å; H839-K842 PolarHBondContact O-N 3.03Å; H839-K842 VanDerWaalsContact O-N 3.11Å; H839-M843 PolarHBondContact O-N 3.31Å; H839-E957 PolarHBondContact N-OE1 2.69Å; H839-E957 VanDerWaalsContact N-OE1 3.13Å; H839-T961 PolarHBondContact CE1-OG1 3.34Å; H839-D964 IonicContact CE1-OD1 3.97Å; H839-D964 IonicContact CE1-OD2 3.21Å; H839-D964 PolarHBondContact CE1-OD2 2.93Å; H839-D964 VanDerWaalsContact CE1-OD2 3.3Å; H839-D964 IonicContact CG-OD1 3.57Å; H839-D964 IonicContact ND1-OD1 3.13Å; H839-D964 PolarHBondContact ND1-OD1 3.34Å; H839-D964 IonicContact ND1-OD2 3.7Å; H839-D964 PolarHBondContact ND1-OD2 3.16Å |
| 840 | N | 91.9 | Very high | 92 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.053 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -33.5 | -176.8 | -62.6 | -40.5 | 0 | 0 | 0 | 111.6 | V787 F835 N836 M843 C844 | V787-N840 HydrophobicContact CG1-CB 4.38Å; F835-N840 HydrophobicContact CB-CB 4.35Å; F835-N840 HydrophobicContact CD1-CB 4.02Å; F835-N840 WeakPolarHBondContact CD1-O 3.49Å; N836-N840 VanDerWaalsContact O-CB 3.25Å; N836-N840 WeakPolarHBondContact O-CB 3.45Å; N836-N840 PolarHBondContact O-ND2 3.43Å; N840-M843 PolarHBondContact O-N 3.47Å; N840-C844 VanDerWaalsContact O-CB 3.32Å; N840-C844 WeakPolarHBondContact O-CB 3.5Å; N840-C844 PolarHBondContact O-N 3.21Å |
| 841 | R | 93.5 | Very high | 92.2 | Very high | 40 Ų | 40 | 16.6 Ų | 16.6 | 15% | 0.151 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.8 | -43.2 | 175.7 | -69.2 | -179.6 | -174.1 | 125.1 | -5.5 | 112.2 | F835 N836 G837 I838 H839 M843 L845 L875 L879 | F835-R841 WeakPolarHBondContact O-CG 3.45Å; F835-R841 PolarHBondContact O-NE 3.37Å; N836-R841 PolarHBondContact OD1-NH2 3.17Å; N836-R841 VanDerWaalsContact OD1-NH2 3.17Å; G837-R841 WeakPolarHBondContact O-CD 3.36Å; G837-R841 WeakPolarHBondContact O-CG 3.42Å; G837-R841 PolarHBondContact O-NH1 3.48Å; G837-R841 VanDerWaalsContact O-NH1 3.1Å; I838-R841 PolarHBondContact O-N 3.14Å; H839-R841 PolarHBondContact O-N 3.21Å; R841-M843 VanDerWaalsContact C-N 3.34Å; R841-L845 VanDerWaalsContact O-CB 3.29Å; R841-L845 WeakPolarHBondContact O-CB 3.35Å; R841-L845 PolarHBondContact O-N 3.4Å; R841-L875 HydrophobicContact CB-CD2 4.16Å; R841-L875 HydrophobicContact CG-CD2 3.97Å; R841-L879 HydrophobicContact CB-CD1 4.2Å; R841-L879 HydrophobicContact CB-CD2 3.79Å; R841-L879 HydrophobicContact CB-CG 3.7Å |
| 842 | K | 93.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 14.8 Ų | 14.8 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 171.3 | -77 | -178.2 | 176.3 | -178.6 | 0 | 110.7 | I838 H839 C844 L845 F846 L879 Y883 I963 E972 | I838-K842 HydrophobicContact CG2-CD 4.23Å; I838-K842 WeakPolarHBondContact O-CG 3.42Å; I838-K842 PolarHBondContact O-N 3.04Å; H839-K842 WeakPolarHBondContact O-CB 3.45Å; H839-K842 PolarHBondContact O-N 3.03Å; H839-K842 VanDerWaalsContact O-N 3.11Å; K842-C844 PolarHBondContact O-N 3.31Å; K842-L845 PolarHBondContact O-N 2.9Å; K842-F846 HydrophobicContact CB-CD2 4.32Å; K842-F846 HydrophobicContact CB-CE2 4.04Å; K842-F846 WeakPolarHBondContact O-CD2 3.24Å; K842-F846 WeakPolarHBondContact O-CG 3.45Å; K842-F846 PolarHBondContact O-N 3.36Å; K842-L879 HydrophobicContact CG-CD2 4.16Å; K842-Y883 WeakPolarHBondContact CE-OH 3.33Å; K842-Y883 PolarHBondContact NZ-OH 3.21Å; K842-I963 HydrophobicContact CB-CD1 4.35Å; K842-E972 WeakPolarHBondContact CE-OE2 3.08Å; K842-E972 HydrophobicContact CG-CB 4.37Å; K842-E972 HydrophobicContact CG-CG 4.48Å; K842-E972 IonicContact NZ-OE2 3.6Å |
| 843 | M | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.7 | -50.2 | -178.9 | -168.4 | 62.7 | -123.9 | 0 | 0 | 111.7 | E751 L755 I794 A795 V798 H839 N840 R841 L845 F846 G847 I963 | E751-M843 VanDerWaalsContact OE1-CG 3.3Å; E751-M843 WeakPolarHBondContact OE1-CG 3.3Å; L755-M843 HydrophobicContact CD1-SD 3.78Å; L755-M843 HydrophobicContact CD2-CE 4.21Å; L755-M843 HydrophobicContact CD2-SD 4.11Å; L755-M843 HydrophobicContact CG-SD 4.48Å; I794-M843 HydrophobicContact CB-CE 4.29Å; I794-M843 HydrophobicContact CG2-CE 3.71Å; I794-M843 HydrophobicContact CG2-CG 4.37Å; I794-M843 WeakPolarHBondContact CG2-O 3.41Å; A795-M843 VanDerWaalsContact CA-CE 3.4Å; A795-M843 HydrophobicContact CB-CE 4.01Å; A795-M843 HydrophobicContact CB-SD 4.41Å; V798-M843 HydrophobicContact CB-CE 3.76Å; V798-M843 HydrophobicContact CG1-CE 4.41Å; V798-M843 HydrophobicContact CG2-CE 3.34Å; H839-M843 PolarHBondContact O-N 3.31Å; N840-M843 PolarHBondContact O-N 3.47Å; R841-M843 VanDerWaalsContact C-N 3.34Å; M843-L845 VanDerWaalsContact C-N 3.34Å; M843-L845 PolarHBondContact O-N 2.94Å; M843-F846 PolarHBondContact O-N 3.16Å; M843-G847 PolarHBondContact O-N 3.03Å; M843-I963 HydrophobicContact CB-CD1 4.09Å; M843-I963 HydrophobicContact SD-CD1 3.69Å |
| 844 | C | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 176.1 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | W828 F835 N840 K842 G847 L848 L875 | W828-C844 PolarHBondContact NE1-SG 3.32Å; F835-C844 HydrophobicContact CB-CB 4.45Å; F835-C844 HydrophobicContact CD1-CB 3.7Å; F835-C844 HydrophobicContact CE1-CB 4.07Å; F835-C844 HydrophobicContact CG-CB 3.98Å; N840-C844 VanDerWaalsContact O-CB 3.32Å; N840-C844 WeakPolarHBondContact O-CB 3.5Å; N840-C844 PolarHBondContact O-N 3.21Å; K842-C844 PolarHBondContact O-N 3.31Å; C844-G847 PolarHBondContact O-N 2.94Å; C844-L848 WeakPolarHBondContact O-CG 3.35Å; C844-L848 PolarHBondContact O-N 2.99Å; C844-L875 HydrophobicContact CB-CD1 3.93Å; C844-L875 HydrophobicContact CB-CD2 4.2Å |
| 845 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 178.6 | -174.6 | 82.7 | 0 | 0 | 0 | 112.1 | R841 K842 M843 G847 L848 C849 C872 L875 F876 E972 F976 | R841-L845 VanDerWaalsContact O-CB 3.29Å; R841-L845 WeakPolarHBondContact O-CB 3.35Å; R841-L845 PolarHBondContact O-N 3.4Å; K842-L845 PolarHBondContact O-N 2.9Å; M843-L845 VanDerWaalsContact C-N 3.34Å; M843-L845 PolarHBondContact O-N 2.94Å; L845-G847 VanDerWaalsContact C-N 3.27Å; L845-G847 PolarHBondContact O-N 3.15Å; L845-L848 PolarHBondContact O-N 3.31Å; L845-C849 PolarHBondContact O-N 3.24Å; L845-C849 PolarHBondContact O-SG 2.83Å; L845-C872 HydrophobicContact CD1-CB 3.7Å; L845-L875 HydrophobicContact CB-CD1 4.18Å; L845-L875 HydrophobicContact CD1-CD1 4.4Å; L845-F876 HydrophobicContact CD1-CD2 4.17Å; L845-F876 HydrophobicContact CD1-CE1 4.49Å; L845-F876 HydrophobicContact CD1-CE2 3.65Å; L845-F876 HydrophobicContact CD1-CZ 3.85Å; L845-F876 HydrophobicContact CD2-CE1 3.64Å; L845-F876 HydrophobicContact CD2-CE2 4.14Å; L845-F876 HydrophobicContact CD2-CZ 3.43Å; L845-F876 VanDerWaalsContact CD2-CZ 3.43Å; L845-F876 HydrophobicContact CG-CZ 4.25Å; L845-E972 HydrophobicContact CD2-CB 3.67Å; L845-F976 HydrophobicContact CD1-CD2 4.39Å |
| 846 | F | 94.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 176.9 | -71.2 | -53.6 | 0 | 0 | 0 | 111.5 | V798 K842 M843 C849 A850 I963 F970 E972 T975 | V798-F846 HydrophobicContact CG1-CB 4.46Å; V798-F846 HydrophobicContact CG2-CB 3.74Å; K842-F846 HydrophobicContact CB-CD2 4.32Å; K842-F846 HydrophobicContact CB-CE2 4.04Å; K842-F846 WeakPolarHBondContact O-CD2 3.24Å; K842-F846 WeakPolarHBondContact O-CG 3.45Å; K842-F846 PolarHBondContact O-N 3.36Å; M843-F846 PolarHBondContact O-N 3.16Å; F846-C849 PolarHBondContact O-N 3.31Å; F846-A850 WeakPolarHBondContact O-CB 3.21Å; F846-A850 PolarHBondContact O-N 3.42Å; F846-I963 HydrophobicContact CD2-CB 4.23Å; F846-I963 HydrophobicContact CD2-CD1 4.27Å; F846-I963 HydrophobicContact CD2-CG2 4.35Å; F846-I963 HydrophobicContact CE2-CB 3.87Å; F846-I963 HydrophobicContact CE2-CG1 4.37Å; F846-I963 HydrophobicContact CE2-CG2 4.39Å; F846-F970 HydrophobicContact CE1-CD1 4.31Å; F846-F970 HydrophobicContact CE2-CB 4.44Å; F846-F970 HydrophobicContact CZ-CB 4Å; F846-F970 HydrophobicContact CZ-CD1 4.28Å; F846-E972 HydrophobicContact CZ-CB 4.08Å; F846-T975 HydrophobicContact CD1-CG2 4.02Å; F846-T975 HydrophobicContact CE1-CG2 3.93Å |
| 847 | G | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.8 | -52.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W828 M843 C844 L845 C849 A850 I851 | W828-G847 VanDerWaalsContact CH2-C 3.43Å; M843-G847 PolarHBondContact O-N 3.03Å; C844-G847 PolarHBondContact O-N 2.94Å; L845-G847 VanDerWaalsContact C-N 3.27Å; L845-G847 PolarHBondContact O-N 3.15Å; G847-C849 VanDerWaalsContact C-N 3.28Å; G847-C849 PolarHBondContact O-N 3.09Å; G847-A850 WeakPolarHBondContact O-CB 3.42Å; G847-A850 PolarHBondContact O-N 2.94Å; G847-I851 PolarHBondContact O-N 3.43Å |
| 848 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 179.1 | -70.4 | 175.8 | 0 | 0 | 0 | 111.3 | W828 C844 L845 A850 I851 A852 I868 L875 | W828-L848 HydrophobicContact CH2-CD2 4.08Å; W828-L848 HydrophobicContact CH2-CG 4.35Å; W828-L848 HydrophobicContact CZ2-CD2 3.9Å; W828-L848 HydrophobicContact CZ2-CG 3.93Å; C844-L848 WeakPolarHBondContact O-CG 3.35Å; C844-L848 PolarHBondContact O-N 2.99Å; L845-L848 PolarHBondContact O-N 3.31Å; L848-A850 VanDerWaalsContact C-N 3.33Å; L848-A850 PolarHBondContact O-N 2.86Å; L848-I851 HydrophobicContact CD2-CD1 4.03Å; L848-I851 WeakPolarHBondContact O-CG1 3.46Å; L848-A852 VanDerWaalsContact O-CB 3.29Å; L848-A852 WeakPolarHBondContact O-CB 3.36Å; L848-A852 PolarHBondContact O-N 3.06Å; L848-I868 HydrophobicContact CB-CG2 4.39Å; L848-L875 HydrophobicContact CD1-CD1 3.87Å |
| 849 | C | 94.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 173.5 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | L845 F846 G847 Q853 M979 | L845-C849 PolarHBondContact O-N 3.24Å; L845-C849 PolarHBondContact O-SG 2.83Å; F846-C849 PolarHBondContact O-N 3.31Å; G847-C849 VanDerWaalsContact C-N 3.28Å; G847-C849 PolarHBondContact O-N 3.09Å; C849-Q853 VanDerWaalsContact O-CG 3.25Å; C849-Q853 WeakPolarHBondContact O-CG 3.42Å; C849-Q853 PolarHBondContact O-N 3.39Å; C849-Q853 PolarHBondContact O-NE2 2.92Å; C849-M979 HydrophobicContact CB-CE 4.32Å; C849-M979 HydrophobicContact CB-CG 4.38Å |
| 850 | A | 93.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | P801 F846 G847 L848 Q853 | P801-A850 HydrophobicContact CG-CB 4.1Å; F846-A850 WeakPolarHBondContact O-CB 3.21Å; F846-A850 PolarHBondContact O-N 3.42Å; G847-A850 WeakPolarHBondContact O-CB 3.42Å; G847-A850 PolarHBondContact O-N 2.94Å; L848-A850 VanDerWaalsContact C-N 3.33Å; L848-A850 PolarHBondContact O-N 2.86Å; A850-Q853 PolarHBondContact O-N 2.83Å |
| 851 | I | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.2 | -34.4 | 178.5 | 63.9 | 169.5 | 0 | 0 | 0 | 112.6 | L797 W828 G847 L848 Q853 L854 I861 I868 | L797-I851 HydrophobicContact CD1-CG2 4.03Å; L797-I851 HydrophobicContact CD2-CG2 4.15Å; W828-I851 HydrophobicContact CH2-CD1 4.27Å; W828-I851 HydrophobicContact CZ3-CD1 3.92Å; W828-I851 HydrophobicContact CZ3-CG2 4.2Å; G847-I851 PolarHBondContact O-N 3.43Å; L848-I851 HydrophobicContact CD2-CD1 4.03Å; L848-I851 WeakPolarHBondContact O-CG1 3.46Å; I851-Q853 PolarHBondContact O-N 3.37Å; I851-L854 HydrophobicContact CB-CD1 4.37Å; I851-L854 WeakPolarHBondContact O-CB 3.29Å; I851-L854 PolarHBondContact O-N 3.48Å; I851-I861 HydrophobicContact CB-CD1 4.2Å; I851-I868 HydrophobicContact CD1-CD1 4.36Å |
| 852 | A | 92.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -26.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L848 I868 M979 L983 W990 | L848-A852 VanDerWaalsContact O-CB 3.29Å; L848-A852 WeakPolarHBondContact O-CB 3.36Å; L848-A852 PolarHBondContact O-N 3.06Å; A852-I868 HydrophobicContact CB-CG2 4.48Å; A852-M979 HydrophobicContact CB-SD 4.12Å; A852-L983 HydrophobicContact CB-CD1 4.27Å; A852-W990 PolarHBondContact O-NE1 3.44Å |
| 853 | Q | 92.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 33% | 0.327 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.1 | -178.7 | -73.5 | 178.6 | 91.2 | 0 | 0 | 114.6 | C849 A850 I851 R855 M979 R986 | C849-Q853 VanDerWaalsContact O-CG 3.25Å; C849-Q853 WeakPolarHBondContact O-CG 3.42Å; C849-Q853 PolarHBondContact O-N 3.39Å; C849-Q853 PolarHBondContact O-NE2 2.92Å; A850-Q853 PolarHBondContact O-N 2.83Å; I851-Q853 PolarHBondContact O-N 3.37Å; Q853-R855 PolarHBondContact O-N 3.35Å; Q853-M979 VanDerWaalsContact CD-CG 3.45Å; Q853-M979 HydrophobicContact CG-CB 4.32Å; Q853-M979 HydrophobicContact CG-CG 3.36Å; Q853-R986 PolarHBondContact O-NH2 3.04Å |
| 854 | L | 91 | Very high | 92 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | trans | -55.2 | 136.1 | 176.9 | -75.2 | 168.1 | 0 | 0 | 0 | 111.2 | P801 E802 I805 I851 R857 I861 | P801-L854 HydrophobicContact CB-CD2 3.73Å; P801-L854 HydrophobicContact CB-CG 4.41Å; E802-L854 HydrophobicContact CG-CD2 4.38Å; I805-L854 HydrophobicContact CD1-CD1 4.33Å; I805-L854 HydrophobicContact CG1-CD1 4.05Å; I851-L854 HydrophobicContact CB-CD1 4.37Å; I851-L854 WeakPolarHBondContact O-CB 3.29Å; I851-L854 PolarHBondContact O-N 3.48Å; L854-R857 HydrophobicContact CB-CG 4.13Å; L854-R857 WeakPolarHBondContact O-CG 3.49Å; L854-I861 HydrophobicContact CD1-CD1 3.44Å; L854-I861 VanDerWaalsContact CD1-CD1 3.44Å | ||
| 855 | R | 86.7 | Confident | 91.8 | Very high | 185 Ų | 185 | 39.8 Ų | 39.8 | 70% | 0.698 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -79.8 | -53 | 175.4 | -67.3 | -178.3 | -179.7 | -178.5 | 2.3 | 110.5 | Q853 R857 | Q853-R855 PolarHBondContact O-N 3.35Å; R855-R857 PolarHBondContact O-N 2.97Å |
| 856 | D | 87.4 | Confident | 91.7 | Very high | 153 Ų | 153 | 48.5 Ų | 48.5 | 82% | 0.818 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -93.6 | 89.2 | 176.2 | -65.7 | -37.6 | 0 | 0 | 0 | 109.1 | P858 | D856-P858 WeakPolarHBondContact O-CD 3.42Š|
| 857 | R | 89.8 | Confident | 91.5 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 22% | 0.223 | 24% | 0.241 | C | C | . | . | trans | -82.2 | 119.9 | -174.6 | -65.8 | -177.9 | -68.5 | -100.3 | 1.8 | 111.6 | L854 R855 D987 W990 | L854-R857 HydrophobicContact CB-CG 4.13Å; L854-R857 WeakPolarHBondContact O-CG 3.49Å; R855-R857 PolarHBondContact O-N 2.97Å; R857-D987 IonicContact CZ-OD2 3.36Å; R857-D987 IonicContact NH1-OD2 2.87Å; R857-D987 PolarHBondContact NH1-OD2 2.75Å; R857-D987 IonicContact NH2-OD2 2.88Å; R857-D987 PolarHBondContact NH2-OD2 2.87Å; R857-W990 VanDerWaalsContact CZ-CG 3.47Å; R857-W990 VanDerWaalsContact NH1-CD1 3.33Å | ||
