| 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 | 62.1 | Low | 78 | Confident | 173 Ų | 173 | 89.3 Ų | 89.3 | 85% | 0.852 | 44% | 0.444 | S | S | * | . | 0 | -53.6 | 0 | -62.8 | -54.1 | -99.5 | 0 | 0 | 113.3 | L3 L4 Q5 | M1-L3 PolarHBondContact O-N 3.46Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-Q5 PolarHBondContact O-N 2.89Å; M1-Q5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | R | 74.8 | Confident | 78.2 | Confident | 220 Ų | 220 | 82.8 Ų | 82.8 | 83% | 0.83 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.2 | -40.2 | -178.2 | -65.7 | -178.4 | -177.2 | 165.2 | 0.3 | 115.1 | L4 Q5 G6 | R2-L4 PolarHBondContact O-N 3.23Å; R2-Q5 WeakPolarHBondContact O-CB 3.43Å; R2-Q5 PolarHBondContact O-N 2.83Å; R2-G6 PolarHBondContact O-N 3.02Å |
| 3 | L | 76.7 | Confident | 78.2 | Confident | 108 Ų | 108 | 87.3 Ų | 87.3 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 178.8 | -173.1 | 139.5 | 0 | 0 | 0 | 112.5 | M1 G6 L7 I27 | M1-L3 PolarHBondContact O-N 3.46Å; L3-G6 PolarHBondContact O-N 3.3Å; L3-L7 HydrophobicContact CD2-CD1 3.69Å; L3-L7 HydrophobicContact CD2-CG 4.33Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 3.19Å; L3-I27 HydrophobicContact CD2-CG2 3.66Å |
| 4 | L | 79.1 | Confident | 77.9 | Confident | 27 Ų | 27 | 84 Ų | 84 | 14% | 0.141 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 175 | -72.9 | 173.5 | 0 | 0 | 0 | 112 | M1 R2 L7 A8 L15 R24 I27 V28 | M1-L4 PolarHBondContact O-N 3.24Å; R2-L4 PolarHBondContact O-N 3.23Å; L4-L7 PolarHBondContact O-N 3.4Å; L4-A8 WeakPolarHBondContact O-CB 3.09Å; L4-A8 PolarHBondContact O-N 3.26Å; L4-L15 HydrophobicContact CD2-CD2 4.19Å; L4-R24 HydrophobicContact CD1-CB 4.41Å; L4-R24 HydrophobicContact CD1-CG 4.3Å; L4-R24 HydrophobicContact CD2-CG 4.09Å; L4-I27 HydrophobicContact CD2-CB 4.12Å; L4-I27 HydrophobicContact CD2-CD1 3.87Å; L4-I27 HydrophobicContact CD2-CG2 3.88Å; L4-I27 HydrophobicContact CG-CG2 4.28Å; L4-V28 HydrophobicContact CD1-CG2 3.78Å |
| 5 | Q | 78 | Confident | 77.3 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.7 | -71.8 | 172 | -25.1 | 0 | 0 | 111.1 | M1 R2 A8 V9 | M1-Q5 PolarHBondContact O-N 2.89Å; M1-Q5 VanDerWaalsContact O-N 3.14Å; R2-Q5 WeakPolarHBondContact O-CB 3.43Å; R2-Q5 PolarHBondContact O-N 2.83Å; Q5-A8 PolarHBondContact O-N 3.06Å; Q5-V9 VanDerWaalsContact O-CG2 3.31Å; Q5-V9 WeakPolarHBondContact O-CG2 3.4Å; Q5-V9 PolarHBondContact O-N 2.65Å |
| 6 | G | 81.8 | Confident | 76.6 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 38% | 0.381 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R2 L3 A8 V9 V10 | R2-G6 PolarHBondContact O-N 3.02Å; L3-G6 PolarHBondContact O-N 3.3Å; G6-A8 VanDerWaalsContact C-N 3.27Å; G6-A8 PolarHBondContact O-N 2.74Å; G6-V9 WeakPolarHBondContact O-CB 3.24Å; G6-V9 PolarHBondContact O-N 2.83Å; G6-V10 WeakPolarHBondContact O-CG2 3.39Å; G6-V10 PolarHBondContact O-N 3.29Å; G6-V10 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 82 | Confident | 76.2 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 9% | 0.089 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 178 | -68.1 | 174.8 | 0 | 0 | 0 | 113.1 | L3 L4 R11 Y12 L15 I27 A38 | L3-L7 HydrophobicContact CD2-CD1 3.69Å; L3-L7 HydrophobicContact CD2-CG 4.33Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 3.19Å; L4-L7 PolarHBondContact O-N 3.4Å; L7-R11 PolarHBondContact O-N 3.4Å; L7-Y12 PolarHBondContact O-N 2.84Å; L7-Y12 VanDerWaalsContact O-N 3.11Å; L7-L15 HydrophobicContact CB-CD1 3.35Å; L7-L15 HydrophobicContact CD1-CD1 4.11Å; L7-L15 HydrophobicContact CG-CD1 4.38Å; L7-I27 HydrophobicContact CD1-CD1 4Å; L7-A38 HydrophobicContact CD1-CB 4.27Å; L7-A38 HydrophobicContact CD2-CB 4.35Å |
| 8 | A | 80.6 | Confident | 75.5 | Confident | 57 Ų | 57 | 85.3 Ų | 85.3 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L4 Q5 G6 V10 R11 | L4-A8 WeakPolarHBondContact O-CB 3.09Å; L4-A8 PolarHBondContact O-N 3.26Å; Q5-A8 PolarHBondContact O-N 3.06Å; G6-A8 VanDerWaalsContact C-N 3.27Å; G6-A8 PolarHBondContact O-N 2.74Å; A8-V10 VanDerWaalsContact C-N 3.29Å; A8-V10 PolarHBondContact O-N 3.1Å; A8-R11 PolarHBondContact O-N 3.06Å |
| 9 | V | 82.1 | Confident | 75 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 38% | 0.382 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 175.8 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | Q5 G6 R11 A56 V60 | Q5-V9 VanDerWaalsContact O-CG2 3.31Å; Q5-V9 WeakPolarHBondContact O-CG2 3.4Å; Q5-V9 PolarHBondContact O-N 2.65Å; G6-V9 WeakPolarHBondContact O-CB 3.24Å; G6-V9 PolarHBondContact O-N 2.83Å; V9-R11 PolarHBondContact O-N 3.02Å; V9-A56 HydrophobicContact CG1-CB 3.21Å; V9-V60 HydrophobicContact CG1-CG2 3.98Å; V9-V60 HydrophobicContact CG2-CG2 4.27Å |
| 10 | V | 81.9 | Confident | 75 | Confident | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0 | 178.1 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | G6 A8 Y12 W41 L42 A49 R52 L53 | G6-V10 WeakPolarHBondContact O-CG2 3.39Å; G6-V10 PolarHBondContact O-N 3.29Å; G6-V10 VanDerWaalsContact O-N 3.11Å; A8-V10 VanDerWaalsContact C-N 3.29Å; A8-V10 PolarHBondContact O-N 3.1Å; V10-Y12 PolarHBondContact O-N 3.23Å; V10-W41 HydrophobicContact CB-CZ3 4.46Å; V10-W41 HydrophobicContact CG1-CH2 3.89Å; V10-W41 HydrophobicContact CG1-CZ3 3.66Å; V10-W41 WeakPolarHBondContact O-CH2 3.3Å; V10-L42 HydrophobicContact CG1-CD1 4.29Å; V10-A49 VanDerWaalsContact CG1-CA 3.45Å; V10-A49 HydrophobicContact CG1-CB 3.56Å; V10-R52 HydrophobicContact CG1-CB 4.15Å; V10-R52 WeakPolarHBondContact O-CD 3.5Å; V10-L53 HydrophobicContact CG1-CG 4.35Å; V10-L53 HydrophobicContact CG2-CD2 3.38Å; V10-L53 HydrophobicContact CG2-CG 3.64Å |