| 858 | P | 90.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | trans | -56.7 | 151.7 | 169.2 | -26.5 | 35.9 | 0 | 0 | 0 | 112.5 | I805 L821 D856 V860 I861 | I805-P858 HydrophobicContact CG2-CG 3.79Å; L821-P858 HydrophobicContact CD2-CB 3.68Å; L821-P858 HydrophobicContact CD2-CG 3.77Å; D856-P858 WeakPolarHBondContact O-CD 3.42Å; P858-V860 VanDerWaalsContact C-N 3.29Å; P858-V860 HydrophobicContact CB-CG1 4.4Å; P858-V860 PolarHBondContact O-N 2.94Å; P858-I861 HydrophobicContact CB-CG1 4.49Å; P858-I861 HydrophobicContact CG-CD1 4.33Å; P858-I861 PolarHBondContact O-N 2.94Å | ||
| 859 | P | 90.3 | Very high | 91.4 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 62% | 0.623 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -51.2 | -43.2 | -178.4 | -28.9 | 35.6 | 0 | 0 | 0 | 114.1 | I861 N862 E863 | P859-I861 PolarHBondContact O-N 3.16Å; P859-N862 WeakPolarHBondContact O-CA 3.4Å; P859-N862 WeakPolarHBondContact O-CB 3.29Å; P859-N862 PolarHBondContact O-N 3.37Å; P859-E863 PolarHBondContact O-N 3.28Å; P859-E863 VanDerWaalsContact O-N 3.11Å |
| 860 | V | 90.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -34.3 | 179.7 | 65 | 0 | 0 | 0 | 0 | 113.3 | L821 I825 K826 P858 N862 E863 V864 | L821-V860 HydrophobicContact CD2-CG1 4.2Å; L821-V860 HydrophobicContact CG-CG1 4.08Å; I825-V860 HydrophobicContact CB-CG1 4.26Å; I825-V860 HydrophobicContact CB-CG2 3.99Å; I825-V860 HydrophobicContact CG1-CG1 4.17Å; I825-V860 HydrophobicContact CG2-CG1 4.43Å; I825-V860 HydrophobicContact CG2-CG2 3.91Å; K826-V860 HydrophobicContact CG-CG2 4.14Å; P858-V860 VanDerWaalsContact C-N 3.29Å; P858-V860 HydrophobicContact CB-CG1 4.4Å; P858-V860 PolarHBondContact O-N 2.94Å; V860-N862 VanDerWaalsContact C-N 3.27Å; V860-N862 PolarHBondContact O-N 3.37Å; V860-E863 WeakPolarHBondContact O-CB 3.22Å; V860-E863 PolarHBondContact O-N 3.4Å; V860-E863 VanDerWaalsContact O-N 3.09Å; V860-V864 WeakPolarHBondContact O-CG2 3.29Å; V860-V864 PolarHBondContact O-N 3.26Å |
| 861 | I | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -35.8 | 177.6 | -56.6 | -169.4 | 0 | 0 | 0 | 110.4 | I851 L854 P858 P859 E863 A865 I868 W990 | I851-I861 HydrophobicContact CB-CD1 4.2Å; L854-I861 HydrophobicContact CD1-CD1 3.44Å; L854-I861 VanDerWaalsContact CD1-CD1 3.44Å; P858-I861 HydrophobicContact CB-CG1 4.49Å; P858-I861 HydrophobicContact CG-CD1 4.33Å; P858-I861 PolarHBondContact O-N 2.94Å; P859-I861 PolarHBondContact O-N 3.16Å; I861-E863 VanDerWaalsContact C-N 3.32Å; I861-A865 PolarHBondContact O-N 3Å; I861-A865 VanDerWaalsContact O-N 3.08Å; I861-I868 HydrophobicContact CG2-CD1 4.36Å; I861-W990 HydrophobicContact CG2-CH2 4.03Å; I861-W990 HydrophobicContact CG2-CZ2 4.05Å |
| 862 | N | 90.3 | Very high | 91.5 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.7 | -32 | 174 | -59.4 | -60.7 | 0 | 0 | 0 | 111.7 | P859 V860 A865 | P859-N862 WeakPolarHBondContact O-CA 3.4Å; P859-N862 WeakPolarHBondContact O-CB 3.29Å; P859-N862 PolarHBondContact O-N 3.37Å; V860-N862 VanDerWaalsContact C-N 3.27Å; V860-N862 PolarHBondContact O-N 3.37Å; N862-A865 WeakPolarHBondContact O-CB 3.33Å |
| 863 | E | 91.1 | Very high | 91.6 | Very high | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66 | -43.4 | 175.3 | -63.9 | -178.6 | 178.7 | 0 | 0 | 111.8 | K826 P859 V860 I861 A865 | K826-E863 WeakPolarHBondContact CE-OE2 3.45Å; K826-E863 IonicContact NZ-OE2 2.87Å; K826-E863 PolarHBondContact NZ-OE2 3.2Å; P859-E863 PolarHBondContact O-N 3.28Å; P859-E863 VanDerWaalsContact O-N 3.11Å; V860-E863 WeakPolarHBondContact O-CB 3.22Å; V860-E863 PolarHBondContact O-N 3.4Å; V860-E863 VanDerWaalsContact O-N 3.09Å; I861-E863 VanDerWaalsContact C-N 3.32Å; E863-A865 VanDerWaalsContact C-N 3.33Å |
| 864 | V | 92 | Very high | 91.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -88.1 | 4.5 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | I825 K826 V829 V860 R866 S867 I868 | I825-V864 HydrophobicContact CG2-CG1 4.19Å; I825-V864 HydrophobicContact CG2-CG2 3.7Å; K826-V864 HydrophobicContact CG-CG1 4.48Å; V829-V864 HydrophobicContact CG2-CB 4.41Å; V829-V864 HydrophobicContact CG2-CG2 4.39Å; V860-V864 WeakPolarHBondContact O-CG2 3.29Å; V860-V864 PolarHBondContact O-N 3.26Å; V864-R866 PolarHBondContact O-N 3.05Å; V864-S867 PolarHBondContact O-N 3.11Å; V864-S867 PolarHBondContact O-OG 3.23Å; V864-I868 HydrophobicContact CG2-CD1 4.41Å; V864-I868 HydrophobicContact CG2-CG1 4.39Å; V864-I868 PolarHBondContact O-N 3.42Å |
| 865 | A | 91.5 | Very high | 91.8 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -50.9 | -40.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | I861 N862 E863 S867 W990 L994 | I861-A865 PolarHBondContact O-N 3Å; I861-A865 VanDerWaalsContact O-N 3.08Å; N862-A865 WeakPolarHBondContact O-CB 3.33Å; E863-A865 VanDerWaalsContact C-N 3.33Å; A865-S867 VanDerWaalsContact C-N 3.3Å; A865-S867 PolarHBondContact O-N 3.5Å; A865-W990 HydrophobicContact CB-CH2 3.44Å; A865-W990 VanDerWaalsContact CB-CH2 3.44Å; A865-W990 HydrophobicContact CB-CZ3 3.46Å; A865-W990 VanDerWaalsContact CB-CZ3 3.46Å; A865-L994 HydrophobicContact CB-CD2 4.39Å; A865-L994 WeakPolarHBondContact O-CD2 3.13Å |
| 866 | R | 91.1 | Very high | 92.2 | Very high | 182 Ų | 182 | 41.9 Ų | 41.9 | 69% | 0.687 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -73.2 | -17 | -177.9 | -68 | -177.1 | 179.6 | 164.4 | 1.1 | 114.3 | V864 P870 | V864-R866 PolarHBondContact O-N 3.05Å; R866-P870 WeakPolarHBondContact O-CD 3.48Å; R866-P870 WeakPolarHBondContact O-CG 3.06Å |
| 867 | S | 92 | Very high | 92.5 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 27% | 0.266 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -98.3 | -14.7 | 179.7 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | V829 V864 A865 P870 S871 | V829-S867 VanDerWaalsContact CG1-OG 3.23Å; V829-S867 WeakPolarHBondContact CG1-OG 3.31Å; V864-S867 PolarHBondContact O-N 3.11Å; V864-S867 PolarHBondContact O-OG 3.23Å; A865-S867 VanDerWaalsContact C-N 3.3Å; A865-S867 PolarHBondContact O-N 3.5Å; S867-P870 WeakPolarHBondContact O-CD 3.24Å; S867-S871 VanDerWaalsContact O-CB 3.24Å; S867-S871 WeakPolarHBondContact O-CB 3.37Å; S867-S871 PolarHBondContact O-N 3Å; S867-S871 PolarHBondContact O-OG 2.89Å |
| 868 | I | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -54.1 | -177.6 | -64.1 | 174.6 | 0 | 0 | 0 | 111.7 | L848 I851 A852 I861 V864 S871 C872 W990 L994 | L848-I868 HydrophobicContact CB-CG2 4.39Å; I851-I868 HydrophobicContact CD1-CD1 4.36Å; A852-I868 HydrophobicContact CB-CG2 4.48Å; I861-I868 HydrophobicContact CG2-CD1 4.36Å; V864-I868 HydrophobicContact CG2-CD1 4.41Å; V864-I868 HydrophobicContact CG2-CG1 4.39Å; V864-I868 PolarHBondContact O-N 3.42Å; I868-S871 WeakPolarHBondContact O-CB 3.47Å; I868-S871 PolarHBondContact O-N 3.4Å; I868-C872 PolarHBondContact O-N 3.01Å; I868-C872 PolarHBondContact O-SG 3.32Å; I868-C872 VanDerWaalsContact O-SG 3.38Å; I868-W990 HydrophobicContact CD1-CZ2 4.47Å; I868-L994 HydrophobicContact CB-CD2 4.13Å; I868-L994 HydrophobicContact CD1-CD2 3.94Å; I868-L994 HydrophobicContact CG2-CD2 4.49Å |
| 869 | I | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68 | -43.4 | -178 | -55.4 | -61 | 0 | 0 | 0 | 112.3 | S871 C872 I873 F976 L980 L994 L998 L1006 | I869-S871 VanDerWaalsContact C-N 3.25Å; I869-S871 PolarHBondContact O-N 3.29Å; I869-C872 WeakPolarHBondContact O-CB 3.29Å; I869-C872 PolarHBondContact O-N 2.96Å; I869-I873 HydrophobicContact CG2-CD1 4.21Å; I869-I873 WeakPolarHBondContact O-CG1 3.36Å; I869-I873 PolarHBondContact O-N 3.46Å; I869-F976 HydrophobicContact CD1-CE2 4.14Å; I869-F976 HydrophobicContact CD1-CZ 4.22Å; I869-L980 HydrophobicContact CD1-CD1 4.03Å; I869-L994 HydrophobicContact CD1-CB 4.42Å; I869-L994 HydrophobicContact CG1-CB 3.83Å; I869-L994 WeakPolarHBondContact CG1-O 3.49Å; I869-L998 HydrophobicContact CB-CD2 4.25Å; I869-L998 HydrophobicContact CG2-CD1 3.87Å; I869-L998 HydrophobicContact CG2-CD2 4.02Å; I869-L998 HydrophobicContact CG2-CG 4.48Å; I869-L1006 HydrophobicContact CG2-CD1 4.36Å |
| 870 | P | 93.7 | Very high | 92.5 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 16% | 0.156 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.1 | -41.6 | 169.1 | -30.4 | 37.2 | 0 | 0 | 0 | 113.6 | R866 S867 I873 V874 L998 | R866-P870 WeakPolarHBondContact O-CD 3.48Å; R866-P870 WeakPolarHBondContact O-CG 3.06Å; S867-P870 WeakPolarHBondContact O-CD 3.24Å; P870-I873 WeakPolarHBondContact O-CB 3.29Å; P870-I873 PolarHBondContact O-N 2.95Å; P870-V874 WeakPolarHBondContact O-CG2 3.44Å; P870-V874 PolarHBondContact O-N 3.24Å; P870-L998 HydrophobicContact CG-CD2 3.72Å |
| 871 | S | 94.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.1 | -62 | 0 | 0 | 0 | 0 | 111.8 | S867 I868 I869 I873 V874 L875 | S867-S871 VanDerWaalsContact O-CB 3.24Å; S867-S871 WeakPolarHBondContact O-CB 3.37Å; S867-S871 PolarHBondContact O-N 3Å; S867-S871 PolarHBondContact O-OG 2.89Å; I868-S871 WeakPolarHBondContact O-CB 3.47Å; I868-S871 PolarHBondContact O-N 3.4Å; I869-S871 VanDerWaalsContact C-N 3.25Å; I869-S871 PolarHBondContact O-N 3.29Å; S871-I873 VanDerWaalsContact C-N 3.29Å; S871-I873 PolarHBondContact O-N 2.66Å; S871-V874 PolarHBondContact O-N 3.2Å; S871-L875 WeakPolarHBondContact O-CG 3.33Å; S871-L875 PolarHBondContact O-N 3.12Å; S871-L875 VanDerWaalsContact O-N 3.12Å |
| 872 | C | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.3 | -40.3 | 173.4 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | L845 I868 I869 L875 F876 F976 | L845-C872 HydrophobicContact CD1-CB 3.7Å; I868-C872 PolarHBondContact O-N 3.01Å; I868-C872 PolarHBondContact O-SG 3.32Å; I868-C872 VanDerWaalsContact O-SG 3.38Å; I869-C872 WeakPolarHBondContact O-CB 3.29Å; I869-C872 PolarHBondContact O-N 2.96Å; C872-L875 PolarHBondContact O-N 3.18Å; C872-F876 HydrophobicContact CB-CE2 4.47Å; C872-F876 WeakPolarHBondContact O-CD2 3.39Å; C872-F876 PolarHBondContact O-N 3.3Å; C872-F976 HydrophobicContact CB-CD2 4.21Å; C872-F976 HydrophobicContact CB-CE2 3.57Å; C872-F976 HydrophobicContact CB-CZ 4.11Å |
| 873 | I | 93.9 | Very high | 92 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 178.9 | -69 | 165.7 | 0 | 0 | 0 | 111 | I869 P870 S871 L875 F876 E877 L998 Q1002 L1006 | I869-I873 HydrophobicContact CG2-CD1 4.21Å; I869-I873 WeakPolarHBondContact O-CG1 3.36Å; I869-I873 PolarHBondContact O-N 3.46Å; P870-I873 WeakPolarHBondContact O-CB 3.29Å; P870-I873 PolarHBondContact O-N 2.95Å; S871-I873 VanDerWaalsContact C-N 3.29Å; S871-I873 PolarHBondContact O-N 2.66Å; I873-L875 VanDerWaalsContact C-N 3.28Å; I873-L875 PolarHBondContact O-N 2.93Å; I873-F876 PolarHBondContact O-N 2.71Å; I873-F876 VanDerWaalsContact O-N 3.15Å; I873-E877 HydrophobicContact CG2-CG 4.45Å; I873-E877 WeakPolarHBondContact O-CG 3.17Å; I873-E877 PolarHBondContact O-N 3.16Å; I873-L998 HydrophobicContact CD1-CD2 4.21Å; I873-Q1002 HydrophobicContact CD1-CB 3.8Å; I873-Q1002 HydrophobicContact CD1-CG 4.28Å; I873-Q1002 WeakPolarHBondContact CD1-O 3.41Å; I873-L1006 HydrophobicContact CD1-CB 4.41Å |
| 874 | V | 93.4 | Very high | 91.7 | Very high | 68 Ų | 68 | 38.5 Ų | 38.5 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57 | -43.5 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | P870 S871 E877 G878 | P870-V874 WeakPolarHBondContact O-CG2 3.44Å; P870-V874 PolarHBondContact O-N 3.24Å; S871-V874 PolarHBondContact O-N 3.2Å; V874-E877 PolarHBondContact O-N 3.04Å; V874-G878 PolarHBondContact O-N 3.38Å |
| 875 | L | 94.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 177.2 | -66.8 | 168.6 | 0 | 0 | 0 | 112.3 | V832 F835 R841 C844 L845 L848 S871 C872 I873 G878 L879 | V832-L875 HydrophobicContact CG1-CD1 3.98Å; V832-L875 HydrophobicContact CG1-CD2 3.83Å; V832-L875 HydrophobicContact CG1-CG 3.67Å; F835-L875 HydrophobicContact CB-CD2 4.3Å; R841-L875 HydrophobicContact CB-CD2 4.16Å; R841-L875 HydrophobicContact CG-CD2 3.97Å; C844-L875 HydrophobicContact CB-CD1 3.93Å; C844-L875 HydrophobicContact CB-CD2 4.2Å; L845-L875 HydrophobicContact CB-CD1 4.18Å; L845-L875 HydrophobicContact CD1-CD1 4.4Å; L848-L875 HydrophobicContact CD1-CD1 3.87Å; S871-L875 WeakPolarHBondContact O-CG 3.33Å; S871-L875 PolarHBondContact O-N 3.12Å; S871-L875 VanDerWaalsContact O-N 3.12Å; C872-L875 PolarHBondContact O-N 3.18Å; I873-L875 VanDerWaalsContact C-N 3.28Å; I873-L875 PolarHBondContact O-N 2.93Å; L875-G878 PolarHBondContact O-N 3.38Å; L875-L879 WeakPolarHBondContact O-CB 3.42Å; L875-L879 WeakPolarHBondContact O-CG 3.13Å; L875-L879 PolarHBondContact O-N 3.06Å |
| 876 | F | 95.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | 176.4 | -79.5 | -58.9 | 0 | 0 | 0 | 112.9 | L845 C872 I873 G878 L879 Q880 E972 Y973 F976 V1009 | L845-F876 HydrophobicContact CD1-CD2 4.17Å; L845-F876 HydrophobicContact CD1-CE1 4.49Å; L845-F876 HydrophobicContact CD1-CE2 3.65Å; L845-F876 HydrophobicContact CD1-CZ 3.85Å; L845-F876 HydrophobicContact CD2-CE1 3.64Å; L845-F876 HydrophobicContact CD2-CE2 4.14Å; L845-F876 HydrophobicContact CD2-CZ 3.43Å; L845-F876 VanDerWaalsContact CD2-CZ 3.43Å; L845-F876 HydrophobicContact CG-CZ 4.25Å; C872-F876 HydrophobicContact CB-CE2 4.47Å; C872-F876 WeakPolarHBondContact O-CD2 3.39Å; C872-F876 PolarHBondContact O-N 3.3Å; I873-F876 PolarHBondContact O-N 2.71Å; I873-F876 VanDerWaalsContact O-N 3.15Å; F876-G878 VanDerWaalsContact C-N 3.3Å; F876-G878 PolarHBondContact O-N 3Å; F876-L879 HydrophobicContact CD1-CD1 4.27Å; F876-L879 PolarHBondContact O-N 3.16Å; F876-Q880 WeakPolarHBondContact O-CB 3.45Å; F876-Q880 PolarHBondContact O-N 3.37Å; F876-E972 HydrophobicContact CE1-CG 4.32Å; F876-Y973 AromaticContact CD1-CD1 3.8Å; F876-Y973 HydrophobicContact CD1-CD1 3.8Å; F876-Y973 AromaticContact CD1-CE1 3.38Å; F876-Y973 HydrophobicContact CD1-CE1 3.38Å; F876-Y973 AromaticContact CD1-CZ 3.8Å; F876-Y973 AromaticContact CE1-CD1 3.56Å; F876-Y973 HydrophobicContact CE1-CD1 3.56Å; F876-Y973 HydrophobicContact CE1-CD2 4.44Å; F876-Y973 AromaticContact CE1-CE1 3.66Å; F876-Y973 HydrophobicContact CE1-CE1 3.66Å; F876-Y973 AromaticContact CE1-CG 3.96Å; F876-Y973 HydrophobicContact CE1-CG 3.96Å; F876-Y973 HydrophobicContact CG-CE1 4.29Å; F876-Y973 HydrophobicContact CZ-CD1 4.37Å; F876-F976 HydrophobicContact CE2-CB 4.05Å; F876-F976 AromaticContact CE2-CD1 3.6Å; F876-F976 HydrophobicContact CE2-CD1 3.6Å; F876-F976 AromaticContact CE2-CD2 3.99Å; F876-F976 HydrophobicContact CE2-CD2 3.99Å; F876-F976 AromaticContact CE2-CE1 3.98Å; F876-F976 HydrophobicContact CE2-CE1 3.98Å; F876-F976 HydrophobicContact CE2-CE2 4.35Å; F876-F976 AromaticContact CE2-CG 3.6Å; F876-F976 HydrophobicContact CE2-CG 3.6Å; F876-F976 HydrophobicContact CE2-CZ 4.34Å; F876-F976 HydrophobicContact CZ-CB 3.64Å; F876-F976 AromaticContact CZ-CD1 3.92Å; F876-F976 HydrophobicContact CZ-CD1 3.92Å; F876-F976 HydrophobicContact CZ-CD2 4.4Å; F876-F976 AromaticContact CZ-CG 3.73Å; F876-F976 HydrophobicContact CZ-CG 3.73Å; F876-V1009 HydrophobicContact CB-CG2 3.72Å; F876-V1009 HydrophobicContact CD1-CG1 4.32Å; F876-V1009 HydrophobicContact CD1-CG2 4.25Å; F876-V1009 HydrophobicContact CD2-CB 4.34Å; F876-V1009 HydrophobicContact CD2-CG1 3.76Å; F876-V1009 HydrophobicContact CD2-CG2 3.58Å; F876-V1009 HydrophobicContact CE1-CG1 4.08Å; F876-V1009 HydrophobicContact CE2-CG1 3.49Å; F876-V1009 VanDerWaalsContact CE2-CG1 3.49Å; F876-V1009 HydrophobicContact CE2-CG2 4.22Å; F876-V1009 HydrophobicContact CG-CG1 4.17Å; F876-V1009 HydrophobicContact CG-CG2 3.6Å; F876-V1009 HydrophobicContact CZ-CG1 3.65Å |