| 11 | R | 79.4 | Confident | 75.1 | Confident | 161 Ų | 161 | 83.4 Ų | 83.4 | 61% | 0.608 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 47.7 | -179.6 | -64.6 | -169.9 | 174.3 | -165.7 | -1.2 | 113.2 | L7 A8 V9 K13 L16 | L7-R11 PolarHBondContact O-N 3.4Å; A8-R11 PolarHBondContact O-N 3.06Å; V9-R11 PolarHBondContact O-N 3.02Å; R11-K13 PolarHBondContact O-N 3.27Å; R11-K13 VanDerWaalsContact O-N 3.09Å; R11-L16 HydrophobicContact CB-CD1 4.12Å |
| 12 | Y | 80.1 | Confident | 76 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | trans | -58.1 | 114.7 | 174.3 | -178.5 | -127.7 | 0 | 0 | 0 | 110.5 | L7 V10 P14 L15 L23 A38 W41 | L7-Y12 PolarHBondContact O-N 2.84Å; L7-Y12 VanDerWaalsContact O-N 3.11Å; V10-Y12 PolarHBondContact O-N 3.23Å; Y12-P14 VanDerWaalsContact C-CD 3.48Å; Y12-P14 HydrophobicContact CD1-CB 4.27Å; Y12-P14 HydrophobicContact CD1-CG 4.26Å; Y12-P14 HydrophobicContact CD2-CG 4.46Å; Y12-P14 HydrophobicContact CE1-CB 3.78Å; Y12-P14 HydrophobicContact CE1-CG 3.68Å; Y12-P14 HydrophobicContact CE2-CG 3.9Å; Y12-P14 VanDerWaalsContact CZ-CG 3.48Å; Y12-L15 HydrophobicContact CD1-CB 4.48Å; Y12-L15 HydrophobicContact CD1-CD1 4Å; Y12-L15 HydrophobicContact CD1-CG 3.94Å; Y12-L15 WeakPolarHBondContact O-CB 3.32Å; Y12-L15 PolarHBondContact O-N 3.15Å; Y12-L23 HydrophobicContact CE1-CD1 4.44Å; Y12-L23 HydrophobicContact CE1-CD2 4.3Å; Y12-A38 HydrophobicContact CE1-CB 4.04Å; Y12-A38 PolarHBondContact OH-N 3.02Å; Y12-W41 HydrophobicContact CD2-CB 4.19Å; Y12-W41 AromaticContact CD2-CD2 3.52Å; Y12-W41 HydrophobicContact CD2-CD2 3.52Å; Y12-W41 AromaticContact CD2-CE3 3.47Å; Y12-W41 HydrophobicContact CD2-CE3 3.47Å; Y12-W41 VanDerWaalsContact CD2-CE3 3.47Å; Y12-W41 AromaticContact CD2-CG 3.83Å; Y12-W41 HydrophobicContact CD2-CG 3.83Å; Y12-W41 HydrophobicContact CD2-CZ3 4.03Å; Y12-W41 HydrophobicContact CE2-CB 3.6Å; Y12-W41 AromaticContact CE2-CD2 3.87Å; Y12-W41 HydrophobicContact CE2-CD2 3.87Å; Y12-W41 HydrophobicContact CE2-CE3 4.12Å; Y12-W41 AromaticContact CE2-CG 3.63Å; Y12-W41 HydrophobicContact CE2-CG 3.63Å; Y12-W41 HydrophobicContact CG-CE3 4.41Å | ||
| 13 | K | 78.1 | Confident | 76.3 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -51.1 | -43.1 | -170.1 | -65.6 | -179.5 | 179.4 | 178.4 | 0 | 114.1 | R11 L15 L16 S17 | R11-K13 PolarHBondContact O-N 3.27Å; R11-K13 VanDerWaalsContact O-N 3.09Å; K13-L15 PolarHBondContact O-N 3.44Å; K13-L16 WeakPolarHBondContact O-CB 3.4Å; K13-L16 PolarHBondContact O-N 3.2Å; K13-S17 PolarHBondContact O-N 3.27Å |
| 14 | P | 73.5 | Confident | 76.5 | Confident | 41 Ų | 41 | 73 Ų | 73 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -64.2 | -23.8 | 178.9 | -26.2 | 39.1 | 0 | 0 | 0 | 114.3 | Y12 L16 L23 | Y12-P14 VanDerWaalsContact C-CD 3.48Å; Y12-P14 HydrophobicContact CD1-CB 4.27Å; Y12-P14 HydrophobicContact CD1-CG 4.26Å; Y12-P14 HydrophobicContact CD2-CG 4.46Å; Y12-P14 HydrophobicContact CE1-CB 3.78Å; Y12-P14 HydrophobicContact CE1-CG 3.68Å; Y12-P14 HydrophobicContact CE2-CG 3.9Å; Y12-P14 VanDerWaalsContact CZ-CG 3.48Å; P14-L16 VanDerWaalsContact C-N 3.28Å; P14-L23 HydrophobicContact CB-CD1 3.71Å |
| 15 | L | 68.6 | Low | 76.7 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -79.2 | -9.2 | 172.5 | -76.7 | 170.9 | 0 | 0 | 0 | 113.8 | L4 L7 Y12 K13 A20 L23 R24 | L4-L15 HydrophobicContact CD2-CD2 4.19Å; L7-L15 HydrophobicContact CB-CD1 3.35Å; L7-L15 HydrophobicContact CD1-CD1 4.11Å; L7-L15 HydrophobicContact CG-CD1 4.38Å; Y12-L15 HydrophobicContact CD1-CB 4.48Å; Y12-L15 HydrophobicContact CD1-CD1 4Å; Y12-L15 HydrophobicContact CD1-CG 3.94Å; Y12-L15 WeakPolarHBondContact O-CB 3.32Å; Y12-L15 PolarHBondContact O-N 3.15Å; K13-L15 PolarHBondContact O-N 3.44Å; L15-A20 VanDerWaalsContact O-CB 3.25Å; L15-A20 WeakPolarHBondContact O-CB 3.12Å; L15-L23 HydrophobicContact CD2-CD2 3.3Å; L15-L23 HydrophobicContact CG-CD2 3.54Å; L15-R24 HydrophobicContact CD2-CG 3.81Å |
| 16 | L | 67.4 | Low | 77 | Confident | 124 Ų | 124 | 75.3 Ų | 75.3 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -11.4 | 177.8 | -61.5 | 168.1 | 0 | 0 | 0 | 112.6 | R11 K13 P14 | R11-L16 HydrophobicContact CB-CD1 4.12Å; K13-L16 WeakPolarHBondContact O-CB 3.4Å; K13-L16 PolarHBondContact O-N 3.2Å; P14-L16 VanDerWaalsContact C-N 3.28Å |
| 17 | S | 68.3 | Low | 77.1 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -82.9 | 164.7 | 177.2 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | K13 E19 A20 | K13-S17 PolarHBondContact O-N 3.27Å; S17-E19 PolarHBondContact O-N 3.03Å; S17-E19 VanDerWaalsContact O-N 3.09Å; S17-A20 WeakPolarHBondContact O-CB 3.48Å; S17-A20 PolarHBondContact O-N 3.37Å |
| 18 | N | 63.7 | Low | 77.3 | Confident | 164 Ų | 164 | 78.4 Ų | 78.4 | 88% | 0.877 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.7 | 175.6 | -74.1 | -16.2 | 0 | 0 | 0 | 112.9 | A20 | N18-A20 PolarHBondContact O-N 2.86Š|
| 19 | E | 66.1 | Low | 77.6 | Confident | 130 Ų | 130 | 85.9 Ų | 85.9 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -2.6 | 175.4 | -65.1 | 170.5 | -177.1 | 0 | 0 | 113.8 | S17 T21 E22 L23 | S17-E19 PolarHBondContact O-N 3.03Å; S17-E19 VanDerWaalsContact O-N 3.09Å; E19-T21 PolarHBondContact O-N 3.39Å; E19-E22 PolarHBondContact O-N 3.33Å; E19-L23 PolarHBondContact O-N 3.01Å; E19-L23 VanDerWaalsContact O-N 3.11Å |
| 20 | A | 74.8 | Confident | 77.7 | Confident | 9 Ų | 9 | 85.1 Ų | 85.1 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -55.5 | -30.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L15 S17 N18 R24 | L15-A20 VanDerWaalsContact O-CB 3.25Å; L15-A20 WeakPolarHBondContact O-CB 3.12Å; S17-A20 WeakPolarHBondContact O-CB 3.48Å; S17-A20 PolarHBondContact O-N 3.37Å; N18-A20 PolarHBondContact O-N 2.86Å; A20-R24 VanDerWaalsContact O-CB 3.27Å; A20-R24 WeakPolarHBondContact O-CB 3.35Å; A20-R24 WeakPolarHBondContact O-CD 3.43Å; A20-R24 WeakPolarHBondContact O-CG 3.36Å; A20-R24 PolarHBondContact O-N 2.75Å |