| 877 | E | 92 | Very high | 90.2 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 36% | 0.36 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66 | -33.9 | 175.6 | -71.2 | 175.7 | 178.7 | 0 | 0 | 112 | I873 V874 R881 S1005 | I873-E877 HydrophobicContact CG2-CG 4.45Å; I873-E877 WeakPolarHBondContact O-CG 3.17Å; I873-E877 PolarHBondContact O-N 3.16Å; V874-E877 PolarHBondContact O-N 3.04Å; E877-R881 PolarHBondContact O-N 2.81Å; E877-R881 PolarHBondContact O-NE 3.18Å; E877-R881 VanDerWaalsContact O-NE 3.09Å; E877-S1005 WeakPolarHBondContact OE1-CB 3.28Å; E877-S1005 PolarHBondContact OE1-OG 3.12Å |
| 878 | G | 91 | Very high | 89.5 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.6 | -44.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V874 L875 F876 Q880 R881 A882 | V874-G878 PolarHBondContact O-N 3.38Å; L875-G878 PolarHBondContact O-N 3.38Å; F876-G878 VanDerWaalsContact C-N 3.3Å; F876-G878 PolarHBondContact O-N 3Å; G878-Q880 VanDerWaalsContact C-N 3.35Å; G878-Q880 PolarHBondContact O-N 3.41Å; G878-R881 PolarHBondContact O-N 2.62Å; G878-A882 PolarHBondContact O-N 3.1Å |
| 879 | L | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.3 | -82 | 165.8 | 0 | 0 | 0 | 112.3 | I838 R841 K842 L875 F876 R881 A882 Y883 E972 | I838-L879 HydrophobicContact CB-CD2 4.49Å; I838-L879 HydrophobicContact CG2-CD2 4.09Å; I838-L879 WeakPolarHBondContact O-CD2 2.94Å; R841-L879 HydrophobicContact CB-CD1 4.2Å; R841-L879 HydrophobicContact CB-CD2 3.79Å; R841-L879 HydrophobicContact CB-CG 3.7Å; K842-L879 HydrophobicContact CG-CD2 4.16Å; L875-L879 WeakPolarHBondContact O-CB 3.42Å; L875-L879 WeakPolarHBondContact O-CG 3.13Å; L875-L879 PolarHBondContact O-N 3.06Å; F876-L879 HydrophobicContact CD1-CD1 4.27Å; F876-L879 PolarHBondContact O-N 3.16Å; L879-R881 VanDerWaalsContact C-N 3.34Å; L879-R881 PolarHBondContact O-N 3.49Å; L879-A882 PolarHBondContact O-N 3.03Å; L879-Y883 HydrophobicContact CB-CD2 4.44Å; L879-Y883 HydrophobicContact CB-CE2 4.25Å; L879-Y883 HydrophobicContact CD2-CE2 4.29Å; L879-Y883 WeakPolarHBondContact O-CD2 3.26Å; L879-Y883 PolarHBondContact O-N 3.42Å; L879-E972 HydrophobicContact CD1-CG 4.24Å |
| 880 | Q | 89 | Confident | 87.4 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 177.6 | -176.2 | -175.5 | -15.6 | 0 | 0 | 111 | F876 G878 A882 Y883 E884 | F876-Q880 WeakPolarHBondContact O-CB 3.45Å; F876-Q880 PolarHBondContact O-N 3.37Å; G878-Q880 VanDerWaalsContact C-N 3.35Å; G878-Q880 PolarHBondContact O-N 3.41Å; Q880-A882 VanDerWaalsContact C-N 3.33Å; Q880-A882 PolarHBondContact O-N 2.94Å; Q880-Y883 PolarHBondContact O-N 3.21Å; Q880-E884 VanDerWaalsContact CG-OE1 3.31Å; Q880-E884 WeakPolarHBondContact CG-OE1 3.27Å; Q880-E884 PolarHBondContact NE2-OE1 3.48Å; Q880-E884 WeakPolarHBondContact O-CG 3.32Å; Q880-E884 PolarHBondContact O-N 2.96Å |
| 881 | R | 88.2 | Confident | 86 | Confident | 149 Ų | 149 | 54.6 Ų | 54.6 | 56% | 0.562 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 176.9 | -75.1 | -179.5 | -87.2 | 163.4 | -9.6 | 112 | E877 G878 L879 E884 A885 | E877-R881 PolarHBondContact O-N 2.81Å; E877-R881 PolarHBondContact O-NE 3.18Å; E877-R881 VanDerWaalsContact O-NE 3.09Å; G878-R881 PolarHBondContact O-N 2.62Å; L879-R881 VanDerWaalsContact C-N 3.34Å; L879-R881 PolarHBondContact O-N 3.49Å; R881-E884 PolarHBondContact O-N 3.3Å; R881-A885 PolarHBondContact O-N 3.1Å |
| 882 | A | 86.3 | Confident | 84.1 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I838 G878 L879 Q880 K886 | I838-A882 HydrophobicContact CD1-CB 4.45Å; I838-A882 HydrophobicContact CG1-CB 3.65Å; G878-A882 PolarHBondContact O-N 3.1Å; L879-A882 PolarHBondContact O-N 3.03Å; Q880-A882 VanDerWaalsContact C-N 3.33Å; Q880-A882 PolarHBondContact O-N 2.94Å; A882-K886 WeakPolarHBondContact O-CB 3.36Å; A882-K886 PolarHBondContact O-N 3.23Å |
| 883 | Y | 87.4 | Confident | 81.8 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 173.9 | -71.9 | -48.4 | 0 | 0 | 0 | 112.9 | I838 K842 L879 Q880 A887 E972 Y973 | I838-Y883 HydrophobicContact CD1-CD1 3.85Å; I838-Y883 HydrophobicContact CD1-CE1 4Å; I838-Y883 HydrophobicContact CG1-CD1 4.42Å; I838-Y883 HydrophobicContact CG1-CE1 4.4Å; I838-Y883 HydrophobicContact CG2-CE1 3.73Å; K842-Y883 WeakPolarHBondContact CE-OH 3.33Å; K842-Y883 PolarHBondContact NZ-OH 3.21Å; L879-Y883 HydrophobicContact CB-CD2 4.44Å; L879-Y883 HydrophobicContact CB-CE2 4.25Å; L879-Y883 HydrophobicContact CD2-CE2 4.29Å; L879-Y883 WeakPolarHBondContact O-CD2 3.26Å; L879-Y883 PolarHBondContact O-N 3.42Å; Q880-Y883 PolarHBondContact O-N 3.21Å; Y883-A887 WeakPolarHBondContact O-CB 3.39Å; Y883-A887 PolarHBondContact O-N 2.87Å; Y883-E972 WeakPolarHBondContact CE2-OE1 3.39Å; Y883-E972 VanDerWaalsContact OH-CD 3.27Å; Y883-E972 PolarHBondContact OH-OE1 3.42Å; Y883-Y973 HydrophobicContact CE2-CE2 4.15Å |
| 884 | E | 85.4 | Confident | 79.4 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 174.8 | -74.6 | 165.9 | -174.3 | 0 | 0 | 110.4 | Q880 R881 A887 E888 | Q880-E884 VanDerWaalsContact CG-OE1 3.31Å; Q880-E884 WeakPolarHBondContact CG-OE1 3.27Å; Q880-E884 PolarHBondContact NE2-OE1 3.48Å; Q880-E884 WeakPolarHBondContact O-CG 3.32Å; Q880-E884 PolarHBondContact O-N 2.96Å; R881-E884 PolarHBondContact O-N 3.3Å; E884-A887 PolarHBondContact O-N 3.21Å; E884-E888 WeakPolarHBondContact O-CG 3.4Å; E884-E888 PolarHBondContact O-N 3.48Å |
| 885 | A | 82.3 | Confident | 76.7 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R881 A887 E888 E889 | R881-A885 PolarHBondContact O-N 3.1Å; A885-A887 VanDerWaalsContact C-N 3.29Å; A885-A887 PolarHBondContact O-N 3.25Å; A885-E888 WeakPolarHBondContact O-CB 3.31Å; A885-E888 PolarHBondContact O-N 3.48Å; A885-E888 VanDerWaalsContact O-N 3.14Å; A885-E889 PolarHBondContact O-N 3.37Å |
| 886 | K | 80.6 | Confident | 73.8 | Confident | 96 Ų | 96 | 78.4 Ų | 78.4 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 177.1 | -176.6 | 170 | -179 | 167.1 | 0 | 112.6 | I838 A882 E890 | I838-K886 HydrophobicContact CD1-CB 4.4Å; I838-K886 HydrophobicContact CD1-CD 3.83Å; A882-K886 WeakPolarHBondContact O-CB 3.36Å; A882-K886 PolarHBondContact O-N 3.23Å; K886-E890 WeakPolarHBondContact CE-OE1 3.47Å; K886-E890 WeakPolarHBondContact O-CB 3.48Å; K886-E890 WeakPolarHBondContact O-CG 3.23Å; K886-E890 PolarHBondContact O-N 3.04Å |
| 887 | A | 80.2 | Confident | 71 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.8 | -34.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y883 E884 A885 S891 | Y883-A887 WeakPolarHBondContact O-CB 3.39Å; Y883-A887 PolarHBondContact O-N 2.87Å; E884-A887 PolarHBondContact O-N 3.21Å; A885-A887 VanDerWaalsContact C-N 3.29Å; A885-A887 PolarHBondContact O-N 3.25Å; A887-S891 WeakPolarHBondContact O-CB 3.21Å; A887-S891 PolarHBondContact O-N 2.83Å; A887-S891 PolarHBondContact O-OG 3.34Å |
| 888 | E | 76.3 | Confident | 68.2 | Low | 126 Ų | 126 | 91.7 Ų | 91.7 | 59% | 0.589 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.6 | -46.1 | 173.4 | -74.1 | 175.8 | 179.6 | 0 | 0 | 110.7 | E884 A885 S891 E892 | E884-E888 WeakPolarHBondContact O-CG 3.4Å; E884-E888 PolarHBondContact O-N 3.48Å; A885-E888 WeakPolarHBondContact O-CB 3.31Å; A885-E888 PolarHBondContact O-N 3.48Å; A885-E888 VanDerWaalsContact O-N 3.14Å; E888-S891 PolarHBondContact O-N 3.48Å; E888-S891 VanDerWaalsContact O-N 3.13Å; E888-S891 PolarHBondContact O-OG 2.73Å; E888-E892 PolarHBondContact O-N 3.26Å |
| 889 | E | 72.2 | Confident | 65.3 | Low | 108 Ų | 108 | 100.7 Ų | 100.7 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.2 | -72.9 | 175.4 | 178.9 | 0 | 0 | 113.1 | A885 S891 E892 S893 | A885-E889 PolarHBondContact O-N 3.37Å; E889-S891 PolarHBondContact O-N 2.66Å; E889-E892 PolarHBondContact O-N 2.91Å; E889-S893 PolarHBondContact O-N 3.37Å; E889-S893 VanDerWaalsContact O-N 3.08Å |
| 890 | E | 71.4 | Confident | 62.4 | Low | 115 Ų | 115 | 108.4 Ų | 108.4 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.8 | -33.4 | 175.4 | -74.9 | 176.8 | -170.3 | 0 | 0 | 111.3 | K886 S893 T894 | K886-E890 WeakPolarHBondContact CE-OE1 3.47Å; K886-E890 WeakPolarHBondContact O-CB 3.48Å; K886-E890 WeakPolarHBondContact O-CG 3.23Å; K886-E890 PolarHBondContact O-N 3.04Å; E890-S893 PolarHBondContact O-OG 2.85Å; E890-T894 PolarHBondContact O-OG1 3.05Å |
| 891 | S | 65.1 | Low | 59.7 | Low | 55 Ų | 55 | 113.3 Ų | 113.3 | 39% | 0.385 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74.2 | -39.8 | 176.8 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | A887 E888 E889 S893 T894 D895 | A887-S891 WeakPolarHBondContact O-CB 3.21Å; A887-S891 PolarHBondContact O-N 2.83Å; A887-S891 PolarHBondContact O-OG 3.34Å; E888-S891 PolarHBondContact O-N 3.48Å; E888-S891 VanDerWaalsContact O-N 3.13Å; E888-S891 PolarHBondContact O-OG 2.73Å; E889-S891 PolarHBondContact O-N 2.66Å; S891-S893 PolarHBondContact O-N 2.97Å; S891-T894 PolarHBondContact O-N 2.88Å; S891-T894 VanDerWaalsContact O-N 3.08Å; S891-T894 PolarHBondContact O-OG1 3.35Å; S891-T894 VanDerWaalsContact O-OG1 3.11Å; S891-D895 PolarHBondContact O-N 3.48Å; S891-D895 VanDerWaalsContact O-N 3.12Å |
| 892 | E | 53.4 | Low | 57 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.1 | -30.3 | 175 | -71.5 | -168.8 | 172.1 | 0 | 0 | 111.8 | E888 E889 T894 N896 | E888-E892 PolarHBondContact O-N 3.26Å; E889-E892 PolarHBondContact O-N 2.91Å; E892-T894 VanDerWaalsContact C-N 3.25Å; E892-T894 PolarHBondContact O-N 3.45Å; E892-N896 PolarHBondContact O-ND2 3.08Å |
| 893 | S | 48.4 | Very low | 54.1 | Low | 89 Ų | 89 | 120.9 Ų | 120.9 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.5 | -23 | 173.7 | 80 | 0 | 0 | 0 | 0 | 113.5 | E889 E890 S891 | E889-S893 PolarHBondContact O-N 3.37Å; E889-S893 VanDerWaalsContact O-N 3.08Å; E890-S893 PolarHBondContact O-OG 2.85Å; S891-S893 PolarHBondContact O-N 2.97Å |
| 894 | T | 42.4 | Very low | 51.3 | Low | 103 Ų | 103 | 123.1 Ų | 123.1 | 63% | 0.632 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -96.7 | -25.2 | -178.6 | 25.2 | 0 | 0 | 0 | 0 | 114.1 | E890 S891 E892 | E890-T894 PolarHBondContact O-OG1 3.05Å; S891-T894 PolarHBondContact O-N 2.88Å; S891-T894 VanDerWaalsContact O-N 3.08Å; S891-T894 PolarHBondContact O-OG1 3.35Å; S891-T894 VanDerWaalsContact O-OG1 3.11Å; E892-T894 VanDerWaalsContact C-N 3.25Å; E892-T894 PolarHBondContact O-N 3.45Å |
| 895 | D | 37.4 | Very low | 48.4 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90 | -7.9 | -179.4 | -78.9 | -19 | 0 | 0 | 0 | 114.2 | S891 E897 | S891-D895 PolarHBondContact O-N 3.48Å; S891-D895 VanDerWaalsContact O-N 3.12Å; D895-E897 VanDerWaalsContact C-N 3.33Å; D895-E897 PolarHBondContact O-N 3.3Å |
| 896 | N | 32.5 | Very low | 45.7 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 12.4 | -178.7 | -80.7 | -44.1 | 0 | 0 | 0 | 115.7 | E892 | E892-N896 PolarHBondContact O-ND2 3.08Š|
| 897 | E | 37.2 | Very low | 43.2 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -0.7 | 171.3 | -73 | -160.6 | 169.7 | 0 | 0 | 114.8 | D895 | D895-E897 VanDerWaalsContact C-N 3.33Å; D895-E897 PolarHBondContact O-N 3.3Å |
| 898 | E | 33.5 | Very low | 40.6 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -138.2 | 50.5 | -179.8 | -67.3 | -165.5 | 172.5 | 0 | 0 | 116.1 | ||
| 899 | E | 30.6 | Very low | 38.2 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -143 | 54.8 | 158.3 | -75.1 | -160 | 169.3 | 0 | 0 | 112.8 | ||||
| 900 | D | 30.8 | Very low | 36 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -100.8 | 55.9 | 175 | -129.4 | 3.5 | 0 | 0 | 0 | 110.9 | ||||
| 901 | D | 33 | Very low | 33.7 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -158.6 | 58.1 | 179 | -116.1 | -9.4 | 0 | 0 | 0 | 114.3 | ||||
| 902 | D | 29.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -158.9 | 34.6 | 154.9 | -112.7 | -17.5 | 0 | 0 | 0 | 117.2 | T904 | D902-T904 PolarHBondContact O-N 3.41Å; D902-T904 VanDerWaalsContact O-N 3.16Å | ||
| 903 | L | 27.2 | Very low | 30.2 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | trans | -86.8 | 50.7 | 167.2 | -73.6 | 173.7 | 0 | 0 | 0 | 112.5 | ||||
| 904 | T | 27.6 | Very low | 29.1 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -142.5 | 87.3 | 166.1 | 61.6 | 0 | 0 | 0 | 0 | 114 | D902 | D902-T904 PolarHBondContact O-N 3.41Å; D902-T904 VanDerWaalsContact O-N 3.16Å | ||
| 905 | K | 25.5 | Very low | 28.1 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | trans | 162.6 | 135.3 | 148 | -89 | 149.1 | -162.2 | 168 | 0 | 106.4 | ||||
| 906 | S | 26 | Very low | 27.6 | Very low | 93 Ų | 93 | 142 Ų | 142 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | cis | -174.8 | 118.6 | 17.8 | 158.3 | 0 | 0 | 0 | 0 | 106.3 | S908 | S906-S908 PolarHBondContact O-N 3.44Š| ||
| 907 | D | 27.2 | Very low | 27.1 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -53.9 | 116.4 | 154.3 | -74.1 | -44.7 | 0 | 0 | 0 | 109 | ||||
| 908 | S | 26.4 | Very low | 26.5 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 58% | 0.58 | 80% | 0.804 | S | S | * | * | trans | 179.1 | 116.5 | 144.6 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | S906 | S906-S908 PolarHBondContact O-N 3.44Š| ||
| 909 | D | 25.7 | Very low | 26.1 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 67.7 | 111.9 | 130.4 | -56.1 | -23.4 | 0 | 0 | 0 | 121 | ||||
| 910 | E | 25.6 | Very low | 25.6 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | 19.8 | 114.1 | 128.8 | -60.2 | -174.7 | 170 | 0 | 0 | 116.7 | |||||