| 21 | T | 78.5 | Confident | 77.9 | Confident | 78 Ų | 78 | 88.4 Ų | 88.4 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 177.7 | 42.6 | 0 | 0 | 0 | 0 | 112.9 | E19 R25 | E19-T21 PolarHBondContact O-N 3.39Å; T21-R25 WeakPolarHBondContact O-CG 3.39Å; T21-R25 PolarHBondContact O-N 2.53Å |
| 22 | E | 80.3 | Confident | 78.2 | Confident | 126 Ų | 126 | 87.9 Ų | 87.9 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -72.4 | -46.4 | 178.3 | -65.5 | -171.4 | 166 | 0 | 0 | 110 | E19 R24 R25 S26 | E19-E22 PolarHBondContact O-N 3.33Å; E22-R24 VanDerWaalsContact C-N 3.33Å; E22-R24 PolarHBondContact O-N 3.32Å; E22-R25 CarbonylContact O-C 3.53Å; E22-R25 WeakPolarHBondContact O-CA 3.44Å; E22-R25 WeakPolarHBondContact O-CB 3.3Å; E22-R25 PolarHBondContact O-N 2.63Å; E22-S26 PolarHBondContact O-N 2.89Å; E22-S26 PolarHBondContact O-OG 3.42Å |
| 23 | L | 80.6 | Confident | 78.5 | Confident | 31 Ų | 31 | 90 Ų | 90 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 177.1 | -171.6 | 129.2 | 0 | 0 | 0 | 112.3 | Y12 P14 L15 E19 R25 S26 I27 | Y12-L23 HydrophobicContact CE1-CD1 4.44Å; Y12-L23 HydrophobicContact CE1-CD2 4.3Å; P14-L23 HydrophobicContact CB-CD1 3.71Å; L15-L23 HydrophobicContact CD2-CD2 3.3Å; L15-L23 HydrophobicContact CG-CD2 3.54Å; E19-L23 PolarHBondContact O-N 3.01Å; E19-L23 VanDerWaalsContact O-N 3.11Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.41Å; L23-S26 PolarHBondContact O-N 3.49Å; L23-I27 HydrophobicContact CD2-CD1 3.52Å; L23-I27 HydrophobicContact CD2-CG1 4.46Å; L23-I27 HydrophobicContact CG-CD1 4.09Å; L23-I27 WeakPolarHBondContact O-CB 3.11Å; L23-I27 VanDerWaalsContact O-CG1 3.29Å; L23-I27 WeakPolarHBondContact O-CG1 3.46Å; L23-I27 PolarHBondContact O-N 2.75Å |
| 24 | R | 81.5 | Confident | 78.8 | Confident | 125 Ų | 125 | 83.7 Ų | 83.7 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 172.1 | -76.9 | 169.3 | -163.4 | 173.3 | 7.8 | 111.8 | L4 L15 A20 E22 V28 | L4-R24 HydrophobicContact CD1-CB 4.41Å; L4-R24 HydrophobicContact CD1-CG 4.3Å; L4-R24 HydrophobicContact CD2-CG 4.09Å; L15-R24 HydrophobicContact CD2-CG 3.81Å; A20-R24 VanDerWaalsContact O-CB 3.27Å; A20-R24 WeakPolarHBondContact O-CB 3.35Å; A20-R24 WeakPolarHBondContact O-CD 3.43Å; A20-R24 WeakPolarHBondContact O-CG 3.36Å; A20-R24 PolarHBondContact O-N 2.75Å; E22-R24 VanDerWaalsContact C-N 3.33Å; E22-R24 PolarHBondContact O-N 3.32Å; R24-V28 WeakPolarHBondContact O-CB 3.21Å; R24-V28 WeakPolarHBondContact O-CG2 3.15Å; R24-V28 PolarHBondContact O-N 3.42Å |
| 25 | R | 83.8 | Confident | 79.4 | Confident | 156 Ų | 156 | 84.5 Ų | 84.5 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 177.3 | -71.5 | 174.3 | -170.5 | 159.4 | 2.8 | 111.2 | T21 E22 L23 V28 R29 | T21-R25 WeakPolarHBondContact O-CG 3.39Å; T21-R25 PolarHBondContact O-N 2.53Å; E22-R25 CarbonylContact O-C 3.53Å; E22-R25 WeakPolarHBondContact O-CA 3.44Å; E22-R25 WeakPolarHBondContact O-CB 3.3Å; E22-R25 PolarHBondContact O-N 2.63Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.41Å; R25-V28 PolarHBondContact O-N 2.84Å; R25-R29 WeakPolarHBondContact O-CB 3.12Å; R25-R29 VanDerWaalsContact O-CG 3.29Å; R25-R29 WeakPolarHBondContact O-CG 3.22Å; R25-R29 PolarHBondContact O-N 3.28Å |
| 26 | S | 83.7 | Confident | 80.3 | Confident | 36 Ų | 36 | 89.2 Ų | 89.2 | 25% | 0.252 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 178.2 | -60 | 0 | 0 | 0 | 0 | 111.6 | E22 L23 V28 R29 G30 D31 | E22-S26 PolarHBondContact O-N 2.89Å; E22-S26 PolarHBondContact O-OG 3.42Å; L23-S26 PolarHBondContact O-N 3.49Å; S26-V28 PolarHBondContact O-N 2.89Å; S26-R29 PolarHBondContact O-N 3.18Å; S26-G30 PolarHBondContact O-N 2.8Å; S26-G30 VanDerWaalsContact O-N 3.12Å; S26-D31 WeakPolarHBondContact O-CB 3.41Å; S26-D31 PolarHBondContact O-N 3.16Å |
| 27 | I | 84.4 | Confident | 81.2 | Confident | 17 Ų | 17 | 87.5 Ų | 87.5 | 9% | 0.087 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.4 | -67.9 | 172.3 | 0 | 0 | 0 | 111.3 | L3 L4 L7 L23 R29 G30 A34 | L3-I27 HydrophobicContact CD2-CG2 3.66Å; L4-I27 HydrophobicContact CD2-CB 4.12Å; L4-I27 HydrophobicContact CD2-CD1 3.87Å; L4-I27 HydrophobicContact CD2-CG2 3.88Å; L4-I27 HydrophobicContact CG-CG2 4.28Å; L7-I27 HydrophobicContact CD1-CD1 4Å; L23-I27 HydrophobicContact CD2-CD1 3.52Å; L23-I27 HydrophobicContact CD2-CG1 4.46Å; L23-I27 HydrophobicContact CG-CD1 4.09Å; L23-I27 WeakPolarHBondContact O-CB 3.11Å; L23-I27 VanDerWaalsContact O-CG1 3.29Å; L23-I27 WeakPolarHBondContact O-CG1 3.46Å; L23-I27 PolarHBondContact O-N 2.75Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 2.77Å; I27-G30 PolarHBondContact O-N 3.34Å; I27-G30 VanDerWaalsContact O-N 3.14Å; I27-A34 HydrophobicContact CG1-CB 4.26Å |
| 28 | V | 85.8 | Confident | 82 | Confident | 102 Ų | 102 | 85.1 Ų | 85.1 | 62% | 0.618 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.8 | -33 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | L4 R24 R25 S26 G30 | L4-V28 HydrophobicContact CD1-CG2 3.78Å; R24-V28 WeakPolarHBondContact O-CB 3.21Å; R24-V28 WeakPolarHBondContact O-CG2 3.15Å; R24-V28 PolarHBondContact O-N 3.42Å; R25-V28 PolarHBondContact O-N 2.84Å; S26-V28 PolarHBondContact O-N 2.89Å; V28-G30 PolarHBondContact O-N 3.3Å |
| 29 | R | 86 | Confident | 83 | Confident | 213 Ų | 213 | 80.9 Ų | 80.9 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -74.3 | -12.4 | 174 | -75.2 | 176.9 | 179 | -179.2 | -0.7 | 113.6 | R25 S26 I27 | R25-R29 WeakPolarHBondContact O-CB 3.12Å; R25-R29 VanDerWaalsContact O-CG 3.29Å; R25-R29 WeakPolarHBondContact O-CG 3.22Å; R25-R29 PolarHBondContact O-N 3.28Å; S26-R29 PolarHBondContact O-N 3.18Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 2.77Å |