| 911 | N | 23.7 | Very low | 25.3 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | 169.1 | 126.5 | 114.3 | -95.7 | -52 | 0 | 0 | 0 | 116 | |||||
| 912 | T | 22.2 | Very low | 24.9 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | trans | 59 | 118.7 | 136.5 | 4.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 913 | S | 22.5 | Very low | 24.7 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 83.3 | 135 | 130.9 | 83.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 914 | G | 23.9 | Very low | 24.5 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 130.6 | 77.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 915 | G | 21.2 | Very low | 24.5 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 153.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 916 | V | 27 | Very low | 24.4 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -141.8 | 119.9 | 150.2 | -169.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 917 | A | 22.1 | Very low | 24.5 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -68 | 128.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 918 | V | 25.9 | Very low | 24.5 | Very low | 144 Ų | 144 | 129 Ų | 129 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | trans | -124.7 | 127.8 | 153.2 | -180 | 0 | 0 | 0 | 0 | 106 | ||||
| 919 | A | 24.3 | Very low | 24.4 | Very low | 82 Ų | 82 | 133 Ų | 133 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -86.1 | 147.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 920 | E | 21.1 | Very low | 24.4 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 74.3 | 128.3 | 146.1 | -72.9 | 173.8 | 170.8 | 0 | 0 | 121 | ||||
| 921 | D | 24.4 | Very low | 24.4 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | 73.4 | 88.2 | 157.1 | -68.7 | -5.8 | 0 | 0 | 0 | 120.4 | ||||
| 922 | G | 24.6 | Very low | 24.5 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 174 | 75.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q924 | G922-Q924 PolarHBondContact O-N 3.14Š| ||
| 923 | L | 24.1 | Very low | 24.6 | Very low | 174 Ų | 174 | 136 Ų | 136 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -65.9 | 75.2 | 176.9 | -78 | 160.8 | 0 | 0 | 0 | 110.6 | ||||
| 924 | Q | 23.8 | Very low | 24.8 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -90.7 | 92 | 160.8 | -71.8 | 179.8 | -9.6 | 0 | 0 | 107.1 | G922 | G922-Q924 PolarHBondContact O-N 3.14Š| ||
| 925 | H | 26.6 | Very low | 25 | Very low | 173 Ų | 173 | 139 Ų | 139 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | -94.8 | 96.7 | 168.4 | -122.6 | -61.2 | 0 | 0 | 0 | 108.7 | A927 | H925-A927 PolarHBondContact O-N 3.42Å; H925-A927 VanDerWaalsContact O-N 3.08Å | ||
| 926 | E | 24.9 | Very low | 25.1 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -47.2 | 109 | 160.7 | -64.6 | 175.1 | 148.6 | 0 | 0 | 109.5 | ||||
| 927 | A | 26.6 | Very low | 25 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -113.6 | 91.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | H925 | H925-A927 PolarHBondContact O-N 3.42Å; H925-A927 VanDerWaalsContact O-N 3.08Å | ||
| 928 | A | 27 | Very low | 25.1 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | 23.7 | 108.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | D930 | A928-D930 VanDerWaalsContact C-N 3.26Å; A928-D930 PolarHBondContact O-N 3.17Å | ||
| 929 | N | 24.4 | Very low | 24.9 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -47.8 | 85.7 | 150.9 | -91.2 | -26.2 | 0 | 0 | 0 | 111.2 | ||||
| 930 | D | 26.6 | Very low | 24.9 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | -119.4 | 93.4 | 157.4 | -93.9 | -24.9 | 0 | 0 | 0 | 106.7 | A928 L932 | A928-D930 VanDerWaalsContact C-N 3.26Å; A928-D930 PolarHBondContact O-N 3.17Å; D930-L932 PolarHBondContact O-N 3.3Å | ||
| 931 | K | 25.4 | Very low | 25.2 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -51.5 | 102.4 | 166.7 | -73.3 | -179 | 172.8 | -172.6 | 0 | 107.9 | D933 | K931-D933 PolarHBondContact O-N 3.14Š| ||
| 932 | L | 25.9 | Very low | 25.2 | Very low | 142 Ų | 142 | 143 Ų | 143 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 111.8 | 167.5 | -79.1 | 159.5 | 0 | 0 | 0 | 106.8 | D930 T934 | D930-L932 PolarHBondContact O-N 3.3Å; L932-T934 PolarHBondContact O-N 3.18Å | ||
| 933 | D | 25.3 | Very low | 25.3 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -53.9 | 100.6 | 169 | -68.4 | -38.1 | 0 | 0 | 0 | 108.7 | K931 D935 | K931-D933 PolarHBondContact O-N 3.14Å; D933-D935 PolarHBondContact O-N 3.12Å | ||
| 934 | T | 26.4 | Very low | 25.3 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -80.3 | 104.4 | 176.2 | 38.9 | 0 | 0 | 0 | 0 | 109.1 | L932 G936 | L932-T934 PolarHBondContact O-N 3.18Å; T934-G936 PolarHBondContact O-N 3.34Å | ||
| 935 | D | 27 | Very low | 25.4 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -53.6 | 130 | 156 | -80.3 | -30.8 | 0 | 0 | 0 | 107.6 | D933 | D933-D935 PolarHBondContact O-N 3.12Š| ||
| 936 | G | 24.4 | Very low | 25.2 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -63.3 | 167.5 | -159.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | T934 | T934-G936 PolarHBondContact O-N 3.34Š|
| 937 | I | 23.5 | Very low | 25.2 | Very low | 152 Ų | 152 | 143 Ų | 143 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | 96 | 108.8 | 159.5 | -52.7 | 171.8 | 0 | 0 | 0 | 116 | ||||
| 938 | E | 24.1 | Very low | 25.1 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 45.1 | 105.7 | 147.5 | -64.1 | 165.9 | -173.9 | 0 | 0 | 118 | ||||
| 939 | N | 22.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -111.3 | 106.7 | 155 | -74.4 | -46.9 | 0 | 0 | 0 | 108 | ||||
| 940 | D | 23.7 | Very low | 25.6 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -63.8 | 143.8 | 152.4 | -70 | -36.3 | 0 | 0 | 0 | 109.7 | ||||
| 941 | D | 27.2 | Very low | 25.8 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | 56.5 | 101.1 | 155.5 | -59.4 | -27.2 | 0 | 0 | 0 | 118.7 | ||||
| 942 | D | 24.8 | Very low | 26.2 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | -159.8 | 102.9 | 134.2 | -100.7 | -22.5 | 0 | 0 | 0 | 108.9 | K167 D944 | K167-D942 IonicContact NZ-OD2 3.76Å; K167-D942 PolarHBondContact NZ-OD2 3.04Å; D942-D944 PolarHBondContact O-N 2.84Å | ||
| 943 | S | 26.5 | Very low | 27.3 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | -42.1 | 125.9 | 166 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 944 | D | 23.4 | Very low | 28.8 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -173 | 58.1 | 143.4 | -91.5 | -19.4 | 0 | 0 | 0 | 109 | D942 T946 | D942-D944 PolarHBondContact O-N 2.84Å; D944-T946 PolarHBondContact O-N 3.35Å | ||
| 945 | Y | 26.9 | Very low | 30.9 | Very low | 227 Ų | 227 | 127.3 Ų | 127.3 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | -74.1 | 108.5 | 167.7 | -69.4 | -73 | 0 | 0 | 0 | 108.6 | F947 | Y945-F947 PolarHBondContact O-N 3Š| ||
| 946 | T | 23.1 | Very low | 33.6 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 85% | 0.853 | 66% | 0.661 | S | S | * | * | trans | -75.1 | 105.2 | 177.5 | 23.4 | 0 | 0 | 0 | 0 | 109.2 | D944 S948 | D944-T946 PolarHBondContact O-N 3.35Å; T946-S948 PolarHBondContact O-N 3.46Å | ||
| 947 | F | 23.7 | Very low | 36.4 | Very low | 169 Ų | 169 | 121 Ų | 121 | 74% | 0.741 | 64% | 0.641 | S | S | * | * | trans | -32.7 | 111.8 | 172.4 | -110.7 | -141.3 | 0 | 0 | 0 | 114 | Y945 D949 | Y945-F947 PolarHBondContact O-N 3Å; F947-D949 HydrophobicContact CD1-CB 4.22Å; F947-D949 WeakPolarHBondContact CD1-OD1 3.34Å; F947-D949 WeakPolarHBondContact CD1-OD2 3.48Å; F947-D949 WeakPolarHBondContact CE1-OD1 3.24Å; F947-D949 WeakPolarHBondContact CE1-OD2 3.29Å; F947-D949 VanDerWaalsContact CZ-OD1 3.27Å; F947-D949 WeakPolarHBondContact CZ-OD1 3.25Å | ||
| 948 | S | 25 | Very low | 39.2 | Very low | 94 Ų | 94 | 119.4 Ų | 119.4 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | trans | -113.9 | 80 | 158.5 | 163.6 | 0 | 0 | 0 | 0 | 106.9 | T946 E950 | T946-S948 PolarHBondContact O-N 3.46Å; S948-E950 VanDerWaalsContact C-N 3.3Å; S948-E950 PolarHBondContact O-N 3.15Å; S948-E950 VanDerWaalsContact O-N 3.15Å | ||
| 949 | D | 28.9 | Very low | 42.3 | Very low | 100 Ų | 100 | 111.9 Ų | 111.9 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -2.8 | -160.3 | -110.1 | -2.4 | 0 | 0 | 0 | 117.7 | F947 | F947-D949 HydrophobicContact CD1-CB 4.22Å; F947-D949 WeakPolarHBondContact CD1-OD1 3.34Å; F947-D949 WeakPolarHBondContact CD1-OD2 3.48Å; F947-D949 WeakPolarHBondContact CE1-OD1 3.24Å; F947-D949 WeakPolarHBondContact CE1-OD2 3.29Å; F947-D949 VanDerWaalsContact CZ-OD1 3.27Å; F947-D949 WeakPolarHBondContact CZ-OD1 3.25Å |
| 950 | E | 32 | Very low | 45.4 | Very low | 174 Ų | 174 | 108.5 Ų | 108.5 | 81% | 0.813 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -6 | -170.3 | -74.3 | -168.6 | 152.2 | 0 | 0 | 115.9 | S948 | S948-E950 VanDerWaalsContact C-N 3.3Å; S948-E950 PolarHBondContact O-N 3.15Å; S948-E950 VanDerWaalsContact O-N 3.15Å |
| 951 | I | 32.6 | Very low | 48.5 | Very low | 120 Ų | 120 | 101.7 Ų | 101.7 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -9.2 | -179.5 | -51.3 | 178.5 | 0 | 0 | 0 | 112.7 | S953 | I951-S953 VanDerWaalsContact C-N 3.33Å; I951-S953 PolarHBondContact O-N 3.44Å |
| 952 | G | 33.6 | Very low | 51.3 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 30.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 953 | S | 48.6 | Very low | 54.2 | Low | 24 Ų | 24 | 90.4 Ų | 90.4 | 17% | 0.168 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 21.6 | -179.3 | 86.4 | 0 | 0 | 0 | 0 | 115.3 | I951 | I951-S953 VanDerWaalsContact C-N 3.33Å; I951-S953 PolarHBondContact O-N 3.44Å |
| 954 | E | 56.9 | Low | 57.1 | Low | 103 Ų | 103 | 87.3 Ų | 87.3 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | trans | -75.3 | -25.4 | -175.8 | -71.6 | -179.4 | -168.6 | 0 | 0 | 113.8 | F956 E957 | E954-F956 PolarHBondContact O-N 3.09Å; E954-E957 PolarHBondContact O-N 3.34Å | ||
| 955 | D | 70.1 | Confident | 59.8 | Low | 103 Ų | 103 | 84.2 Ų | 84.2 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -30.2 | -169 | -67.8 | -13.5 | 0 | 0 | 0 | 113.7 | I958 | D955-I958 WeakPolarHBondContact O-CG1 3.22Š|
| 956 | F | 83.8 | Confident | 61.7 | Low | 10 Ų | 10 | 82.9 Ų | 82.9 | 4% | 0.044 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -8.8 | 178.2 | -60.4 | -78.3 | 0 | 0 | 0 | 114.5 | Y745 K748 E784 L788 E954 I958 Y959 | Y745-F956 HydrophobicContact CD1-CD1 4.16Å; Y745-F956 AromaticContact CD1-CE1 3.5Å; Y745-F956 HydrophobicContact CD1-CE1 3.5Å; Y745-F956 HydrophobicContact CD1-CZ 4.4Å; Y745-F956 HydrophobicContact CD2-CE1 4.2Å; Y745-F956 HydrophobicContact CD2-CZ 4.42Å; Y745-F956 HydrophobicContact CE1-CD1 4.26Å; Y745-F956 AromaticContact CE1-CE1 3.67Å; Y745-F956 HydrophobicContact CE1-CE1 3.67Å; Y745-F956 HydrophobicContact CE1-CZ 4.33Å; Y745-F956 HydrophobicContact CE2-CE1 4.32Å; Y745-F956 HydrophobicContact CE2-CZ 4.32Å; Y745-F956 AromaticContact CG-CE1 3.8Å; Y745-F956 HydrophobicContact CG-CE1 3.8Å; Y745-F956 HydrophobicContact CG-CZ 4.46Å; K748-F956 HydrophobicContact CB-CD1 3.94Å; K748-F956 HydrophobicContact CB-CE1 4.43Å; K748-F956 HydrophobicContact CD-CB 4.3Å; K748-F956 WeakPolarHBondContact CE-O 3.34Å; K748-F956 HydrophobicContact CG-CB 4.45Å; K748-F956 HydrophobicContact CG-CD1 3.99Å; E784-F956 HydrophobicContact CG-CD2 4.42Å; E784-F956 HydrophobicContact CG-CE2 4.29Å; E784-F956 WeakPolarHBondContact OE1-CD2 3.37Å; L788-F956 HydrophobicContact CD1-CD1 4.36Å; L788-F956 HydrophobicContact CD1-CD2 4Å; L788-F956 HydrophobicContact CD1-CE1 4.21Å; L788-F956 HydrophobicContact CD1-CE2 3.85Å; L788-F956 HydrophobicContact CD1-CG 4.27Å; L788-F956 HydrophobicContact CD1-CZ 3.96Å; E954-F956 PolarHBondContact O-N 3.09Å; F956-I958 VanDerWaalsContact C-N 3.26Å; F956-I958 PolarHBondContact O-N 3Å; F956-Y959 HydrophobicContact CD1-CD2 4.39Å; F956-Y959 HydrophobicContact CD1-CE2 4.37Å; F956-Y959 PolarHBondContact O-N 3.46Å |
| 957 | E | 82.4 | Confident | 63.6 | Low | 57 Ų | 57 | 79.6 Ų | 79.6 | 27% | 0.266 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.3 | 178.7 | -65.7 | -141.8 | 148.2 | 0 | 0 | 112.5 | G837 I838 H839 E954 Y959 | G837-E957 VanDerWaalsContact C-OE1 3.27Å; G837-E957 WeakPolarHBondContact CA-OE1 3.45Å; I838-E957 PolarHBondContact N-OE1 3.24Å; H839-E957 PolarHBondContact N-OE1 2.69Å; H839-E957 VanDerWaalsContact N-OE1 3.13Å; E954-E957 PolarHBondContact O-N 3.34Å; E957-Y959 PolarHBondContact O-N 3.45Å |
| 958 | I | 84 | Confident | 65.3 | Low | 118 Ų | 118 | 74.1 Ų | 74.1 | 61% | 0.605 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.5 | 173.2 | 67.4 | 178.7 | 0 | 0 | 0 | 112.9 | D955 F956 E960 | D955-I958 WeakPolarHBondContact O-CG1 3.22Å; F956-I958 VanDerWaalsContact C-N 3.26Å; F956-I958 PolarHBondContact O-N 3Å; I958-E960 PolarHBondContact O-N 3.27Å; I958-E960 VanDerWaalsContact O-N 3.15Å |
| 959 | Y | 88.8 | Confident | 67.2 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 5% | 0.051 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -89.6 | 71.9 | 179.1 | -56.7 | -66.2 | 0 | 0 | 0 | 111.1 | M707 P708 Y711 Y745 K748 F956 E957 | M707-Y959 HydrophobicContact CE-CD1 4.15Å; M707-Y959 HydrophobicContact CE-CD2 4.39Å; M707-Y959 HydrophobicContact CE-CE1 4.33Å; M707-Y959 HydrophobicContact CE-CG 4.18Å; M707-Y959 HydrophobicContact CG-CE1 3.97Å; M707-Y959 HydrophobicContact CG-CE2 4.19Å; P708-Y959 HydrophobicContact CG-CE1 4.45Å; Y711-Y959 HydrophobicContact CD1-CD1 4.29Å; Y711-Y959 AromaticContact CD2-CD1 3.84Å; Y711-Y959 HydrophobicContact CD2-CD1 3.84Å; Y711-Y959 HydrophobicContact CD2-CG 4.33Å; Y711-Y959 HydrophobicContact CE2-CD1 4.38Å; Y711-Y959 AromaticContact CG-CD1 3.79Å; Y711-Y959 HydrophobicContact CG-CD1 3.79Å; Y745-Y959 HydrophobicContact CD1-CE2 4.06Å; Y745-Y959 AromaticContact CE1-CE2 3.97Å; Y745-Y959 HydrophobicContact CE1-CE2 3.97Å; K748-Y959 HydrophobicContact CG-CD2 4.1Å; F956-Y959 HydrophobicContact CD1-CD2 4.39Å; F956-Y959 HydrophobicContact CD1-CE2 4.37Å; F956-Y959 PolarHBondContact O-N 3.46Å; E957-Y959 PolarHBondContact O-N 3.45Å |
| 960 | E | 87.3 | Confident | 69.3 | Low | 94 Ų | 94 | 70.5 Ų | 70.5 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | trans | -57.8 | 140.8 | -179.6 | -66.2 | -173.1 | 169.8 | 0 | 0 | 112.3 | Y711 I958 D964 | Y711-E960 WeakPolarHBondContact CE2-O 3.49Å; Y711-E960 PolarHBondContact OH-N 3.15Å; Y711-E960 PolarHBondContact OH-O 3.16Å; I958-E960 PolarHBondContact O-N 3.27Å; I958-E960 VanDerWaalsContact O-N 3.15Å; E960-D964 HydrophobicContact CB-CB 4.38Å | ||