| 30 | G | 84.2 | Confident | 84 | Confident | 47 Ų | 47 | 79.7 Ų | 79.7 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 29.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S26 I27 V28 K32 | S26-G30 PolarHBondContact O-N 2.8Å; S26-G30 VanDerWaalsContact O-N 3.12Å; I27-G30 PolarHBondContact O-N 3.34Å; I27-G30 VanDerWaalsContact O-N 3.14Å; V28-G30 PolarHBondContact O-N 3.3Å; G30-K32 PolarHBondContact O-N 3.08Å |
| 31 | D | 86.9 | Confident | 84.5 | Confident | 72 Ų | 72 | 81.4 Ų | 81.4 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | trans | -62.1 | 123.9 | 175.9 | -176 | 14.5 | 0 | 0 | 0 | 110.8 | S26 A33 A34 I35 | S26-D31 WeakPolarHBondContact O-CB 3.41Å; S26-D31 PolarHBondContact O-N 3.16Å; D31-A33 PolarHBondContact O-N 2.93Å; D31-A33 PolarHBondContact OD1-N 3.49Å; D31-A34 HydrophobicContact CB-CB 4.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.32Å; D31-I35 PolarHBondContact O-N 3Å | ||
| 32 | K | 86.5 | Confident | 84.8 | Confident | 151 Ų | 151 | 80.6 Ų | 80.6 | 66% | 0.657 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | -172.9 | -168.4 | -179.9 | 174.7 | -172.6 | 0 | 110.5 | G30 I35 F36 | G30-K32 PolarHBondContact O-N 3.08Å; K32-I35 PolarHBondContact O-N 3.37Å; K32-F36 HydrophobicContact CD-CD2 4.35Å; K32-F36 HydrophobicContact CD-CE2 3.86Å; K32-F36 HydrophobicContact CG-CD2 3.53Å; K32-F36 HydrophobicContact CG-CE2 3.31Å; K32-F36 WeakPolarHBondContact O-CD2 3.3Å; K32-F36 PolarHBondContact O-N 3.45Å |
| 33 | A | 86.6 | Confident | 85 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.5 | -53 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D31 I35 F36 D37 | D31-A33 PolarHBondContact O-N 2.93Å; D31-A33 PolarHBondContact OD1-N 3.49Å; A33-I35 VanDerWaalsContact C-N 3.27Å; A33-I35 PolarHBondContact O-N 3.11Å; A33-F36 PolarHBondContact O-N 3.13Å; A33-F36 VanDerWaalsContact O-N 3.09Å; A33-D37 VanDerWaalsContact O-CG 3.23Å; A33-D37 PolarHBondContact O-N 2.85Å |
| 34 | A | 84.2 | Confident | 85.3 | Confident | 9 Ų | 9 | 85.8 Ų | 85.8 | 7% | 0.074 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.1 | -34 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I27 D31 A38 | I27-A34 HydrophobicContact CG1-CB 4.26Å; D31-A34 HydrophobicContact CB-CB 4.45Å; A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.94Å |
| 35 | I | 85.5 | Confident | 84.8 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 30% | 0.297 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.7 | -43.3 | 176.1 | -65.4 | 168.8 | 0 | 0 | 0 | 110.8 | D31 K32 A33 A38 L39 | D31-I35 WeakPolarHBondContact O-CG1 3.32Å; D31-I35 PolarHBondContact O-N 3Å; K32-I35 PolarHBondContact O-N 3.37Å; A33-I35 VanDerWaalsContact C-N 3.27Å; A33-I35 PolarHBondContact O-N 3.11Å; I35-A38 PolarHBondContact O-N 3.44Å; I35-L39 HydrophobicContact CG2-CD1 3.96Å; I35-L39 HydrophobicContact CG2-CG 4.38Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 3.22Å |
| 36 | F | 88.5 | Confident | 84 | Confident | 114 Ų | 114 | 85 Ų | 85 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 177.7 | -82.6 | -64.2 | 0 | 0 | 0 | 112.2 | K32 A33 A38 L39 E40 | K32-F36 HydrophobicContact CD-CD2 4.35Å; K32-F36 HydrophobicContact CD-CE2 3.86Å; K32-F36 HydrophobicContact CG-CD2 3.53Å; K32-F36 HydrophobicContact CG-CE2 3.31Å; K32-F36 WeakPolarHBondContact O-CD2 3.3Å; K32-F36 PolarHBondContact O-N 3.45Å; A33-F36 PolarHBondContact O-N 3.13Å; A33-F36 VanDerWaalsContact O-N 3.09Å; F36-A38 VanDerWaalsContact C-N 3.3Å; F36-A38 PolarHBondContact O-N 2.78Å; F36-L39 PolarHBondContact O-N 2.74Å; F36-E40 WeakPolarHBondContact O-CB 3.35Å; F36-E40 PolarHBondContact O-N 3.37Å |
| 37 | D | 86.2 | Confident | 83.1 | Confident | 87 Ų | 87 | 84.2 Ų | 84.2 | 47% | 0.465 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.7 | -62.7 | -16.7 | 0 | 0 | 0 | 111.2 | A33 E40 W41 | A33-D37 VanDerWaalsContact O-CG 3.23Å; A33-D37 PolarHBondContact O-N 2.85Å; D37-E40 PolarHBondContact O-N 3.47Å; D37-W41 PolarHBondContact O-N 3.46Å |
| 38 | A | 83.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 88.5 Ų | 88.5 | 6% | 0.058 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 Y12 A34 I35 F36 L42 | L7-A38 HydrophobicContact CD1-CB 4.27Å; L7-A38 HydrophobicContact CD2-CB 4.35Å; Y12-A38 HydrophobicContact CE1-CB 4.04Å; Y12-A38 PolarHBondContact OH-N 3.02Å; A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.94Å; I35-A38 PolarHBondContact O-N 3.44Å; F36-A38 VanDerWaalsContact C-N 3.3Å; F36-A38 PolarHBondContact O-N 2.78Å; A38-L42 WeakPolarHBondContact O-CB 3.21Å; A38-L42 PolarHBondContact O-N 2.82Å |
| 39 | L | 85.2 | Confident | 82.8 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 176 | -73.8 | 173.1 | 0 | 0 | 0 | 112 | I35 F36 W41 L42 L43 | I35-L39 HydrophobicContact CG2-CD1 3.96Å; I35-L39 HydrophobicContact CG2-CG 4.38Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 3.22Å; F36-L39 PolarHBondContact O-N 2.74Å; L39-W41 VanDerWaalsContact C-N 3.28Å; L39-W41 PolarHBondContact O-N 2.81Å; L39-L42 PolarHBondContact O-N 3.21Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 3.49Å |
| 40 | E | 86.2 | Confident | 82.7 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 176 | -168.8 | -156.9 | 137.3 | 0 | 0 | 110.1 | F36 D37 L43 R44 | F36-E40 WeakPolarHBondContact O-CB 3.35Å; F36-E40 PolarHBondContact O-N 3.37Å; D37-E40 PolarHBondContact O-N 3.47Å; E40-L43 PolarHBondContact O-N 3.02Å; E40-R44 PolarHBondContact O-N 3.48Å; E40-R44 IonicContact OE1-CZ 3.86Å; E40-R44 IonicContact OE1-NH2 3.9Å; E40-R44 PolarHBondContact OE1-NH2 2.91Å |