| 961 | T | 89.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -112.4 | 179.8 | 174.6 | 73.3 | 0 | 0 | 0 | 0 | 110.7 | V752 L755 H839 I963 D964 | V752-T961 HydrophobicContact CG2-CG2 3.94Å; L755-T961 HydrophobicContact CD1-CG2 4Å; H839-T961 PolarHBondContact CE1-OG1 3.34Å; T961-I963 PolarHBondContact O-N 3.37Å; T961-I963 VanDerWaalsContact O-N 3.14Å; T961-I963 WeakPolarHBondContact OG1-CG1 3.39Å; T961-I963 PolarHBondContact OG1-N 3.31Å; T961-D964 WeakPolarHBondContact CA-OD2 3.21Å; T961-D964 WeakPolarHBondContact CB-OD2 3.36Å; T961-D964 PolarHBondContact N-OD2 3.4Å; T961-D964 PolarHBondContact O-N 3.04Å; T961-D964 VanDerWaalsContact O-N 3.12Å; T961-D964 PolarHBondContact OG1-OD2 3.27Å | ||
| 962 | V | 85.8 | Confident | 74.6 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 22% | 0.218 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.3 | 177.3 | -137.4 | 0 | 0 | 0 | 0 | 112.9 | L755 C968 | L755-V962 HydrophobicContact CB-CG2 4.25Å; L755-V962 WeakPolarHBondContact O-CG2 3.21Å; V962-C968 PolarHBondContact O-SG 3.18Å |
| 963 | I | 86.4 | Confident | 77.4 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -15.5 | 179.4 | 82.2 | -165.5 | 0 | 0 | 0 | 112.9 | L755 K842 M843 F846 T961 F970 | L755-I963 HydrophobicContact CD1-CD1 4.24Å; L755-I963 HydrophobicContact CD1-CG2 4.32Å; L755-I963 HydrophobicContact CD2-CG2 4.43Å; K842-I963 HydrophobicContact CB-CD1 4.35Å; M843-I963 HydrophobicContact CB-CD1 4.09Å; M843-I963 HydrophobicContact SD-CD1 3.69Å; F846-I963 HydrophobicContact CD2-CB 4.23Å; F846-I963 HydrophobicContact CD2-CD1 4.27Å; F846-I963 HydrophobicContact CD2-CG2 4.35Å; F846-I963 HydrophobicContact CE2-CB 3.87Å; F846-I963 HydrophobicContact CE2-CG1 4.37Å; F846-I963 HydrophobicContact CE2-CG2 4.39Å; T961-I963 PolarHBondContact O-N 3.37Å; T961-I963 VanDerWaalsContact O-N 3.14Å; T961-I963 WeakPolarHBondContact OG1-CG1 3.39Å; T961-I963 PolarHBondContact OG1-N 3.31Å; I963-F970 HydrophobicContact CB-CB 4.39Å; I963-F970 HydrophobicContact CG2-CD1 4.2Å; I963-F970 HydrophobicContact CG2-CE1 4.48Å; I963-F970 HydrophobicContact CG2-CG 4.31Å |
| 964 | D | 86.3 | Confident | 79.4 | Confident | 31 Ų | 31 | 55 Ų | 55 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -30.3 | -177.3 | -54.2 | -57.3 | 0 | 0 | 0 | 111.5 | H839 E960 T961 | H839-D964 IonicContact CE1-OD1 3.97Å; H839-D964 IonicContact CE1-OD2 3.21Å; H839-D964 PolarHBondContact CE1-OD2 2.93Å; H839-D964 VanDerWaalsContact CE1-OD2 3.3Å; H839-D964 IonicContact CG-OD1 3.57Å; H839-D964 IonicContact ND1-OD1 3.13Å; H839-D964 PolarHBondContact ND1-OD1 3.34Å; H839-D964 IonicContact ND1-OD2 3.7Å; H839-D964 PolarHBondContact ND1-OD2 3.16Å; E960-D964 HydrophobicContact CB-CB 4.38Å; T961-D964 WeakPolarHBondContact CA-OD2 3.21Å; T961-D964 WeakPolarHBondContact CB-OD2 3.36Å; T961-D964 PolarHBondContact N-OD2 3.4Å; T961-D964 PolarHBondContact O-N 3.04Å; T961-D964 VanDerWaalsContact O-N 3.12Å; T961-D964 PolarHBondContact OG1-OD2 3.27Å |
| 965 | K | 79.5 | Confident | 80.9 | Confident | 91 Ų | 91 | 52 Ų | 52 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -66.2 | 131.3 | -178.2 | -65.6 | -178.3 | -179.2 | -176.6 | 0 | 112.2 | C968 | K965-C968 PolarHBondContact O-SG 3.04Š|
| 966 | E | 68.2 | Low | 82 | Confident | 200 Ų | 200 | 47 Ų | 47 | 94% | 0.935 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 141.9 | 176.1 | -61.6 | -164.6 | 152.9 | 0 | 0 | 112.4 | C968 | E966-C968 VanDerWaalsContact C-N 3.3Å; E966-C968 PolarHBondContact O-N 3.24Å |
| 967 | G | 62.2 | Low | 82.4 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 71% | 0.711 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -0.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | G969 | G967-G969 PolarHBondContact O-N 3.05Š|
| 968 | C | 60.7 | Low | 82.8 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -77.2 | -0.7 | 176.7 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | V962 K965 E966 | V962-C968 PolarHBondContact O-SG 3.18Å; K965-C968 PolarHBondContact O-SG 3.04Å; E966-C968 VanDerWaalsContact C-N 3.3Å; E966-C968 PolarHBondContact O-N 3.24Å |
| 969 | G | 64.9 | Low | 83.3 | Confident | 66 Ų | 66 | 42.3 Ų | 42.3 | 68% | 0.68 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 94.5 | -1.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G967 | G967-G969 PolarHBondContact O-N 3.05Š|
| 970 | F | 71.4 | Confident | 83.4 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 23% | 0.228 | 24% | 0.244 | C | C | . | . | trans | -100 | 69.2 | 176.5 | -72.4 | -85.5 | 0 | 0 | 0 | 112.1 | F846 I963 | F846-F970 HydrophobicContact CE1-CD1 4.31Å; F846-F970 HydrophobicContact CE2-CB 4.44Å; F846-F970 HydrophobicContact CZ-CB 4Å; F846-F970 HydrophobicContact CZ-CD1 4.28Å; I963-F970 HydrophobicContact CB-CB 4.39Å; I963-F970 HydrophobicContact CG2-CD1 4.2Å; I963-F970 HydrophobicContact CG2-CE1 4.48Å; I963-F970 HydrophobicContact CG2-CG 4.31Å | ||
| 971 | D | 87 | Confident | 83.6 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | trans | -90.4 | 122.3 | 168.9 | -177.4 | -91.5 | 0 | 0 | 0 | 110.3 | Y973 V974 T975 K1016 | D971-Y973 VanDerWaalsContact C-N 3.35Å; D971-Y973 PolarHBondContact O-N 3.39Å; D971-Y973 PolarHBondContact OD1-N 3.05Å; D971-Y973 VanDerWaalsContact OD1-N 3.13Å; D971-V974 HydrophobicContact CB-CB 4.02Å; D971-V974 HydrophobicContact CB-CG2 4.17Å; D971-V974 PolarHBondContact O-N 3.34Å; D971-V974 WeakPolarHBondContact OD1-CB 3.41Å; D971-V974 VanDerWaalsContact OD1-CG2 3.27Å; D971-V974 WeakPolarHBondContact OD1-CG2 3.34Å; D971-V974 PolarHBondContact OD1-N 2.94Å; D971-T975 WeakPolarHBondContact O-CB 3.48Å; D971-T975 PolarHBondContact O-N 2.95Å; D971-T975 PolarHBondContact O-OG1 3.4Å; D971-K1016 WeakPolarHBondContact OD2-CD 3.49Å; D971-K1016 IonicContact OD2-NZ 3.88Å; D971-K1016 PolarHBondContact OD2-NZ 3.45Å | ||
| 972 | E | 90 | Very high | 83.7 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -38.4 | -173.8 | 64.8 | -77.2 | 175.4 | 0 | 0 | 113.1 | K842 L845 F846 F876 L879 Y883 F976 K1016 | K842-E972 WeakPolarHBondContact CE-OE2 3.08Å; K842-E972 HydrophobicContact CG-CB 4.37Å; K842-E972 HydrophobicContact CG-CG 4.48Å; K842-E972 IonicContact NZ-OE2 3.6Å; L845-E972 HydrophobicContact CD2-CB 3.67Å; F846-E972 HydrophobicContact CZ-CB 4.08Å; F876-E972 HydrophobicContact CE1-CG 4.32Å; L879-E972 HydrophobicContact CD1-CG 4.24Å; Y883-E972 WeakPolarHBondContact CE2-OE1 3.39Å; Y883-E972 VanDerWaalsContact OH-CD 3.27Å; Y883-E972 PolarHBondContact OH-OE1 3.42Å; E972-F976 VanDerWaalsContact O-CB 3.29Å; E972-F976 WeakPolarHBondContact O-CB 3.35Å; E972-F976 PolarHBondContact O-N 3.42Å; E972-K1016 IonicContact OE1-NZ 3.31Å; E972-K1016 PolarHBondContact OE1-NZ 3.13Å; E972-K1016 IonicContact OE2-NZ 3.71Å |
| 973 | Y | 91.5 | Very high | 84 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.1 | -46.8 | -179.8 | -68.2 | -87.4 | 0 | 0 | 0 | 111.2 | F876 Y883 D971 K977 V1009 L1012 A1013 K1016 | F876-Y973 AromaticContact CD1-CD1 3.8Å; F876-Y973 HydrophobicContact CD1-CD1 3.8Å; F876-Y973 AromaticContact CD1-CE1 3.38Å; F876-Y973 HydrophobicContact CD1-CE1 3.38Å; F876-Y973 AromaticContact CD1-CZ 3.8Å; F876-Y973 AromaticContact CE1-CD1 3.56Å; F876-Y973 HydrophobicContact CE1-CD1 3.56Å; F876-Y973 HydrophobicContact CE1-CD2 4.44Å; F876-Y973 AromaticContact CE1-CE1 3.66Å; F876-Y973 HydrophobicContact CE1-CE1 3.66Å; F876-Y973 AromaticContact CE1-CG 3.96Å; F876-Y973 HydrophobicContact CE1-CG 3.96Å; F876-Y973 HydrophobicContact CG-CE1 4.29Å; F876-Y973 HydrophobicContact CZ-CD1 4.37Å; Y883-Y973 HydrophobicContact CE2-CE2 4.15Å; D971-Y973 VanDerWaalsContact C-N 3.35Å; D971-Y973 PolarHBondContact O-N 3.39Å; D971-Y973 PolarHBondContact OD1-N 3.05Å; D971-Y973 VanDerWaalsContact OD1-N 3.13Å; Y973-K977 WeakPolarHBondContact O-CB 3.18Å; Y973-K977 PolarHBondContact O-N 2.82Å; Y973-V1009 HydrophobicContact CD1-CG1 3.97Å; Y973-L1012 HydrophobicContact CD1-CB 3.79Å; Y973-L1012 HydrophobicContact CD1-CD1 4.28Å; Y973-L1012 HydrophobicContact CE1-CB 3.98Å; Y973-L1012 HydrophobicContact CE1-CD1 3.62Å; Y973-L1012 HydrophobicContact CE1-CG 4.46Å; Y973-L1012 HydrophobicContact CG-CB 4.32Å; Y973-A1013 WeakPolarHBondContact O-CB 3.33Å; Y973-K1016 HydrophobicContact CD2-CD 4.07Å |
| 974 | V | 90.1 | Very high | 84.2 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | D971 F976 K977 D978 R1017 | D971-V974 HydrophobicContact CB-CB 4.02Å; D971-V974 HydrophobicContact CB-CG2 4.17Å; D971-V974 PolarHBondContact O-N 3.34Å; D971-V974 WeakPolarHBondContact OD1-CB 3.41Å; D971-V974 VanDerWaalsContact OD1-CG2 3.27Å; D971-V974 WeakPolarHBondContact OD1-CG2 3.34Å; D971-V974 PolarHBondContact OD1-N 2.94Å; V974-F976 PolarHBondContact O-N 3.18Å; V974-K977 PolarHBondContact O-N 3.47Å; V974-D978 WeakPolarHBondContact O-CB 3.27Å; V974-D978 PolarHBondContact O-N 2.85Å; V974-R1017 HydrophobicContact CG2-CB 4.15Å |
| 975 | T | 89.2 | Confident | 84.5 | Confident | 39 Ų | 39 | 51 Ų | 51 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 180 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | F846 D971 D978 M979 | F846-T975 HydrophobicContact CD1-CG2 4.02Å; F846-T975 HydrophobicContact CE1-CG2 3.93Å; D971-T975 WeakPolarHBondContact O-CB 3.48Å; D971-T975 PolarHBondContact O-N 2.95Å; D971-T975 PolarHBondContact O-OG1 3.4Å; T975-D978 PolarHBondContact O-N 3.49Å; T975-M979 VanDerWaalsContact O-CB 3.24Å; T975-M979 WeakPolarHBondContact O-CB 3.41Å; T975-M979 PolarHBondContact O-N 2.75Å |
| 976 | F | 93.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 177 | 175.9 | -98 | 0 | 0 | 0 | 112.1 | L845 I869 C872 F876 E972 V974 M979 L980 L1006 V1009 F1010 | L845-F976 HydrophobicContact CD1-CD2 4.39Å; I869-F976 HydrophobicContact CD1-CE2 4.14Å; I869-F976 HydrophobicContact CD1-CZ 4.22Å; C872-F976 HydrophobicContact CB-CD2 4.21Å; C872-F976 HydrophobicContact CB-CE2 3.57Å; C872-F976 HydrophobicContact CB-CZ 4.11Å; F876-F976 HydrophobicContact CE2-CB 4.05Å; F876-F976 AromaticContact CE2-CD1 3.6Å; F876-F976 HydrophobicContact CE2-CD1 3.6Å; F876-F976 AromaticContact CE2-CD2 3.99Å; F876-F976 HydrophobicContact CE2-CD2 3.99Å; F876-F976 AromaticContact CE2-CE1 3.98Å; F876-F976 HydrophobicContact CE2-CE1 3.98Å; F876-F976 HydrophobicContact CE2-CE2 4.35Å; F876-F976 AromaticContact CE2-CG 3.6Å; F876-F976 HydrophobicContact CE2-CG 3.6Å; F876-F976 HydrophobicContact CE2-CZ 4.34Å; F876-F976 HydrophobicContact CZ-CB 3.64Å; F876-F976 AromaticContact CZ-CD1 3.92Å; F876-F976 HydrophobicContact CZ-CD1 3.92Å; F876-F976 HydrophobicContact CZ-CD2 4.4Å; F876-F976 AromaticContact CZ-CG 3.73Å; F876-F976 HydrophobicContact CZ-CG 3.73Å; E972-F976 VanDerWaalsContact O-CB 3.29Å; E972-F976 WeakPolarHBondContact O-CB 3.35Å; E972-F976 PolarHBondContact O-N 3.42Å; V974-F976 PolarHBondContact O-N 3.18Å; F976-M979 HydrophobicContact CD2-CE 3.62Å; F976-M979 HydrophobicContact CE2-CE 3.76Å; F976-M979 HydrophobicContact CG-CE 4.47Å; F976-M979 WeakPolarHBondContact O-CB 3.42Å; F976-M979 PolarHBondContact O-N 3.31Å; F976-L980 HydrophobicContact CE1-CD2 4.35Å; F976-L980 HydrophobicContact CZ-CD2 4.32Å; F976-L980 WeakPolarHBondContact O-CB 3.25Å; F976-L980 PolarHBondContact O-N 3.5Å; F976-L1006 HydrophobicContact CE1-CD1 3.53Å; F976-L1006 HydrophobicContact CZ-CD1 3.79Å; F976-V1009 HydrophobicContact CD1-CG1 3.81Å; F976-V1009 HydrophobicContact CE1-CG1 4.09Å; F976-F1010 HydrophobicContact CD1-CE2 4.4Å; F976-F1010 HydrophobicContact CE1-CE2 4.09Å |
| 977 | K | 92.2 | Very high | 86.2 | Confident | 28 Ų | 28 | 44 Ų | 44 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 177.5 | 178.9 | 174.3 | -178.3 | 174.1 | 0 | 112.2 | Y973 V974 M979 L980 T981 F1010 A1013 E1014 | Y973-K977 WeakPolarHBondContact O-CB 3.18Å; Y973-K977 PolarHBondContact O-N 2.82Å; V974-K977 PolarHBondContact O-N 3.47Å; K977-M979 VanDerWaalsContact C-N 3.32Å; K977-M979 PolarHBondContact O-N 2.96Å; K977-L980 PolarHBondContact O-N 3.41Å; K977-T981 WeakPolarHBondContact O-CB 3.47Å; K977-T981 PolarHBondContact O-N 2.97Å; K977-T981 PolarHBondContact O-OG1 2.86Å; K977-F1010 HydrophobicContact CB-CE2 4.42Å; K977-F1010 HydrophobicContact CB-CZ 4.47Å; K977-F1010 HydrophobicContact CD-CD1 4.04Å; K977-F1010 HydrophobicContact CD-CE1 4.34Å; K977-F1010 HydrophobicContact CD-CG 4.27Å; K977-F1010 HydrophobicContact CG-CD1 4.03Å; K977-F1010 HydrophobicContact CG-CE1 3.85Å; K977-F1010 HydrophobicContact CG-CE2 4.35Å; K977-F1010 HydrophobicContact CG-CG 4.34Å; K977-F1010 HydrophobicContact CG-CZ 4Å; K977-A1013 HydrophobicContact CB-CB 3.98Å; K977-A1013 HydrophobicContact CD-CB 3.79Å; K977-E1014 IonicContact NZ-OE1 2.75Å; K977-E1014 PolarHBondContact NZ-OE1 3.09Å |
| 978 | D | 91.3 | Very high | 87.6 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 179.8 | -77.4 | -6.3 | 0 | 0 | 0 | 110.6 | V974 T975 T982 R1017 | V974-D978 WeakPolarHBondContact O-CB 3.27Å; V974-D978 PolarHBondContact O-N 2.85Å; T975-D978 PolarHBondContact O-N 3.49Å; D978-T982 WeakPolarHBondContact O-CB 3.47Å; D978-T982 PolarHBondContact O-N 2.92Å; D978-T982 PolarHBondContact O-OG1 3.1Å; D978-R1017 IonicContact OD1-CZ 3.84Å; D978-R1017 IonicContact OD1-NH1 2.64Å; D978-R1017 PolarHBondContact OD1-NH1 3.25Å; D978-R1017 IonicContact OD1-NH2 3.67Å; D978-R1017 PolarHBondContact OD1-NH2 2.91Å; D978-R1017 IonicContact OD2-CZ 2.73Å; D978-R1017 IonicContact OD2-NH1 3.64Å; D978-R1017 IonicContact OD2-NH2 3.56Å; D978-R1017 PolarHBondContact OD2-NH2 3.44Å |
| 979 | M | 92.8 | Very high | 89 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.4 | -54.4 | 172.1 | 175 | -83.9 | -68.6 | 0 | 0 | 111.2 | C849 A852 Q853 T975 F976 K977 T981 T982 L983 | C849-M979 HydrophobicContact CB-CE 4.32Å; C849-M979 HydrophobicContact CB-CG 4.38Å; A852-M979 HydrophobicContact CB-SD 4.12Å; Q853-M979 VanDerWaalsContact CD-CG 3.45Å; Q853-M979 HydrophobicContact CG-CB 4.32Å; Q853-M979 HydrophobicContact CG-CG 3.36Å; T975-M979 VanDerWaalsContact O-CB 3.24Å; T975-M979 WeakPolarHBondContact O-CB 3.41Å; T975-M979 PolarHBondContact O-N 2.75Å; F976-M979 HydrophobicContact CD2-CE 3.62Å; F976-M979 HydrophobicContact CE2-CE 3.76Å; F976-M979 HydrophobicContact CG-CE 4.47Å; F976-M979 WeakPolarHBondContact O-CB 3.42Å; F976-M979 PolarHBondContact O-N 3.31Å; K977-M979 VanDerWaalsContact C-N 3.32Å; K977-M979 PolarHBondContact O-N 2.96Å; M979-T981 PolarHBondContact O-N 3.5Å; M979-T982 PolarHBondContact O-N 3.33Å; M979-L983 HydrophobicContact CG-CD1 4.42Å; M979-L983 WeakPolarHBondContact O-CG 3.4Å; M979-L983 PolarHBondContact O-N 3.49Å; M979-L983 HydrophobicContact SD-CD1 3.47Å; M979-L983 WeakPolarHBondContact SD-CD1 3.22Å; M979-L983 HydrophobicContact SD-CG 4.18Å |
| 980 | L | 92.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | -173.3 | -167.2 | 62.5 | 0 | 0 | 0 | 111.9 | I869 F976 K977 L983 Q984 Y991 V995 L1006 F1010 | I869-L980 HydrophobicContact CD1-CD1 4.03Å; F976-L980 HydrophobicContact CE1-CD2 4.35Å; F976-L980 HydrophobicContact CZ-CD2 4.32Å; F976-L980 WeakPolarHBondContact O-CB 3.25Å; F976-L980 PolarHBondContact O-N 3.5Å; K977-L980 PolarHBondContact O-N 3.41Å; L980-L983 PolarHBondContact O-N 2.93Å; L980-Q984 PolarHBondContact O-N 2.88Å; L980-Y991 HydrophobicContact CD1-CD2 3.84Å; L980-Y991 HydrophobicContact CD1-CE2 3.81Å; L980-Y991 HydrophobicContact CD2-CE2 4.44Å; L980-Y991 HydrophobicContact CG-CD2 4.26Å; L980-Y991 HydrophobicContact CG-CE2 3.83Å; L980-V995 HydrophobicContact CD1-CG2 4.28Å; L980-L1006 HydrophobicContact CD2-CD1 4.22Å; L980-L1006 HydrophobicContact CD2-CD2 4.32Å; L980-F1010 HydrophobicContact CB-CZ 4.22Å; L980-F1010 HydrophobicContact CD2-CE2 3.85Å; L980-F1010 HydrophobicContact CD2-CZ 3.76Å; L980-F1010 HydrophobicContact CG-CZ 4.35Å |
| 981 | T | 91.3 | Very high | 91.3 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 175.3 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | K977 M979 Q984 Q985 | K977-T981 WeakPolarHBondContact O-CB 3.47Å; K977-T981 PolarHBondContact O-N 2.97Å; K977-T981 PolarHBondContact O-OG1 2.86Å; M979-T981 PolarHBondContact O-N 3.5Å; T981-Q984 PolarHBondContact O-N 3.28Å; T981-Q985 PolarHBondContact O-N 2.96Å |
| 982 | T | 91.7 | Very high | 91.6 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 111 | D978 M979 Q985 R986 | D978-T982 WeakPolarHBondContact O-CB 3.47Å; D978-T982 PolarHBondContact O-N 2.92Å; D978-T982 PolarHBondContact O-OG1 3.1Å; M979-T982 PolarHBondContact O-N 3.33Å; T982-Q985 PolarHBondContact O-N 3.39Å; T982-R986 WeakPolarHBondContact O-CB 3.34Å; T982-R986 PolarHBondContact O-N 3.03Å |
| 983 | L | 91.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.7 | -73.6 | -176.5 | 0 | 0 | 0 | 112.2 | A852 M979 L980 Q985 R986 D987 L994 | A852-L983 HydrophobicContact CB-CD1 4.27Å; M979-L983 HydrophobicContact CG-CD1 4.42Å; M979-L983 WeakPolarHBondContact O-CG 3.4Å; M979-L983 PolarHBondContact O-N 3.49Å; M979-L983 HydrophobicContact SD-CD1 3.47Å; M979-L983 WeakPolarHBondContact SD-CD1 3.22Å; M979-L983 HydrophobicContact SD-CG 4.18Å; L980-L983 PolarHBondContact O-N 2.93Å; L983-Q985 PolarHBondContact O-N 3.38Å; L983-R986 PolarHBondContact O-N 3.06Å; L983-D987 CarbonylContact O-C 3.2Å; L983-D987 WeakPolarHBondContact O-CA 3.44Å; L983-D987 PolarHBondContact O-N 2.72Å; L983-L994 HydrophobicContact CD1-CD1 3.72Å |
| 984 | Q | 91.2 | Very high | 91.7 | Very high | 95 Ų | 95 | 50.7 Ų | 50.7 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.7 | -37.1 | 176.6 | -169.6 | -179 | 37 | 0 | 0 | 112.4 | L980 T981 P988 Y991 | L980-Q984 PolarHBondContact O-N 2.88Å; T981-Q984 PolarHBondContact O-N 3.28Å; Q984-P988 WeakPolarHBondContact O-CG 3.35Å; Q984-Y991 HydrophobicContact CB-CD1 4.28Å; Q984-Y991 HydrophobicContact CB-CD2 3.7Å; Q984-Y991 HydrophobicContact CB-CE1 4.46Å; Q984-Y991 HydrophobicContact CB-CE2 3.9Å; Q984-Y991 HydrophobicContact CB-CG 3.91Å; Q984-Y991 HydrophobicContact CG-CD1 3.95Å; Q984-Y991 HydrophobicContact CG-CD2 4.22Å; Q984-Y991 HydrophobicContact CG-CE1 3.92Å; Q984-Y991 HydrophobicContact CG-CE2 4.18Å; Q984-Y991 HydrophobicContact CG-CG 4.1Å |
| 985 | Q | 91 | Very high | 91.8 | Very high | 155 Ų | 155 | 51 Ų | 51 | 72% | 0.724 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -81.4 | -41.4 | 178.7 | -65.1 | 177.2 | 10.3 | 0 | 0 | 112.6 | T981 T982 L983 | T981-Q985 PolarHBondContact O-N 2.96Å; T982-Q985 PolarHBondContact O-N 3.39Å; L983-Q985 PolarHBondContact O-N 3.38Å |
| 986 | R | 91.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 40% | 0.4 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -82.6 | -40.6 | -171.2 | -171.2 | -177.5 | 76 | -179.4 | 8.7 | 113.1 | Q853 T982 L983 | Q853-R986 PolarHBondContact O-NH2 3.04Å; T982-R986 WeakPolarHBondContact O-CB 3.34Å; T982-R986 PolarHBondContact O-N 3.03Å; L983-R986 PolarHBondContact O-N 3.06Å |
| 987 | D | 92 | Very high | 91.3 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | trans | -144.1 | 77.2 | -176.9 | -171.7 | -10 | 0 | 0 | 0 | 110.1 | R857 L983 H989 W990 Y991 | R857-D987 IonicContact CZ-OD2 3.36Å; R857-D987 IonicContact NH1-OD2 2.87Å; R857-D987 PolarHBondContact NH1-OD2 2.75Å; R857-D987 IonicContact NH2-OD2 2.88Å; R857-D987 PolarHBondContact NH2-OD2 2.87Å; L983-D987 CarbonylContact O-C 3.2Å; L983-D987 WeakPolarHBondContact O-CA 3.44Å; L983-D987 PolarHBondContact O-N 2.72Å; D987-H989 PolarHBondContact O-N 3.36Å; D987-W990 HydrophobicContact CB-CB 3.99Å; D987-W990 PolarHBondContact O-N 3.07Å; D987-W990 VanDerWaalsContact O-N 3.16Å; D987-W990 WeakPolarHBondContact OD1-CB 3.03Å; D987-W990 PolarHBondContact OD1-N 3.49Å; D987-W990 WeakPolarHBondContact OD2-CB 3.49Å; D987-Y991 PolarHBondContact O-N 3.21Å | ||
| 988 | P | 90.8 | Very high | 91.2 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59 | -30.9 | -177.1 | -22.3 | 30.5 | 0 | 0 | 0 | 113.4 | Q984 L992 | Q984-P988 WeakPolarHBondContact O-CG 3.35Å; P988-L992 WeakPolarHBondContact O-CB 3.43Å; P988-L992 VanDerWaalsContact O-CG 3.29Å; P988-L992 WeakPolarHBondContact O-CG 3.35Å; P988-L992 PolarHBondContact O-N 2.69Å |
| 989 | H | 91.2 | Very high | 91.2 | Very high | 161 Ų | 161 | 56.2 Ų | 56.2 | 75% | 0.745 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.4 | -43.8 | 178.2 | -73 | -65.8 | 0 | 0 | 0 | 111.5 | D987 L992 A993 | D987-H989 PolarHBondContact O-N 3.36Å; H989-L992 PolarHBondContact O-N 2.91Å; H989-A993 PolarHBondContact O-N 3.32Å |
| 990 | W | 93 | Very high | 91 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 174.3 | 179.3 | -125.5 | 0 | 0 | 0 | 112.4 | A852 R857 I861 A865 I868 D987 L992 A993 L994 | A852-W990 PolarHBondContact O-NE1 3.44Å; R857-W990 VanDerWaalsContact CZ-CG 3.47Å; R857-W990 VanDerWaalsContact NH1-CD1 3.33Å; I861-W990 HydrophobicContact CG2-CH2 4.03Å; I861-W990 HydrophobicContact CG2-CZ2 4.05Å; A865-W990 HydrophobicContact CB-CH2 3.44Å; A865-W990 VanDerWaalsContact CB-CH2 3.44Å; A865-W990 HydrophobicContact CB-CZ3 3.46Å; A865-W990 VanDerWaalsContact CB-CZ3 3.46Å; I868-W990 HydrophobicContact CD1-CZ2 4.47Å; D987-W990 HydrophobicContact CB-CB 3.99Å; D987-W990 PolarHBondContact O-N 3.07Å; D987-W990 VanDerWaalsContact O-N 3.16Å; D987-W990 WeakPolarHBondContact OD1-CB 3.03Å; D987-W990 PolarHBondContact OD1-N 3.49Å; D987-W990 WeakPolarHBondContact OD2-CB 3.49Å; W990-L992 VanDerWaalsContact C-N 3.28Å; W990-L992 PolarHBondContact O-N 3.09Å; W990-A993 HydrophobicContact CE3-CB 3.98Å; W990-A993 HydrophobicContact CZ3-CB 4.29Å; W990-A993 WeakPolarHBondContact O-CA 3.39Å; W990-A993 WeakPolarHBondContact O-CB 3.49Å; W990-A993 PolarHBondContact O-N 3.16Å; W990-L994 HydrophobicContact CD2-CD1 4.44Å; W990-L994 HydrophobicContact CD2-CG 4.19Å; W990-L994 HydrophobicContact CH2-CD2 3.94Å; W990-L994 HydrophobicContact CZ2-CD1 4.32Å; W990-L994 HydrophobicContact CZ2-CD2 3.55Å; W990-L994 HydrophobicContact CZ2-CG 4.02Å; W990-L994 WeakPolarHBondContact O-CG 3.38Å; W990-L994 PolarHBondContact O-N 3.44Å |
| 991 | Y | 92 | Very high | 90.9 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 18% | 0.184 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.1 | -47.5 | 172.4 | 170.7 | -94.1 | 0 | 0 | 0 | 111.2 | L980 Q984 D987 A993 L994 V995 | L980-Y991 HydrophobicContact CD1-CD2 3.84Å; L980-Y991 HydrophobicContact CD1-CE2 3.81Å; L980-Y991 HydrophobicContact CD2-CE2 4.44Å; L980-Y991 HydrophobicContact CG-CD2 4.26Å; L980-Y991 HydrophobicContact CG-CE2 3.83Å; Q984-Y991 HydrophobicContact CB-CD1 4.28Å; Q984-Y991 HydrophobicContact CB-CD2 3.7Å; Q984-Y991 HydrophobicContact CB-CE1 4.46Å; Q984-Y991 HydrophobicContact CB-CE2 3.9Å; Q984-Y991 HydrophobicContact CB-CG 3.91Å; Q984-Y991 HydrophobicContact CG-CD1 3.95Å; Q984-Y991 HydrophobicContact CG-CD2 4.22Å; Q984-Y991 HydrophobicContact CG-CE1 3.92Å; Q984-Y991 HydrophobicContact CG-CE2 4.18Å; Q984-Y991 HydrophobicContact CG-CG 4.1Å; D987-Y991 PolarHBondContact O-N 3.21Å; Y991-A993 VanDerWaalsContact C-N 3.33Å; Y991-A993 PolarHBondContact O-N 3.23Å; Y991-L994 PolarHBondContact O-N 2.99Å; Y991-V995 HydrophobicContact CD2-CG2 4.15Å; Y991-V995 HydrophobicContact CE1-CG2 4.45Å; Y991-V995 HydrophobicContact CE2-CG2 3.84Å; Y991-V995 VanDerWaalsContact O-CG2 3.27Å; Y991-V995 WeakPolarHBondContact O-CG2 3.13Å; Y991-V995 PolarHBondContact O-N 2.95Å; Y991-V995 VanDerWaalsContact O-N 3.12Å |
| 992 | L | 92.2 | Very high | 90.9 | Very high | 104 Ų | 104 | 65.5 Ų | 65.5 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 175.6 | -74.9 | 170.6 | 0 | 0 | 0 | 112.5 | P988 H989 W990 L994 V995 S996 | P988-L992 WeakPolarHBondContact O-CB 3.43Å; P988-L992 VanDerWaalsContact O-CG 3.29Å; P988-L992 WeakPolarHBondContact O-CG 3.35Å; P988-L992 PolarHBondContact O-N 2.69Å; H989-L992 PolarHBondContact O-N 2.91Å; W990-L992 VanDerWaalsContact C-N 3.28Å; W990-L992 PolarHBondContact O-N 3.09Å; L992-L994 VanDerWaalsContact C-N 3.3Å; L992-L994 PolarHBondContact O-N 3.37Å; L992-V995 PolarHBondContact O-N 2.84Å; L992-S996 WeakPolarHBondContact O-CA 3.47Å; L992-S996 WeakPolarHBondContact O-CB 3.26Å; L992-S996 PolarHBondContact O-N 2.97Å; L992-S996 PolarHBondContact O-OG 3.32Å |
| 993 | A | 91.7 | Very high | 90.8 | Very high | 34 Ų | 34 | 65.3 Ų | 65.3 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H989 W990 Y991 | H989-A993 PolarHBondContact O-N 3.32Å; W990-A993 HydrophobicContact CE3-CB 3.98Å; W990-A993 HydrophobicContact CZ3-CB 4.29Å; W990-A993 WeakPolarHBondContact O-CA 3.39Å; W990-A993 WeakPolarHBondContact O-CB 3.49Å; W990-A993 PolarHBondContact O-N 3.16Å; Y991-A993 VanDerWaalsContact C-N 3.33Å; Y991-A993 PolarHBondContact O-N 3.23Å |
| 994 | L | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.6 | -37.4 | 178.1 | -69.7 | 177.2 | 0 | 0 | 0 | 113.2 | A865 I868 I869 L983 W990 Y991 L992 | A865-L994 HydrophobicContact CB-CD2 4.39Å; A865-L994 WeakPolarHBondContact O-CD2 3.13Å; I868-L994 HydrophobicContact CB-CD2 4.13Å; I868-L994 HydrophobicContact CD1-CD2 3.94Å; I868-L994 HydrophobicContact CG2-CD2 4.49Å; I869-L994 HydrophobicContact CD1-CB 4.42Å; I869-L994 HydrophobicContact CG1-CB 3.83Å; I869-L994 WeakPolarHBondContact CG1-O 3.49Å; L983-L994 HydrophobicContact CD1-CD1 3.72Å; W990-L994 HydrophobicContact CD2-CD1 4.44Å; W990-L994 HydrophobicContact CD2-CG 4.19Å; W990-L994 HydrophobicContact CH2-CD2 3.94Å; W990-L994 HydrophobicContact CZ2-CD1 4.32Å; W990-L994 HydrophobicContact CZ2-CD2 3.55Å; W990-L994 HydrophobicContact CZ2-CG 4.02Å; W990-L994 WeakPolarHBondContact O-CG 3.38Å; W990-L994 PolarHBondContact O-N 3.44Å; Y991-L994 PolarHBondContact O-N 2.99Å; L992-L994 VanDerWaalsContact C-N 3.3Å; L992-L994 PolarHBondContact O-N 3.37Å |
| 995 | V | 91.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 69 Ų | 69 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -103.3 | -19.9 | -168.7 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | L980 Y991 L992 G997 L998 | L980-V995 HydrophobicContact CD1-CG2 4.28Å; Y991-V995 HydrophobicContact CD2-CG2 4.15Å; Y991-V995 HydrophobicContact CE1-CG2 4.45Å; Y991-V995 HydrophobicContact CE2-CG2 3.84Å; Y991-V995 VanDerWaalsContact O-CG2 3.27Å; Y991-V995 WeakPolarHBondContact O-CG2 3.13Å; Y991-V995 PolarHBondContact O-N 2.95Å; Y991-V995 VanDerWaalsContact O-N 3.12Å; L992-V995 PolarHBondContact O-N 2.84Å; V995-G997 PolarHBondContact O-N 2.81Å; V995-L998 HydrophobicContact CG1-CD1 3.62Å; V995-L998 HydrophobicContact CG1-CG 4.28Å; V995-L998 WeakPolarHBondContact O-CG 3.38Å; V995-L998 PolarHBondContact O-N 3.05Å |
| 996 | S | 87.6 | Confident | 90.7 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.6 | -174.9 | 56.9 | 0 | 0 | 0 | 0 | 115.9 | L992 | L992-S996 WeakPolarHBondContact O-CA 3.47Å; L992-S996 WeakPolarHBondContact O-CB 3.26Å; L992-S996 PolarHBondContact O-N 2.97Å; L992-S996 PolarHBondContact O-OG 3.32Å |
| 997 | G | 84.5 | Confident | 90.6 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -2.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | V995 | V995-G997 PolarHBondContact O-N 2.81Š|
| 998 | L | 90.2 | Very high | 90.6 | Very high | 19 Ų | 19 | 66.6 Ų | 66.6 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | trans | -74.7 | 134.6 | -174 | -60.5 | -176.5 | 0 | 0 | 0 | 112.2 | I869 P870 I873 V995 Q1002 N1003 L1006 | I869-L998 HydrophobicContact CB-CD2 4.25Å; I869-L998 HydrophobicContact CG2-CD1 3.87Å; I869-L998 HydrophobicContact CG2-CD2 4.02Å; I869-L998 HydrophobicContact CG2-CG 4.48Å; P870-L998 HydrophobicContact CG-CD2 3.72Å; I873-L998 HydrophobicContact CD1-CD2 4.21Å; V995-L998 HydrophobicContact CG1-CD1 3.62Å; V995-L998 HydrophobicContact CG1-CG 4.28Å; V995-L998 WeakPolarHBondContact O-CG 3.38Å; V995-L998 PolarHBondContact O-N 3.05Å; L998-Q1002 HydrophobicContact CB-CB 4.17Å; L998-Q1002 HydrophobicContact CD2-CB 4.14Å; L998-N1003 PolarHBondContact O-ND2 3.09Å; L998-L1006 HydrophobicContact CD1-CD2 3.9Å | ||
| 999 | D | 91.7 | Very high | 90.6 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | trans | -80.2 | 173.9 | 171 | 68.4 | 39.9 | 0 | 0 | 0 | 112.7 | A1001 Q1002 N1003 | D999-A1001 PolarHBondContact O-N 3.28Å; D999-A1001 WeakPolarHBondContact OD1-CA 3.24Å; D999-A1001 WeakPolarHBondContact OD1-CB 3.19Å; D999-A1001 PolarHBondContact OD1-N 3.27Å; D999-Q1002 VanDerWaalsContact N-OE1 3.1Å; D999-Q1002 PolarHBondContact O-N 3.15Å; D999-Q1002 WeakPolarHBondContact OD1-CB 3.42Å; D999-Q1002 WeakPolarHBondContact OD1-CG 3.49Å; D999-Q1002 PolarHBondContact OD1-N 3.19Å; D999-N1003 PolarHBondContact O-N 3.32Å; D999-N1003 PolarHBondContact O-ND2 2.89Å | ||
| 1000 | D | 89.4 | Confident | 90.6 | Very high | 134 Ų | 134 | 58.7 Ų | 58.7 | 72% | 0.717 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.2 | -28.2 | -178.5 | -72.8 | -21.2 | 0 | 0 | 0 | 113.3 | K1004 | D1000-K1004 WeakPolarHBondContact O-CG 3.13Å; D1000-K1004 PolarHBondContact O-N 2.85Å |