| 41 | W | 85.2 | Confident | 82.8 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 17% | 0.17 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 176.5 | -176.5 | 83.4 | 0 | 0 | 0 | 112.7 | V10 Y12 D37 L39 S47 A49 | V10-W41 HydrophobicContact CB-CZ3 4.46Å; V10-W41 HydrophobicContact CG1-CH2 3.89Å; V10-W41 HydrophobicContact CG1-CZ3 3.66Å; V10-W41 WeakPolarHBondContact O-CH2 3.3Å; Y12-W41 HydrophobicContact CD2-CB 4.19Å; Y12-W41 AromaticContact CD2-CD2 3.52Å; Y12-W41 HydrophobicContact CD2-CD2 3.52Å; Y12-W41 AromaticContact CD2-CE3 3.47Å; Y12-W41 HydrophobicContact CD2-CE3 3.47Å; Y12-W41 VanDerWaalsContact CD2-CE3 3.47Å; Y12-W41 AromaticContact CD2-CG 3.83Å; Y12-W41 HydrophobicContact CD2-CG 3.83Å; Y12-W41 HydrophobicContact CD2-CZ3 4.03Å; Y12-W41 HydrophobicContact CE2-CB 3.6Å; Y12-W41 AromaticContact CE2-CD2 3.87Å; Y12-W41 HydrophobicContact CE2-CD2 3.87Å; Y12-W41 HydrophobicContact CE2-CE3 4.12Å; Y12-W41 AromaticContact CE2-CG 3.63Å; Y12-W41 HydrophobicContact CE2-CG 3.63Å; Y12-W41 HydrophobicContact CG-CE3 4.41Å; D37-W41 PolarHBondContact O-N 3.46Å; L39-W41 VanDerWaalsContact C-N 3.28Å; L39-W41 PolarHBondContact O-N 2.81Å; W41-S47 VanDerWaalsContact O-CB 3.25Å; W41-S47 WeakPolarHBondContact O-CB 3.17Å; W41-S47 PolarHBondContact O-OG 2.89Å; W41-A49 HydrophobicContact CE3-CB 4.26Å; W41-A49 HydrophobicContact CH2-CB 3.92Å; W41-A49 HydrophobicContact CZ3-CB 3.68Å |
| 42 | L | 84.9 | Confident | 82.8 | Confident | 60 Ų | 60 | 82.1 Ų | 82.1 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 179.9 | -162.4 | 84.2 | 0 | 0 | 0 | 112.7 | V10 A38 L39 A49 L53 | V10-L42 HydrophobicContact CG1-CD1 4.29Å; A38-L42 WeakPolarHBondContact O-CB 3.21Å; A38-L42 PolarHBondContact O-N 2.82Å; L39-L42 PolarHBondContact O-N 3.21Å; L42-A49 HydrophobicContact CD1-CB 4.03Å; L42-L53 HydrophobicContact CD1-CD1 4.24Å |
| 43 | L | 84.7 | Confident | 82.8 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 72% | 0.723 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.4 | -176.1 | -68.5 | 169.9 | 0 | 0 | 0 | 113.5 | L39 E40 | L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 3.49Å; E40-L43 PolarHBondContact O-N 3.02Å |
| 44 | R | 86.6 | Confident | 82.9 | Confident | 128 Ų | 128 | 81 Ų | 81 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | trans | -72.3 | 132.2 | 179.8 | -169.1 | 175.1 | -69.4 | -162.8 | -1.4 | 110.4 | E40 D46 S47 | E40-R44 PolarHBondContact O-N 3.48Å; E40-R44 IonicContact OE1-CZ 3.86Å; E40-R44 IonicContact OE1-NH2 3.9Å; E40-R44 PolarHBondContact OE1-NH2 2.91Å; R44-D46 VanDerWaalsContact C-N 3.25Å; R44-D46 PolarHBondContact O-N 3.29Å; R44-S47 VanDerWaalsContact O-CB 3.3Å; R44-S47 WeakPolarHBondContact O-CB 3.38Å; R44-S47 PolarHBondContact O-N 3.4Å; R44-S47 PolarHBondContact O-OG 3.26Å | ||
| 45 | P | 71.4 | Confident | 83.3 | Confident | 117 Ų | 117 | 82.4 Ų | 82.4 | 76% | 0.76 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.2 | -174.2 | -24.4 | 32.2 | 0 | 0 | 0 | 114.5 | ||
| 46 | D | 66.8 | Low | 83.5 | Confident | 149 Ų | 149 | 80.5 Ų | 80.5 | 80% | 0.797 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 11.5 | -178.8 | -53.2 | -44.4 | 0 | 0 | 0 | 112.9 | R44 E48 | R44-D46 VanDerWaalsContact C-N 3.25Å; R44-D46 PolarHBondContact O-N 3.29Å; D46-E48 PolarHBondContact O-N 3.06Å |
| 47 | S | 66.3 | Low | 83.5 | Confident | 18 Ų | 18 | 83.2 Ų | 83.2 | 13% | 0.126 | 41% | 0.406 | C | S | . | . | trans | -70.9 | 128.3 | 179.9 | 69.2 | 0 | 0 | 0 | 0 | 109.5 | W41 R44 A49 E50 | W41-S47 VanDerWaalsContact O-CB 3.25Å; W41-S47 WeakPolarHBondContact O-CB 3.17Å; W41-S47 PolarHBondContact O-OG 2.89Å; R44-S47 VanDerWaalsContact O-CB 3.3Å; R44-S47 WeakPolarHBondContact O-CB 3.38Å; R44-S47 PolarHBondContact O-N 3.4Å; R44-S47 PolarHBondContact O-OG 3.26Å; S47-A49 PolarHBondContact O-N 3.47Å; S47-A49 WeakPolarHBondContact OG-CB 3.38Å; S47-E50 PolarHBondContact O-N 2.88Å | ||
| 48 | E | 80.3 | Confident | 83.7 | Confident | 107 Ų | 107 | 83.7 Ų | 83.7 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -0.9 | 165.8 | -62.2 | 175.9 | 129.5 | 0 | 0 | 112.7 | D46 R52 | D46-E48 PolarHBondContact O-N 3.06Å; E48-R52 WeakPolarHBondContact O-CB 3.36Å; E48-R52 VanDerWaalsContact O-CG 3.23Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 3.27Å; E48-R52 IonicContact OE1-NH2 3.93Å; E48-R52 PolarHBondContact OE1-NH2 3.41Å; E48-R52 IonicContact OE2-CZ 3.87Å; E48-R52 IonicContact OE2-NH1 2.8Å; E48-R52 PolarHBondContact OE2-NH1 2.85Å; E48-R52 IonicContact OE2-NH2 2.77Å; E48-R52 PolarHBondContact OE2-NH2 3.49Å |
| 49 | A | 82.4 | Confident | 84 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | V10 W41 L42 S47 R52 L53 | V10-A49 VanDerWaalsContact CG1-CA 3.45Å; V10-A49 HydrophobicContact CG1-CB 3.56Å; W41-A49 HydrophobicContact CE3-CB 4.26Å; W41-A49 HydrophobicContact CH2-CB 3.92Å; W41-A49 HydrophobicContact CZ3-CB 3.68Å; L42-A49 HydrophobicContact CD1-CB 4.03Å; S47-A49 PolarHBondContact O-N 3.47Å; S47-A49 WeakPolarHBondContact OG-CB 3.38Å; A49-R52 PolarHBondContact O-N 3.44Å; A49-L53 VanDerWaalsContact O-CB 3.31Å; A49-L53 WeakPolarHBondContact O-CB 3.23Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.17Å; A49-L53 PolarHBondContact O-N 3.07Å |
| 50 | E | 84.1 | Confident | 84 | Confident | 149 Ų | 149 | 85.5 Ų | 85.5 | 70% | 0.696 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.1 | -50.2 | 179.7 | -174.5 | -178.5 | 175.5 | 0 | 0 | 111 | S47 R52 L53 Y54 | S47-E50 PolarHBondContact O-N 2.88Å; E50-R52 VanDerWaalsContact C-N 3.33Å; E50-R52 PolarHBondContact O-N 3.3Å; E50-L53 WeakPolarHBondContact O-CB 3.48Å; E50-L53 PolarHBondContact O-N 3.31Å; E50-Y54 PolarHBondContact O-N 3.26Å |
| 51 | K | 85.9 | Confident | 83.9 | Confident | 91 Ų | 91 | 84.4 Ų | 84.4 | 40% | 0.396 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.9 | -174.3 | 169.9 | -178.4 | 167.9 | 0 | 111.8 | Y54 L55 E96 | K51-Y54 PolarHBondContact O-N 3.36Å; K51-L55 HydrophobicContact CG-CD1 4.12Å; K51-L55 WeakPolarHBondContact O-CB 3.45Å; K51-L55 VanDerWaalsContact O-CG 3.26Å; K51-L55 WeakPolarHBondContact O-CG 3.29Å; K51-L55 PolarHBondContact O-N 2.86Å; K51-E96 WeakPolarHBondContact CE-OE2 3.44Å; K51-E96 IonicContact NZ-OE2 2.7Å; K51-E96 PolarHBondContact NZ-OE2 3.37Å |