| 1001 | A | 89.4 | Confident | 90.4 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 52% | 0.521 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.9 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | D999 N1003 K1004 S1005 | D999-A1001 PolarHBondContact O-N 3.28Å; D999-A1001 WeakPolarHBondContact OD1-CA 3.24Å; D999-A1001 WeakPolarHBondContact OD1-CB 3.19Å; D999-A1001 PolarHBondContact OD1-N 3.27Å; A1001-N1003 VanDerWaalsContact C-N 3.33Å; A1001-N1003 PolarHBondContact O-N 3.1Å; A1001-K1004 WeakPolarHBondContact O-CB 3.46Å; A1001-K1004 PolarHBondContact O-N 3.2Å; A1001-K1004 VanDerWaalsContact O-N 3.12Å; A1001-S1005 PolarHBondContact O-N 3.31Å; A1001-S1005 PolarHBondContact O-OG 3.09Å |
| 1002 | Q | 91.3 | Very high | 90.1 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 176 | -71.5 | 174.6 | -22.1 | 0 | 0 | 112.2 | I873 L998 D999 K1004 S1005 L1006 | I873-Q1002 HydrophobicContact CD1-CB 3.8Å; I873-Q1002 HydrophobicContact CD1-CG 4.28Å; I873-Q1002 WeakPolarHBondContact CD1-O 3.41Å; L998-Q1002 HydrophobicContact CB-CB 4.17Å; L998-Q1002 HydrophobicContact CD2-CB 4.14Å; D999-Q1002 VanDerWaalsContact N-OE1 3.1Å; D999-Q1002 PolarHBondContact O-N 3.15Å; D999-Q1002 WeakPolarHBondContact OD1-CB 3.42Å; D999-Q1002 WeakPolarHBondContact OD1-CG 3.49Å; D999-Q1002 PolarHBondContact OD1-N 3.19Å; Q1002-K1004 VanDerWaalsContact C-N 3.32Å; Q1002-K1004 PolarHBondContact O-N 3.23Å; Q1002-S1005 PolarHBondContact O-N 2.86Å; Q1002-L1006 WeakPolarHBondContact O-CB 3.38Å; Q1002-L1006 PolarHBondContact O-N 3.25Å |
| 1003 | N | 90 | Very high | 89.9 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.4 | -78.1 | -52.3 | 0 | 0 | 0 | 112.2 | L998 D999 A1001 L1006 E1007 | L998-N1003 PolarHBondContact O-ND2 3.09Å; D999-N1003 PolarHBondContact O-N 3.32Å; D999-N1003 PolarHBondContact O-ND2 2.89Å; A1001-N1003 VanDerWaalsContact C-N 3.33Å; A1001-N1003 PolarHBondContact O-N 3.1Å; N1003-L1006 PolarHBondContact O-N 2.99Å; N1003-E1007 WeakPolarHBondContact O-CG 3.48Å; N1003-E1007 PolarHBondContact O-N 3.4Å |
| 1004 | K | 90.5 | Very high | 89.7 | Confident | 146 Ų | 146 | 61.4 Ų | 61.4 | 64% | 0.635 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 175 | -71.8 | 174.7 | -177.3 | 176.1 | 0 | 112.5 | D1000 A1001 Q1002 L1006 E1007 K1008 | D1000-K1004 WeakPolarHBondContact O-CG 3.13Å; D1000-K1004 PolarHBondContact O-N 2.85Å; A1001-K1004 WeakPolarHBondContact O-CB 3.46Å; A1001-K1004 PolarHBondContact O-N 3.2Å; A1001-K1004 VanDerWaalsContact O-N 3.12Å; Q1002-K1004 VanDerWaalsContact C-N 3.32Å; Q1002-K1004 PolarHBondContact O-N 3.23Å; K1004-L1006 VanDerWaalsContact C-N 3.27Å; K1004-L1006 PolarHBondContact O-N 3.35Å; K1004-E1007 PolarHBondContact O-N 3.3Å; K1004-K1008 PolarHBondContact O-N 2.9Å |
| 1005 | S | 90.1 | Very high | 89.2 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 19% | 0.189 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 174.1 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | E877 A1001 Q1002 K1008 V1009 | E877-S1005 WeakPolarHBondContact OE1-CB 3.28Å; E877-S1005 PolarHBondContact OE1-OG 3.12Å; A1001-S1005 PolarHBondContact O-N 3.31Å; A1001-S1005 PolarHBondContact O-OG 3.09Å; Q1002-S1005 PolarHBondContact O-N 2.86Å; S1005-K1008 WeakPolarHBondContact O-CB 3.45Å; S1005-K1008 PolarHBondContact O-N 3.39Å; S1005-V1009 WeakPolarHBondContact O-CG2 3.39Å; S1005-V1009 PolarHBondContact O-N 3.42Å |
| 1006 | L | 90.9 | Very high | 88.7 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.7 | -172 | 66.5 | 0 | 0 | 0 | 112.7 | I869 I873 F976 L980 L998 Q1002 N1003 K1004 K1008 V1009 F1010 | I869-L1006 HydrophobicContact CG2-CD1 4.36Å; I873-L1006 HydrophobicContact CD1-CB 4.41Å; F976-L1006 HydrophobicContact CE1-CD1 3.53Å; F976-L1006 HydrophobicContact CZ-CD1 3.79Å; L980-L1006 HydrophobicContact CD2-CD1 4.22Å; L980-L1006 HydrophobicContact CD2-CD2 4.32Å; L998-L1006 HydrophobicContact CD1-CD2 3.9Å; Q1002-L1006 WeakPolarHBondContact O-CB 3.38Å; Q1002-L1006 PolarHBondContact O-N 3.25Å; N1003-L1006 PolarHBondContact O-N 2.99Å; K1004-L1006 VanDerWaalsContact C-N 3.27Å; K1004-L1006 PolarHBondContact O-N 3.35Å; L1006-K1008 VanDerWaalsContact C-N 3.33Å; L1006-K1008 PolarHBondContact O-N 3.01Å; L1006-V1009 PolarHBondContact O-N 3.08Å; L1006-F1010 HydrophobicContact CD1-CD2 4.38Å; L1006-F1010 HydrophobicContact CD1-CE2 4.13Å; L1006-F1010 HydrophobicContact CG-CD2 4.47Å; L1006-F1010 HydrophobicContact CG-CE2 4.41Å; L1006-F1010 WeakPolarHBondContact O-CD2 3.4Å; L1006-F1010 PolarHBondContact O-N 3.02Å |
| 1007 | E | 90.9 | Very high | 88.3 | Confident | 138 Ų | 138 | 70.6 Ų | 70.6 | 65% | 0.645 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 173.2 | -74.4 | 175.7 | 177.7 | 0 | 0 | 111.9 | N1003 K1004 F1010 L1011 | N1003-E1007 WeakPolarHBondContact O-CG 3.48Å; N1003-E1007 PolarHBondContact O-N 3.4Å; K1004-E1007 PolarHBondContact O-N 3.3Å; E1007-F1010 PolarHBondContact O-N 2.99Å; E1007-L1011 PolarHBondContact O-N 3.09Å |
| 1008 | K | 90.9 | Very high | 87.9 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.4 | -168.7 | -176.7 | -179 | -170.7 | 0 | 111.7 | K1004 S1005 L1006 F1010 L1011 L1012 | K1004-K1008 PolarHBondContact O-N 2.9Å; S1005-K1008 WeakPolarHBondContact O-CB 3.45Å; S1005-K1008 PolarHBondContact O-N 3.39Å; L1006-K1008 VanDerWaalsContact C-N 3.33Å; L1006-K1008 PolarHBondContact O-N 3.01Å; K1008-F1010 VanDerWaalsContact C-N 3.31Å; K1008-F1010 PolarHBondContact O-N 3.01Å; K1008-L1011 WeakPolarHBondContact O-CB 3.28Å; K1008-L1011 PolarHBondContact O-N 3.11Å; K1008-L1012 HydrophobicContact CG-CD1 4.48Å; K1008-L1012 WeakPolarHBondContact O-CG 3.42Å; K1008-L1012 PolarHBondContact O-N 3.34Å |
| 1009 | V | 91.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | F876 Y973 F976 S1005 L1006 L1011 L1012 A1013 | F876-V1009 HydrophobicContact CB-CG2 3.72Å; F876-V1009 HydrophobicContact CD1-CG1 4.32Å; F876-V1009 HydrophobicContact CD1-CG2 4.25Å; F876-V1009 HydrophobicContact CD2-CB 4.34Å; F876-V1009 HydrophobicContact CD2-CG1 3.76Å; F876-V1009 HydrophobicContact CD2-CG2 3.58Å; F876-V1009 HydrophobicContact CE1-CG1 4.08Å; F876-V1009 HydrophobicContact CE2-CG1 3.49Å; F876-V1009 VanDerWaalsContact CE2-CG1 3.49Å; F876-V1009 HydrophobicContact CE2-CG2 4.22Å; F876-V1009 HydrophobicContact CG-CG1 4.17Å; F876-V1009 HydrophobicContact CG-CG2 3.6Å; F876-V1009 HydrophobicContact CZ-CG1 3.65Å; Y973-V1009 HydrophobicContact CD1-CG1 3.97Å; F976-V1009 HydrophobicContact CD1-CG1 3.81Å; F976-V1009 HydrophobicContact CE1-CG1 4.09Å; S1005-V1009 WeakPolarHBondContact O-CG2 3.39Å; S1005-V1009 PolarHBondContact O-N 3.42Å; L1006-V1009 PolarHBondContact O-N 3.08Å; V1009-L1011 VanDerWaalsContact C-N 3.34Å; V1009-L1011 PolarHBondContact O-N 3.41Å; V1009-L1012 PolarHBondContact O-N 3.4Å; V1009-A1013 WeakPolarHBondContact O-CB 3.48Å; V1009-A1013 PolarHBondContact O-N 3.5Å |
| 1010 | F | 90.8 | Very high | 85.9 | Confident | 54 Ų | 54 | 73.6 Ų | 73.6 | 24% | 0.237 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 178.4 | -92.1 | -128.6 | 0 | 0 | 0 | 113 | F976 K977 L980 L1006 E1007 K1008 E1014 | F976-F1010 HydrophobicContact CD1-CE2 4.4Å; F976-F1010 HydrophobicContact CE1-CE2 4.09Å; K977-F1010 HydrophobicContact CB-CE2 4.42Å; K977-F1010 HydrophobicContact CB-CZ 4.47Å; K977-F1010 HydrophobicContact CD-CD1 4.04Å; K977-F1010 HydrophobicContact CD-CE1 4.34Å; K977-F1010 HydrophobicContact CD-CG 4.27Å; K977-F1010 HydrophobicContact CG-CD1 4.03Å; K977-F1010 HydrophobicContact CG-CE1 3.85Å; K977-F1010 HydrophobicContact CG-CE2 4.35Å; K977-F1010 HydrophobicContact CG-CG 4.34Å; K977-F1010 HydrophobicContact CG-CZ 4Å; L980-F1010 HydrophobicContact CB-CZ 4.22Å; L980-F1010 HydrophobicContact CD2-CE2 3.85Å; L980-F1010 HydrophobicContact CD2-CZ 3.76Å; L980-F1010 HydrophobicContact CG-CZ 4.35Å; L1006-F1010 HydrophobicContact CD1-CD2 4.38Å; L1006-F1010 HydrophobicContact CD1-CE2 4.13Å; L1006-F1010 HydrophobicContact CG-CD2 4.47Å; L1006-F1010 HydrophobicContact CG-CE2 4.41Å; L1006-F1010 WeakPolarHBondContact O-CD2 3.4Å; L1006-F1010 PolarHBondContact O-N 3.02Å; E1007-F1010 PolarHBondContact O-N 2.99Å; K1008-F1010 VanDerWaalsContact C-N 3.31Å; K1008-F1010 PolarHBondContact O-N 3.01Å; F1010-E1014 WeakPolarHBondContact O-CG 3.28Å; F1010-E1014 PolarHBondContact O-N 3.4Å |
| 1011 | L | 88.9 | Confident | 84.4 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 48% | 0.482 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 175.3 | -177.3 | 67.1 | 0 | 0 | 0 | 111.3 | E1007 K1008 V1009 A1013 E1014 Q1015 | E1007-L1011 PolarHBondContact O-N 3.09Å; K1008-L1011 WeakPolarHBondContact O-CB 3.28Å; K1008-L1011 PolarHBondContact O-N 3.11Å; V1009-L1011 VanDerWaalsContact C-N 3.34Å; V1009-L1011 PolarHBondContact O-N 3.41Å; L1011-A1013 VanDerWaalsContact C-N 3.29Å; L1011-A1013 PolarHBondContact O-N 2.87Å; L1011-E1014 WeakPolarHBondContact O-CB 2.81Å; L1011-E1014 PolarHBondContact O-N 3Å; L1011-E1014 VanDerWaalsContact O-N 3.1Å; L1011-Q1015 WeakPolarHBondContact O-CG 3.16Å; L1011-Q1015 PolarHBondContact O-N 3.35Å |
| 1012 | L | 86.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 175.9 | -72.2 | 169.7 | 0 | 0 | 0 | 111.5 | Y973 K1008 V1009 E1014 Q1015 K1016 | Y973-L1012 HydrophobicContact CD1-CB 3.79Å; Y973-L1012 HydrophobicContact CD1-CD1 4.28Å; Y973-L1012 HydrophobicContact CE1-CB 3.98Å; Y973-L1012 HydrophobicContact CE1-CD1 3.62Å; Y973-L1012 HydrophobicContact CE1-CG 4.46Å; Y973-L1012 HydrophobicContact CG-CB 4.32Å; K1008-L1012 HydrophobicContact CG-CD1 4.48Å; K1008-L1012 WeakPolarHBondContact O-CG 3.42Å; K1008-L1012 PolarHBondContact O-N 3.34Å; V1009-L1012 PolarHBondContact O-N 3.4Å; L1012-E1014 VanDerWaalsContact C-N 3.32Å; L1012-E1014 PolarHBondContact O-N 3.14Å; L1012-Q1015 PolarHBondContact O-N 2.98Å; L1012-K1016 PolarHBondContact O-N 3.04Å |
| 1013 | A | 87.3 | Confident | 81 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y973 K977 V1009 L1011 R1017 | Y973-A1013 WeakPolarHBondContact O-CB 3.33Å; K977-A1013 HydrophobicContact CB-CB 3.98Å; K977-A1013 HydrophobicContact CD-CB 3.79Å; V1009-A1013 WeakPolarHBondContact O-CB 3.48Å; V1009-A1013 PolarHBondContact O-N 3.5Å; L1011-A1013 VanDerWaalsContact C-N 3.29Å; L1011-A1013 PolarHBondContact O-N 2.87Å; A1013-R1017 VanDerWaalsContact O-CB 3.29Å; A1013-R1017 WeakPolarHBondContact O-CB 3.45Å; A1013-R1017 PolarHBondContact O-N 2.9Å |
| 1014 | E | 86.9 | Confident | 79.2 | Confident | 111 Ų | 111 | 75.1 Ų | 75.1 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 175.7 | -69.8 | -179.3 | 176.6 | 0 | 0 | 112.1 | K977 F1010 L1011 L1012 R1017 A1018 | K977-E1014 IonicContact NZ-OE1 2.75Å; K977-E1014 PolarHBondContact NZ-OE1 3.09Å; F1010-E1014 WeakPolarHBondContact O-CG 3.28Å; F1010-E1014 PolarHBondContact O-N 3.4Å; L1011-E1014 WeakPolarHBondContact O-CB 2.81Å; L1011-E1014 PolarHBondContact O-N 3Å; L1011-E1014 VanDerWaalsContact O-N 3.1Å; L1012-E1014 VanDerWaalsContact C-N 3.32Å; L1012-E1014 PolarHBondContact O-N 3.14Å; E1014-R1017 PolarHBondContact O-N 3.49Å; E1014-A1018 WeakPolarHBondContact O-CB 3.29Å; E1014-A1018 PolarHBondContact O-N 2.67Å |
| 1015 | Q | 83 | Confident | 77.3 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 51% | 0.514 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 177.2 | -69.7 | 175.1 | -4.4 | 0 | 0 | 111.1 | L1011 L1012 R1017 A1018 A1019 | L1011-Q1015 WeakPolarHBondContact O-CG 3.16Å; L1011-Q1015 PolarHBondContact O-N 3.35Å; L1012-Q1015 PolarHBondContact O-N 2.98Å; Q1015-R1017 PolarHBondContact O-N 3.09Å; Q1015-A1018 PolarHBondContact O-N 3.32Å; Q1015-A1019 PolarHBondContact O-N 3.27Å |
| 1016 | K | 80.6 | Confident | 75.2 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 29% | 0.287 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176 | -75.3 | -153.8 | 174.5 | -171.3 | 0 | 112.4 | D971 E972 Y973 L1012 A1018 A1019 L1020 | D971-K1016 WeakPolarHBondContact OD2-CD 3.49Å; D971-K1016 IonicContact OD2-NZ 3.88Å; D971-K1016 PolarHBondContact OD2-NZ 3.45Å; E972-K1016 IonicContact OE1-NZ 3.31Å; E972-K1016 PolarHBondContact OE1-NZ 3.13Å; E972-K1016 IonicContact OE2-NZ 3.71Å; Y973-K1016 HydrophobicContact CD2-CD 4.07Å; L1012-K1016 PolarHBondContact O-N 3.04Å; K1016-A1018 VanDerWaalsContact C-N 3.33Å; K1016-A1018 PolarHBondContact O-N 3.34Å; K1016-A1019 PolarHBondContact O-N 3.45Å; K1016-L1020 WeakPolarHBondContact O-CG 3.46Å; K1016-L1020 PolarHBondContact O-N 3.45Å |
| 1017 | R | 79.6 | Confident | 73.2 | Confident | 123 Ų | 123 | 84.2 Ų | 84.2 | 46% | 0.464 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.1 | -159.6 | 178.1 | -144 | 143.7 | 11.4 | 112.2 | V974 D978 A1013 E1014 Q1015 G1021 | V974-R1017 HydrophobicContact CG2-CB 4.15Å; D978-R1017 IonicContact OD1-CZ 3.84Å; D978-R1017 IonicContact OD1-NH1 2.64Å; D978-R1017 PolarHBondContact OD1-NH1 3.25Å; D978-R1017 IonicContact OD1-NH2 3.67Å; D978-R1017 PolarHBondContact OD1-NH2 2.91Å; D978-R1017 IonicContact OD2-CZ 2.73Å; D978-R1017 IonicContact OD2-NH1 3.64Å; D978-R1017 IonicContact OD2-NH2 3.56Å; D978-R1017 PolarHBondContact OD2-NH2 3.44Å; A1013-R1017 VanDerWaalsContact O-CB 3.29Å; A1013-R1017 WeakPolarHBondContact O-CB 3.45Å; A1013-R1017 PolarHBondContact O-N 2.9Å; E1014-R1017 PolarHBondContact O-N 3.49Å; Q1015-R1017 PolarHBondContact O-N 3.09Å; R1017-G1021 PolarHBondContact O-N 3.38Å |
| 1018 | A | 76.8 | Confident | 71 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1014 Q1015 K1016 G1021 F1022 | E1014-A1018 WeakPolarHBondContact O-CB 3.29Å; E1014-A1018 PolarHBondContact O-N 2.67Å; Q1015-A1018 PolarHBondContact O-N 3.32Å; K1016-A1018 VanDerWaalsContact C-N 3.33Å; K1016-A1018 PolarHBondContact O-N 3.34Å; A1018-G1021 PolarHBondContact O-N 2.9Å; A1018-F1022 WeakPolarHBondContact O-CD2 3.37Å; A1018-F1022 PolarHBondContact O-N 3.35Å |
| 1019 | A | 71.5 | Confident | 69.1 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 54% | 0.537 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1015 K1016 G1021 F1022 G1023 | Q1015-A1019 PolarHBondContact O-N 3.27Å; K1016-A1019 PolarHBondContact O-N 3.45Å; A1019-G1021 VanDerWaalsContact C-N 3.3Å; A1019-G1021 PolarHBondContact O-N 2.97Å; A1019-F1022 PolarHBondContact O-N 3Å; A1019-G1023 PolarHBondContact O-N 3.46Å |
| 1020 | L | 67.3 | Low | 67 | Low | 95 Ų | 95 | 88 Ų | 88 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 173.8 | -74.2 | 165 | 0 | 0 | 0 | 112.1 | K1016 H1024 | K1016-L1020 WeakPolarHBondContact O-CG 3.46Å; K1016-L1020 PolarHBondContact O-N 3.45Å; L1020-H1024 PolarHBondContact O-N 2.97Å |