| 52 | R | 87 | Confident | 83.8 | Confident | 61 Ų | 61 | 88.4 Ų | 88.4 | 23% | 0.23 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 177.4 | -75.1 | 179 | -178.2 | 121.3 | 11.4 | 112.7 | V10 E48 A49 E50 L55 A56 | V10-R52 HydrophobicContact CG1-CB 4.15Å; V10-R52 WeakPolarHBondContact O-CD 3.5Å; E48-R52 WeakPolarHBondContact O-CB 3.36Å; E48-R52 VanDerWaalsContact O-CG 3.23Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 3.27Å; E48-R52 IonicContact OE1-NH2 3.93Å; E48-R52 PolarHBondContact OE1-NH2 3.41Å; E48-R52 IonicContact OE2-CZ 3.87Å; E48-R52 IonicContact OE2-NH1 2.8Å; E48-R52 PolarHBondContact OE2-NH1 2.85Å; E48-R52 IonicContact OE2-NH2 2.77Å; E48-R52 PolarHBondContact OE2-NH2 3.49Å; A49-R52 PolarHBondContact O-N 3.44Å; E50-R52 VanDerWaalsContact C-N 3.33Å; E50-R52 PolarHBondContact O-N 3.3Å; R52-L55 PolarHBondContact O-N 3.13Å; R52-A56 WeakPolarHBondContact O-CB 3.36Å; R52-A56 PolarHBondContact O-N 2.85Å |
| 53 | L | 87.1 | Confident | 83.7 | Confident | 79 Ų | 79 | 94 Ų | 94 | 41% | 0.414 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.2 | -79.7 | 169 | 0 | 0 | 0 | 111.5 | V10 L42 A49 E50 | V10-L53 HydrophobicContact CG1-CG 4.35Å; V10-L53 HydrophobicContact CG2-CD2 3.38Å; V10-L53 HydrophobicContact CG2-CG 3.64Å; L42-L53 HydrophobicContact CD1-CD1 4.24Å; A49-L53 VanDerWaalsContact O-CB 3.31Å; A49-L53 WeakPolarHBondContact O-CB 3.23Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.17Å; A49-L53 PolarHBondContact O-N 3.07Å; E50-L53 WeakPolarHBondContact O-CB 3.48Å; E50-L53 PolarHBondContact O-N 3.31Å |
| 54 | Y | 89.6 | Confident | 83.6 | Confident | 103 Ų | 103 | 89.5 Ų | 89.5 | 40% | 0.404 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -52.9 | 173.7 | 173.1 | -97.9 | 0 | 0 | 0 | 110.9 | E50 K51 A56 K57 F58 F88 H92 | E50-Y54 PolarHBondContact O-N 3.26Å; K51-Y54 PolarHBondContact O-N 3.36Å; Y54-A56 VanDerWaalsContact C-N 3.3Å; Y54-A56 PolarHBondContact O-N 2.8Å; Y54-K57 PolarHBondContact O-N 3.41Å; Y54-F58 HydrophobicContact CD2-CE2 4.29Å; Y54-F58 HydrophobicContact CE1-CE2 4.3Å; Y54-F58 AromaticContact CE2-CE2 3.8Å; Y54-F58 HydrophobicContact CE2-CE2 3.8Å; Y54-F58 AromaticContact CZ-CE2 3.81Å; Y54-F58 WeakPolarHBondContact O-CD2 3.22Å; Y54-F88 HydrophobicContact CE1-CZ 4.17Å; Y54-H92 AromaticContact CE1-CE1 3.69Å; Y54-H92 AromaticContact CE1-ND1 3.95Å |
| 55 | L | 91.8 | Very high | 83.5 | Confident | 38 Ų | 38 | 86.3 Ų | 86.3 | 20% | 0.199 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.3 | -35.9 | -179.8 | -72.8 | 176.2 | 0 | 0 | 0 | 112.9 | K51 R52 K57 F58 L59 F88 | K51-L55 HydrophobicContact CG-CD1 4.12Å; K51-L55 WeakPolarHBondContact O-CB 3.45Å; K51-L55 VanDerWaalsContact O-CG 3.26Å; K51-L55 WeakPolarHBondContact O-CG 3.29Å; K51-L55 PolarHBondContact O-N 2.86Å; R52-L55 PolarHBondContact O-N 3.13Å; L55-K57 PolarHBondContact O-N 2.83Å; L55-F58 PolarHBondContact O-N 2.88Å; L55-L59 HydrophobicContact CB-CD1 4.22Å; L55-L59 HydrophobicContact CD2-CD1 4.06Å; L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.33Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.46Å; L55-F88 HydrophobicContact CD2-CE1 3.95Å; L55-F88 HydrophobicContact CD2-CZ 4.41Å |
| 56 | A | 88.6 | Confident | 84 | Confident | 19 Ų | 19 | 84.9 Ų | 84.9 | 16% | 0.157 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.1 | -31.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V9 R52 Y54 F58 V60 | V9-A56 HydrophobicContact CG1-CB 3.21Å; R52-A56 WeakPolarHBondContact O-CB 3.36Å; R52-A56 PolarHBondContact O-N 2.85Å; Y54-A56 VanDerWaalsContact C-N 3.3Å; Y54-A56 PolarHBondContact O-N 2.8Å; A56-F58 PolarHBondContact O-N 3.42Å; A56-V60 HydrophobicContact CB-CG2 4.06Å; A56-V60 WeakPolarHBondContact O-CB 3.41Å; A56-V60 WeakPolarHBondContact O-CG2 3.31Å; A56-V60 PolarHBondContact O-N 2.84Å |
| 57 | K | 88.6 | Confident | 84.9 | Confident | 170 Ų | 170 | 84.1 Ų | 84.1 | 74% | 0.739 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.8 | -28.4 | 177.4 | -66.8 | 178.8 | 180 | 179 | 0 | 112.8 | Y54 L55 | Y54-K57 PolarHBondContact O-N 3.41Å; L55-K57 PolarHBondContact O-N 2.83Å |
| 58 | F | 90.5 | Very high | 85.7 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -109.7 | -25.1 | -174.6 | -55 | -71.2 | 0 | 0 | 0 | 112.8 | Y54 L55 A56 F88 | Y54-F58 HydrophobicContact CD2-CE2 4.29Å; Y54-F58 HydrophobicContact CE1-CE2 4.3Å; Y54-F58 AromaticContact CE2-CE2 3.8Å; Y54-F58 HydrophobicContact CE2-CE2 3.8Å; Y54-F58 AromaticContact CZ-CE2 3.81Å; Y54-F58 WeakPolarHBondContact O-CD2 3.22Å; L55-F58 PolarHBondContact O-N 2.88Å; A56-F58 PolarHBondContact O-N 3.42Å; F58-F88 HydrophobicContact CB-CD1 4.1Å; F58-F88 HydrophobicContact CB-CE1 3.76Å; F58-F88 HydrophobicContact CB-CE2 4.48Å; F58-F88 HydrophobicContact CB-CZ 3.97Å; F58-F88 HydrophobicContact CD2-CE1 4.18Å; F58-F88 HydrophobicContact CD2-CE2 4.15Å; F58-F88 AromaticContact CD2-CZ 3.61Å; F58-F88 HydrophobicContact CD2-CZ 3.61Å; F58-F88 HydrophobicContact CE2-CZ 4.32Å; F58-F88 HydrophobicContact CG-CE1 4.21Å; F58-F88 HydrophobicContact CG-CE2 4.2Å; F58-F88 AromaticContact CG-CZ 3.88Å; F58-F88 HydrophobicContact CG-CZ 3.88Å |