| 1021 | G | 58.5 | Low | 65.1 | Low | 34 Ų | 34 | 89.5 Ų | 89.5 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1017 A1018 A1019 H1024 I1025 | R1017-G1021 PolarHBondContact O-N 3.38Å; A1018-G1021 PolarHBondContact O-N 2.9Å; A1019-G1021 VanDerWaalsContact C-N 3.3Å; A1019-G1021 PolarHBondContact O-N 2.97Å; G1021-H1024 PolarHBondContact O-N 3.33Å; G1021-I1025 WeakPolarHBondContact O-CG1 3.47Å; G1021-I1025 PolarHBondContact O-N 3.4Å |
| 1022 | F | 55.7 | Low | 63.3 | Low | 143 Ų | 143 | 89.7 Ų | 89.7 | 63% | 0.627 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.3 | -42.7 | 176.6 | -92.7 | -79.5 | 0 | 0 | 0 | 112.5 | A1018 A1019 H1024 I1025 F1026 | A1018-F1022 WeakPolarHBondContact O-CD2 3.37Å; A1018-F1022 PolarHBondContact O-N 3.35Å; A1019-F1022 PolarHBondContact O-N 3Å; F1022-H1024 VanDerWaalsContact C-N 3.29Å; F1022-H1024 PolarHBondContact O-N 2.72Å; F1022-I1025 PolarHBondContact O-N 3.44Å; F1022-I1025 VanDerWaalsContact O-N 3.14Å; F1022-F1026 PolarHBondContact O-N 3.35Å |
| 1023 | G | 53.8 | Low | 61.6 | Low | 36 Ų | 36 | 90 Ų | 90 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1019 I1025 F1026 I1027 | A1019-G1023 PolarHBondContact O-N 3.46Å; G1023-I1025 VanDerWaalsContact C-N 3.33Å; G1023-I1025 PolarHBondContact O-N 3.02Å; G1023-F1026 PolarHBondContact O-N 3.24Å; G1023-I1027 WeakPolarHBondContact O-CG1 3.5Å; G1023-I1027 PolarHBondContact O-N 3.09Å |
| 1024 | H | 50.9 | Low | 59.8 | Low | 121 Ų | 121 | 93.5 Ų | 93.5 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.3 | -29.4 | 178.4 | -151.6 | -48.6 | 0 | 0 | 0 | 113.4 | L1020 G1021 F1022 K1028 | L1020-H1024 PolarHBondContact O-N 2.97Å; G1021-H1024 PolarHBondContact O-N 3.33Å; F1022-H1024 VanDerWaalsContact C-N 3.29Å; F1022-H1024 PolarHBondContact O-N 2.72Å; H1024-K1028 WeakPolarHBondContact O-CB 3.18Å; H1024-K1028 PolarHBondContact O-N 2.95Å; H1024-K1028 VanDerWaalsContact O-N 3.16Å |
| 1025 | I | 50.9 | Low | 57.9 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 56% | 0.559 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.9 | -42.2 | 172.8 | -68.7 | 165.4 | 0 | 0 | 0 | 110.5 | G1021 F1022 G1023 K1028 A1029 | G1021-I1025 WeakPolarHBondContact O-CG1 3.47Å; G1021-I1025 PolarHBondContact O-N 3.4Å; F1022-I1025 PolarHBondContact O-N 3.44Å; F1022-I1025 VanDerWaalsContact O-N 3.14Å; G1023-I1025 VanDerWaalsContact C-N 3.33Å; G1023-I1025 PolarHBondContact O-N 3.02Å; I1025-K1028 PolarHBondContact O-N 2.93Å; I1025-A1029 WeakPolarHBondContact O-CB 3.45Å; I1025-A1029 PolarHBondContact O-N 2.57Å |
| 1026 | F | 46.2 | Very low | 56.4 | Low | 163 Ų | 163 | 95.3 Ų | 95.3 | 72% | 0.715 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 178.3 | -118.9 | -85.9 | 0 | 0 | 0 | 112.1 | F1022 G1023 K1028 A1029 F1030 | F1022-F1026 PolarHBondContact O-N 3.35Å; G1023-F1026 PolarHBondContact O-N 3.24Å; F1026-K1028 PolarHBondContact O-N 3.34Å; F1026-A1029 PolarHBondContact O-N 3.27Å; F1026-F1030 WeakPolarHBondContact O-CB 3.46Å; F1026-F1030 PolarHBondContact O-N 2.85Å |
| 1027 | I | 48.9 | Very low | 54.9 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 175.8 | -66.2 | 170.8 | 0 | 0 | 0 | 110.7 | G1023 A1029 F1030 I1031 | G1023-I1027 WeakPolarHBondContact O-CG1 3.5Å; G1023-I1027 PolarHBondContact O-N 3.09Å; I1027-A1029 PolarHBondContact O-N 3.39Å; I1027-F1030 PolarHBondContact O-N 3.07Å; I1027-I1031 HydrophobicContact CG2-CD1 3.87Å; I1027-I1031 HydrophobicContact CG2-CG1 4.49Å; I1027-I1031 VanDerWaalsContact O-CG1 3.3Å; I1027-I1031 WeakPolarHBondContact O-CG1 3.49Å; I1027-I1031 PolarHBondContact O-N 2.96Å |
| 1028 | K | 45.3 | Very low | 53.2 | Low | 129 Ų | 129 | 98.3 Ų | 98.3 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 174.8 | -96 | -177.8 | 172.9 | 173.9 | 0 | 112.4 | H1024 I1025 F1026 F1030 I1031 L1032 | H1024-K1028 WeakPolarHBondContact O-CB 3.18Å; H1024-K1028 PolarHBondContact O-N 2.95Å; H1024-K1028 VanDerWaalsContact O-N 3.16Å; I1025-K1028 PolarHBondContact O-N 2.93Å; F1026-K1028 PolarHBondContact O-N 3.34Å; K1028-F1030 VanDerWaalsContact C-N 3.33Å; K1028-I1031 PolarHBondContact O-N 3.22Å; K1028-L1032 WeakPolarHBondContact O-CB 3.15Å; K1028-L1032 PolarHBondContact O-N 3.2Å |
| 1029 | A | 50 | Low | 51.7 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1025 F1026 I1027 L1032 A1033 | I1025-A1029 WeakPolarHBondContact O-CB 3.45Å; I1025-A1029 PolarHBondContact O-N 2.57Å; F1026-A1029 PolarHBondContact O-N 3.27Å; I1027-A1029 PolarHBondContact O-N 3.39Å; A1029-L1032 PolarHBondContact O-N 3.26Å; A1029-A1033 WeakPolarHBondContact O-CB 3.43Å; A1029-A1033 PolarHBondContact O-N 3.2Å |
| 1030 | F | 47.6 | Very low | 50.4 | Low | 137 Ų | 137 | 104.7 Ų | 104.7 | 60% | 0.601 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.5 | -42.8 | 176.1 | -165.4 | -96.4 | 0 | 0 | 0 | 112.3 | F1026 I1027 K1028 A1033 N1034 | F1026-F1030 WeakPolarHBondContact O-CB 3.46Å; F1026-F1030 PolarHBondContact O-N 2.85Å; I1027-F1030 PolarHBondContact O-N 3.07Å; K1028-F1030 VanDerWaalsContact C-N 3.33Å; F1030-A1033 PolarHBondContact O-N 3.16Å; F1030-N1034 WeakPolarHBondContact CE1-ND2 3.33Å; F1030-N1034 PolarHBondContact O-N 3.33Å |
| 1031 | I | 51.8 | Low | 49.1 | Very low | 85 Ų | 85 | 104.8 Ų | 104.8 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -42.8 | 174 | -67.1 | 168.5 | 0 | 0 | 0 | 110.8 | I1027 K1028 N1034 Q1035 | I1027-I1031 HydrophobicContact CG2-CD1 3.87Å; I1027-I1031 HydrophobicContact CG2-CG1 4.49Å; I1027-I1031 VanDerWaalsContact O-CG1 3.3Å; I1027-I1031 WeakPolarHBondContact O-CG1 3.49Å; I1027-I1031 PolarHBondContact O-N 2.96Å; K1028-I1031 PolarHBondContact O-N 3.22Å; I1031-N1034 PolarHBondContact O-N 2.87Å; I1031-Q1035 WeakPolarHBondContact O-CG 3.3Å; I1031-Q1035 PolarHBondContact O-N 2.88Å |
| 1032 | L | 49.7 | Very low | 48.1 | Very low | 96 Ų | 96 | 108.4 Ų | 108.4 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -40.7 | 176 | -96.4 | 148 | 0 | 0 | 0 | 112.3 | K1028 A1029 Q1035 Q1036 | K1028-L1032 WeakPolarHBondContact O-CB 3.15Å; K1028-L1032 PolarHBondContact O-N 3.2Å; A1029-L1032 PolarHBondContact O-N 3.26Å; L1032-Q1035 PolarHBondContact O-N 3.3Å; L1032-Q1036 WeakPolarHBondContact O-CG 3.42Å; L1032-Q1036 PolarHBondContact O-N 2.56Å |
| 1033 | A | 52.3 | Low | 47.4 | Very low | 52 Ų | 52 | 106.2 Ų | 106.2 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1029 F1030 Q1035 Q1036 M1037 | A1029-A1033 WeakPolarHBondContact O-CB 3.43Å; A1029-A1033 PolarHBondContact O-N 3.2Å; F1030-A1033 PolarHBondContact O-N 3.16Å; A1033-Q1035 PolarHBondContact O-N 3.27Å; A1033-Q1036 PolarHBondContact O-N 2.94Å; A1033-M1037 PolarHBondContact O-N 2.84Å |
| 1034 | N | 47.7 | Very low | 46.8 | Very low | 75 Ų | 75 | 111 Ų | 111 | 40% | 0.401 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 175.4 | -90.8 | -25.6 | 0 | 0 | 0 | 112.7 | F1030 I1031 M1037 N1038 | F1030-N1034 WeakPolarHBondContact CE1-ND2 3.33Å; F1030-N1034 PolarHBondContact O-N 3.33Å; I1031-N1034 PolarHBondContact O-N 2.87Å; N1034-M1037 PolarHBondContact O-N 2.86Å; N1034-N1038 PolarHBondContact O-N 3.4Å; N1034-N1038 VanDerWaalsContact O-N 3.08Å |
| 1035 | Q | 48.7 | Very low | 46.2 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.2 | -37 | 174.1 | -75.2 | -178.4 | -8.9 | 0 | 0 | 112.4 | I1031 L1032 A1033 N1038 A1039 | I1031-Q1035 WeakPolarHBondContact O-CG 3.3Å; I1031-Q1035 PolarHBondContact O-N 2.88Å; L1032-Q1035 PolarHBondContact O-N 3.3Å; A1033-Q1035 PolarHBondContact O-N 3.27Å; Q1035-N1038 PolarHBondContact O-N 3.48Å; Q1035-A1039 WeakPolarHBondContact O-CB 3.31Å; Q1035-A1039 PolarHBondContact O-N 3.42Å |
| 1036 | Q | 50.8 | Low | 45.3 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.4 | -36.3 | 175 | -77.1 | -172.6 | -12.7 | 0 | 0 | 112.8 | L1032 A1033 A1039 Q1040 | L1032-Q1036 WeakPolarHBondContact O-CG 3.42Å; L1032-Q1036 PolarHBondContact O-N 2.56Å; A1033-Q1036 PolarHBondContact O-N 2.94Å; Q1036-A1039 PolarHBondContact O-N 3.33Å; Q1036-Q1040 PolarHBondContact O-N 3.45Å |
| 1037 | M | 48.1 | Very low | 44.7 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.5 | -41.9 | 173.7 | -112.2 | -178.8 | 54.6 | 0 | 0 | 111.7 | A1033 N1034 A1039 Q1040 | A1033-M1037 PolarHBondContact O-N 2.84Å; N1034-M1037 PolarHBondContact O-N 2.86Å; M1037-A1039 VanDerWaalsContact C-N 3.31Å; M1037-A1039 PolarHBondContact O-N 2.8Å; M1037-Q1040 PolarHBondContact O-N 3.46Å |
| 1038 | N | 44 | Very low | 44 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 66% | 0.658 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.3 | -29.2 | 175.5 | -77.5 | -21.1 | 0 | 0 | 0 | 112.9 | N1034 Q1035 Q1040 | N1034-N1038 PolarHBondContact O-N 3.4Å; N1034-N1038 VanDerWaalsContact O-N 3.08Å; Q1035-N1038 PolarHBondContact O-N 3.48Å; N1038-Q1040 VanDerWaalsContact C-N 3.33Å |
| 1039 | A | 47.1 | Very low | 43.3 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 69% | 0.686 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.2 | -15.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1035 Q1036 M1037 V1041 | Q1035-A1039 WeakPolarHBondContact O-CB 3.31Å; Q1035-A1039 PolarHBondContact O-N 3.42Å; Q1036-A1039 PolarHBondContact O-N 3.33Å; M1037-A1039 VanDerWaalsContact C-N 3.31Å; M1037-A1039 PolarHBondContact O-N 2.8Å; A1039-V1041 VanDerWaalsContact C-N 3.34Å |
| 1040 | Q | 42.8 | Very low | 42.4 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -0.4 | 176.3 | -75.5 | -171.7 | -7.1 | 0 | 0 | 114 | Q1036 M1037 N1038 N1042 | Q1036-Q1040 PolarHBondContact O-N 3.45Å; M1037-Q1040 PolarHBondContact O-N 3.46Å; N1038-Q1040 VanDerWaalsContact C-N 3.33Å; Q1040-N1042 VanDerWaalsContact C-N 3.35Å; Q1040-N1042 PolarHBondContact O-N 2.93Å |
| 1041 | V | 39.9 | Very low | 41.5 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 58% | 0.582 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -78.8 | 89.9 | 169 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | A1039 P1043 | A1039-V1041 VanDerWaalsContact C-N 3.34Å; V1041-P1043 WeakPolarHBondContact O-CD 3.49Å |
| 1042 | N | 37.2 | Very low | 40.4 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | trans | -52.1 | 117.3 | -178.4 | -169.2 | 0.2 | 0 | 0 | 0 | 111.7 | Q1040 D1044 R1045 | Q1040-N1042 VanDerWaalsContact C-N 3.35Å; Q1040-N1042 PolarHBondContact O-N 2.93Å; N1042-D1044 PolarHBondContact O-N 3.26Å; N1042-D1044 VanDerWaalsContact O-N 3.11Å; N1042-R1045 PolarHBondContact O-N 3.35Å | ||
| 1043 | P | 42.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -68.4 | -9.1 | -169.5 | 23.2 | -32.1 | 0 | 0 | 0 | 115.5 | V1041 R1045 L1046 | V1041-P1043 WeakPolarHBondContact O-CD 3.49Å; P1043-R1045 PolarHBondContact O-N 3.28Å; P1043-L1046 PolarHBondContact O-N 3Å |
| 1044 | D | 40.7 | Very low | 38.3 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -72.8 | -7.2 | 178.9 | -74.6 | -20.7 | 0 | 0 | 0 | 114.3 | N1042 | N1042-D1044 PolarHBondContact O-N 3.26Å; N1042-D1044 VanDerWaalsContact O-N 3.11Å |
| 1045 | R | 38.1 | Very low | 37.5 | Very low | 235 Ų | 235 | 135.4 Ų | 135.4 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -94.9 | -1.6 | 175.3 | -86.6 | -169.6 | 172.5 | -175 | -1.3 | 115.7 | N1042 P1043 | N1042-R1045 PolarHBondContact O-N 3.35Å; P1043-R1045 PolarHBondContact O-N 3.28Å |
| 1046 | L | 32.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 61% | 0.613 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -103.1 | 1.1 | -178 | -84.1 | 160.9 | 0 | 0 | 0 | 115 | P1043 | P1043-L1046 PolarHBondContact O-N 3Š|
| 1047 | Q | 32.8 | Very low | 35.8 | Very low | 189 Ų | 189 | 132 Ų | 132 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -5 | 177.3 | -87.6 | -167.7 | -8.2 | 0 | 0 | 115.8 | ||
| 1048 | E | 33.9 | Very low | 35.1 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -4.3 | 177.4 | -77.6 | -168.2 | 159.7 | 0 | 0 | 115.4 | ||
| 1049 | S | 32.4 | Very low | 34.4 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | S | Bend | trans | -152.6 | 86.3 | -179.8 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1050 | C | 30.7 | Very low | 33.8 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -179.5 | 90.6 | 144.7 | -96.6 | 0 | 0 | 0 | 0 | 108.2 | G1052 | C1050-G1052 PolarHBondContact O-N 3.43Š| ||
| 1051 | G | 27.8 | Very low | 33.3 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -58 | 123.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1052 | G | 29.2 | Very low | 33 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 32.5 | 95.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | C1050 | C1050-G1052 PolarHBondContact O-N 3.43Š| ||
| 1053 | F | 29.4 | Very low | 32.7 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | trans | -129.2 | 99 | 142.1 | -89.5 | -84.7 | 0 | 0 | 0 | 108.9 | F1055 | F1053-F1055 PolarHBondContact O-N 2.92Š| ||
| 1054 | N | 27.9 | Very low | 32.2 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 90% | 0.904 | 84% | 0.836 | S | S | * | * | trans | -81.1 | 97.6 | -180 | -148 | 9.2 | 0 | 0 | 0 | 107.3 | G1056 | N1054-G1056 PolarHBondContact O-N 3.45Š| ||
| 1055 | F | 32.1 | Very low | 31.6 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 83% | 0.833 | 84% | 0.842 | S | S | * | * | trans | -74.3 | 108.7 | 172.6 | -85.9 | -85.5 | 0 | 0 | 0 | 109 | F1053 S1057 | F1053-F1055 PolarHBondContact O-N 2.92Å; F1055-S1057 PolarHBondContact O-N 3.03Å | ||
| 1056 | G | 31.6 | Very low | 31.2 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | -57.7 | 125.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1054 G1058 | N1054-G1056 PolarHBondContact O-N 3.45Å; G1056-G1058 PolarHBondContact O-N 3.27Å | ||
| 1057 | S | 31 | Very low | 31.1 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 86% | 0.855 | S | S | * | * | trans | -58.9 | 106 | 171.9 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | F1055 | F1055-S1057 PolarHBondContact O-N 3.03Š| ||
| 1058 | G | 34.3 | Very low | 31 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | trans | -95.8 | 88.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G1056 | G1056-G1058 PolarHBondContact O-N 3.27Š| ||
| 1059 | S | 28.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 85% | 0.847 | S | S | * | * | trans | -88.5 | 117.5 | 170.8 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1060 | A | 34 | Very low | 30.6 | Very low | 177 Ų | 177 | 126 Ų | 126 | 100% | 1.463 | 87% | 0.874 | S | S | * | * | trans | 163.8 | 0 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 1,060 of 1,060 residues in 1473.5 ms
(Link to these results)