| 59 | L | 90.7 | Very high | 85.5 | Confident | 48 Ų | 48 | 87.5 Ų | 87.5 | 25% | 0.251 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -109.1 | -4.7 | -170.1 | -62.6 | -172.4 | 0 | 0 | 0 | 114.9 | L55 P61 M85 F88 K89 | L55-L59 HydrophobicContact CB-CD1 4.22Å; L55-L59 HydrophobicContact CD2-CD1 4.06Å; L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.33Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.46Å; L59-P61 WeakPolarHBondContact O-CD 3.35Å; L59-M85 VanDerWaalsContact C-CE 3.47Å; L59-M85 HydrophobicContact CD2-CB 4.34Å; L59-M85 HydrophobicContact CD2-CE 4.47Å; L59-M85 VanDerWaalsContact O-CE 3.24Å; L59-M85 WeakPolarHBondContact O-CE 3.3Å; L59-F88 HydrophobicContact CD2-CD1 3.83Å; L59-F88 HydrophobicContact CD2-CE1 4.28Å; L59-F88 HydrophobicContact CG-CD1 4.32Å; L59-F88 HydrophobicContact CG-CE1 4.27Å; L59-K89 HydrophobicContact CD1-CG 4.04Å; L59-K89 HydrophobicContact CD2-CD 4.34Å; L59-K89 HydrophobicContact CD2-CG 3.79Å |
| 60 | V | 86.4 | Confident | 85.3 | Confident | 72 Ų | 72 | 95.7 Ų | 95.7 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -82.3 | 115.4 | 172.2 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | V9 A56 | V9-V60 HydrophobicContact CG1-CG2 3.98Å; V9-V60 HydrophobicContact CG2-CG2 4.27Å; A56-V60 HydrophobicContact CB-CG2 4.06Å; A56-V60 WeakPolarHBondContact O-CB 3.41Å; A56-V60 WeakPolarHBondContact O-CG2 3.31Å; A56-V60 PolarHBondContact O-N 2.84Å |
| 61 | P | 82.3 | Confident | 85.5 | Confident | 84 Ų | 84 | 92.1 Ų | 92.1 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | trans | -64.6 | 142 | -179.4 | 27.2 | -34 | 0 | 0 | 0 | 110.1 | L59 Q63 | L59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-Q63 PolarHBondContact O-N 2.8Å | ||
| 62 | V | 83.2 | Confident | 85.7 | Confident | 128 Ų | 128 | 93.1 Ų | 93.1 | 78% | 0.776 | 47% | 0.474 | S | S | * | . | trans | -66.2 | 122.6 | 172.6 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | V64 | V62-V64 HydrophobicContact CG1-CG2 4.45Å; V62-V64 PolarHBondContact O-N 3.31Å | ||
| 63 | Q | 82.6 | Confident | 85.8 | Confident | 179 Ų | 179 | 97.3 Ų | 97.3 | 84% | 0.836 | 50% | 0.497 | S | S | * | . | trans | -73.3 | 96.8 | 177 | -66.6 | -177.1 | 13.9 | 0 | 0 | 109 | P61 | P61-Q63 PolarHBondContact O-N 2.8Š| ||
| 64 | V | 82.8 | Confident | 85.9 | Confident | 43 Ų | 43 | 95.8 Ų | 95.8 | 26% | 0.261 | 49% | 0.488 | S | S | . | . | trans | -84.1 | 122.9 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | V62 F68 L69 I74 | V62-V64 HydrophobicContact CG1-CG2 4.45Å; V62-V64 PolarHBondContact O-N 3.31Å; V64-F68 HydrophobicContact CG1-CB 3.89Å; V64-L69 HydrophobicContact CB-CD2 4.23Å; V64-L69 HydrophobicContact CG1-CD2 4.1Å; V64-L69 HydrophobicContact CG1-CG 4.31Å; V64-I74 HydrophobicContact CG1-CG2 3.89Å | ||
| 65 | P | 85.9 | Confident | 85.9 | Confident | 61 Ų | 61 | 94.6 Ų | 94.6 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | trans | -58.3 | 143.5 | 177.1 | -21.9 | 31.6 | 0 | 0 | 0 | 111.8 | E67 F68 | P65-E67 WeakPolarHBondContact CB-OE2 3.49Å; P65-E67 PolarHBondContact O-N 3.08Å; P65-E67 VanDerWaalsContact O-N 3.08Å; P65-F68 HydrophobicContact CB-CD2 3.9Å; P65-F68 HydrophobicContact CB-CE2 4.33Å; P65-F68 HydrophobicContact CG-CD2 3.98Å; P65-F68 HydrophobicContact CG-CE2 4.23Å; P65-F68 PolarHBondContact O-N 3.18Å | ||
| 66 | P | 80.8 | Confident | 85.8 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19 | -171.2 | 26.8 | -34.9 | 0 | 0 | 0 | 113.9 | F68 L69 | P66-F68 VanDerWaalsContact C-N 3.27Å; P66-F68 PolarHBondContact O-N 2.97Å; P66-L69 PolarHBondContact O-N 3.49Å |
| 67 | E | 85.1 | Confident | 86 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -31.3 | 176.1 | -53.7 | 77.3 | -165.1 | 0 | 0 | 111.9 | P65 | P65-E67 WeakPolarHBondContact CB-OE2 3.49Å; P65-E67 PolarHBondContact O-N 3.08Å; P65-E67 VanDerWaalsContact O-N 3.08Å |
| 68 | F | 83.1 | Confident | 86 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -17 | -179.7 | -66 | -70.7 | 0 | 0 | 0 | 113.1 | V64 P65 P66 Q70 D71 I74 | V64-F68 HydrophobicContact CG1-CB 3.89Å; P65-F68 HydrophobicContact CB-CD2 3.9Å; P65-F68 HydrophobicContact CB-CE2 4.33Å; P65-F68 HydrophobicContact CG-CD2 3.98Å; P65-F68 HydrophobicContact CG-CE2 4.23Å; P65-F68 PolarHBondContact O-N 3.18Å; P66-F68 VanDerWaalsContact C-N 3.27Å; P66-F68 PolarHBondContact O-N 2.97Å; F68-Q70 PolarHBondContact O-N 3.03Å; F68-D71 WeakPolarHBondContact O-CB 3.3Å; F68-D71 PolarHBondContact O-N 3.25Å; F68-D71 VanDerWaalsContact O-N 3.09Å; F68-I74 HydrophobicContact CB-CD1 3.74Å; F68-I74 HydrophobicContact CD1-CD1 4.05Å; F68-I74 HydrophobicContact CG-CD1 4.27Å |
| 69 | L | 77.3 | Confident | 86 | Confident | 83 Ų | 83 | 97.2 Ų | 97.2 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.4 | 178.9 | -72 | 175.2 | 0 | 0 | 0 | 113.5 | V64 P66 D71 | V64-L69 HydrophobicContact CB-CD2 4.23Å; V64-L69 HydrophobicContact CG1-CD2 4.1Å; V64-L69 HydrophobicContact CG1-CG 4.31Å; P66-L69 PolarHBondContact O-N 3.49Å; L69-D71 VanDerWaalsContact C-N 3.3Å |
| 70 | Q | 78.5 | Confident | 86.1 | Confident | 172 Ų | 172 | 100 Ų | 100 | 80% | 0.804 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15.5 | 173.9 | -60.7 | -179.8 | 21.3 | 0 | 0 | 112.5 | F68 I72 | F68-Q70 PolarHBondContact O-N 3.03Å; Q70-I72 PolarHBondContact O-N 3.34Å |
| 71 | D | 88.1 | Confident | 86.3 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 40% | 0.401 | 51% | 0.51 | S | S | . | . | trans | -77.6 | 121.2 | 175.9 | -167.4 | -24.8 | 0 | 0 | 0 | 109.9 | F68 L69 E73 I74 E75 | F68-D71 WeakPolarHBondContact O-CB 3.3Å; F68-D71 PolarHBondContact O-N 3.25Å; F68-D71 VanDerWaalsContact O-N 3.09Å; L69-D71 VanDerWaalsContact C-N 3.3Å; D71-E73 PolarHBondContact O-N 3.03Å; D71-E73 PolarHBondContact OD1-N 3.46Å; D71-I74 HydrophobicContact CB-CB 4.15Å; D71-I74 HydrophobicContact CB-CD1 3.9Å; D71-I74 HydrophobicContact CB-CG1 3.96Å; D71-I74 PolarHBondContact O-N 3.15Å; D71-E75 PolarHBondContact O-N 2.81Å | ||
| 72 | I | 89 | Confident | 86.8 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -36.6 | -177.1 | -60.7 | 171.7 | 0 | 0 | 0 | 110.7 | Q70 Q76 | Q70-I72 PolarHBondContact O-N 3.34Å; I72-Q76 WeakPolarHBondContact O-CB 3.41Å; I72-Q76 VanDerWaalsContact O-CG 3.26Å; I72-Q76 WeakPolarHBondContact O-CG 3.42Å; I72-Q76 PolarHBondContact O-N 2.87Å |
| 73 | E | 89.8 | Confident | 87.3 | Confident | 149 Ų | 149 | 99.2 Ų | 99.2 | 70% | 0.696 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.1 | -41.5 | -179.5 | -65 | -172.5 | 176.4 | 0 | 0 | 111.3 | D71 Q76 L77 | D71-E73 PolarHBondContact O-N 3.03Å; D71-E73 PolarHBondContact OD1-N 3.46Å; E73-Q76 PolarHBondContact O-N 2.93Å; E73-L77 PolarHBondContact O-N 2.8Å |
| 74 | I | 90 | Very high | 87.8 | Confident | 47 Ų | 47 | 95.8 Ų | 95.8 | 24% | 0.241 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 178.8 | -61.3 | -179.3 | 0 | 0 | 0 | 110.3 | V64 F68 D71 Q76 L77 C78 | V64-I74 HydrophobicContact CG1-CG2 3.89Å; F68-I74 HydrophobicContact CB-CD1 3.74Å; F68-I74 HydrophobicContact CD1-CD1 4.05Å; F68-I74 HydrophobicContact CG-CD1 4.27Å; D71-I74 HydrophobicContact CB-CB 4.15Å; D71-I74 HydrophobicContact CB-CD1 3.9Å; D71-I74 HydrophobicContact CB-CG1 3.96Å; D71-I74 PolarHBondContact O-N 3.15Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.46Å; I74-L77 PolarHBondContact O-N 3.32Å; I74-C78 PolarHBondContact O-N 3.49Å; I74-C78 PolarHBondContact O-SG 3.42Å |
| 75 | E | 87.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 95.2 Ų | 95.2 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.6 | -168.8 | -173.1 | -171.2 | 0 | 0 | 111.5 | D71 L77 C78 R79 | D71-E75 PolarHBondContact O-N 2.81Å; E75-L77 PolarHBondContact O-N 3.3Å; E75-C78 PolarHBondContact O-N 2.88Å; E75-R79 WeakPolarHBondContact O-CG 3.47Å; E75-R79 PolarHBondContact O-N 3.11Å; E75-R79 IonicContact OE1-CZ 3.49Å; E75-R79 IonicContact OE1-NE 3.67Å; E75-R79 IonicContact OE1-NH2 3.43Å; E75-R79 PolarHBondContact OE1-NH2 3.28Å; E75-R79 IonicContact OE2-NH2 3.28Å; E75-R79 PolarHBondContact OE2-NH2 3.49Å |
| 76 | Q | 91 | Very high | 88.7 | Confident | 103 Ų | 103 | 96.7 Ų | 96.7 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 175.6 | -75 | 176.9 | 12.9 | 0 | 0 | 112.1 | I72 E73 I74 R79 Q80 | I72-Q76 WeakPolarHBondContact O-CB 3.41Å; I72-Q76 VanDerWaalsContact O-CG 3.26Å; I72-Q76 WeakPolarHBondContact O-CG 3.42Å; I72-Q76 PolarHBondContact O-N 2.87Å; E73-Q76 PolarHBondContact O-N 2.93Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.46Å; Q76-R79 PolarHBondContact O-N 2.84Å; Q76-Q80 WeakPolarHBondContact O-CG 3.34Å; Q76-Q80 PolarHBondContact O-N 3.28Å |
| 77 | L | 91.6 | Very high | 89.4 | Confident | 105 Ų | 105 | 98.4 Ų | 98.4 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 177.9 | -172.3 | 64.5 | 0 | 0 | 0 | 111.9 | E73 I74 E75 R79 Q80 C81 | E73-L77 PolarHBondContact O-N 2.8Å; I74-L77 PolarHBondContact O-N 3.32Å; E75-L77 PolarHBondContact O-N 3.3Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 3.27Å; L77-Q80 PolarHBondContact O-N 2.93Å; L77-C81 PolarHBondContact O-N 3.48Å; L77-C81 PolarHBondContact O-SG 3.22Å; L77-C81 VanDerWaalsContact O-SG 3.36Å |
| 78 | C | 89.8 | Confident | 89.9 | Confident | 37 Ų | 37 | 94.5 Ų | 94.5 | 25% | 0.25 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 174.7 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | I74 E75 Q80 C81 D82 | I74-C78 PolarHBondContact O-N 3.49Å; I74-C78 PolarHBondContact O-SG 3.42Å; E75-C78 PolarHBondContact O-N 2.88Å; C78-Q80 PolarHBondContact O-N 2.74Å; C78-C81 WeakPolarHBondContact O-CB 3.43Å; C78-C81 PolarHBondContact O-N 3.3Å; C78-D82 PolarHBondContact O-N 2.8Å |
| 79 | R | 89.9 | Confident | 90.5 | Very high | 135 Ų | 135 | 92.2 Ų | 92.2 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 175.9 | -68.1 | 175.7 | -169.9 | 172.7 | 3.3 | 112.4 | E75 Q76 L77 D82 Q83 | E75-R79 WeakPolarHBondContact O-CG 3.47Å; E75-R79 PolarHBondContact O-N 3.11Å; E75-R79 IonicContact OE1-CZ 3.49Å; E75-R79 IonicContact OE1-NE 3.67Å; E75-R79 IonicContact OE1-NH2 3.43Å; E75-R79 PolarHBondContact OE1-NH2 3.28Å; E75-R79 IonicContact OE2-NH2 3.28Å; E75-R79 PolarHBondContact OE2-NH2 3.49Å; Q76-R79 PolarHBondContact O-N 2.84Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 3.27Å; R79-D82 PolarHBondContact O-N 3Å; R79-Q83 VanDerWaalsContact O-CG 3.31Å; R79-Q83 WeakPolarHBondContact O-CG 3.28Å; R79-Q83 PolarHBondContact O-N 2.91Å |
| 80 | Q | 92.7 | Very high | 91.3 | Very high | 106 Ų | 106 | 92.9 Ų | 92.9 | 50% | 0.495 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.1 | -73.7 | 177.7 | -8.5 | 0 | 0 | 111.9 | Q76 L77 C78 Q83 L84 | Q76-Q80 WeakPolarHBondContact O-CG 3.34Å; Q76-Q80 PolarHBondContact O-N 3.28Å; L77-Q80 PolarHBondContact O-N 2.93Å; C78-Q80 PolarHBondContact O-N 2.74Å; Q80-Q83 PolarHBondContact O-N 3.41Å; Q80-L84 WeakPolarHBondContact O-CG 3.4Å; Q80-L84 PolarHBondContact O-N 2.81Å |
| 81 | C | 91.7 | Very high | 92.1 | Very high | 61 Ų | 61 | 89.4 Ų | 89.4 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 173.6 | -74.4 | 0 | 0 | 0 | 0 | 111.5 | L77 C78 Q83 L84 M85 | L77-C81 PolarHBondContact O-N 3.48Å; L77-C81 PolarHBondContact O-SG 3.22Å; L77-C81 VanDerWaalsContact O-SG 3.36Å; C78-C81 WeakPolarHBondContact O-CB 3.43Å; C78-C81 PolarHBondContact O-N 3.3Å; C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 3.33Å; C81-L84 PolarHBondContact O-N 3.32Å; C81-M85 WeakPolarHBondContact O-CB 3.2Å; C81-M85 WeakPolarHBondContact O-CG 3.44Å; C81-M85 PolarHBondContact O-N 3.29Å |
| 82 | D | 91.1 | Very high | 92.4 | Very high | 85 Ų | 85 | 86.9 Ų | 86.9 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 178.1 | -72.8 | -26.4 | 0 | 0 | 0 | 111.9 | C78 R79 M85 D86 | C78-D82 PolarHBondContact O-N 2.8Å; R79-D82 PolarHBondContact O-N 3Å; D82-M85 PolarHBondContact O-N 3.39Å; D82-D86 PolarHBondContact O-N 3.45Å |
| 83 | Q | 93.9 | Very high | 92.6 | Very high | 122 Ų | 122 | 88.3 Ų | 88.3 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.3 | -49.2 | 174.2 | -74 | 172.1 | -0.7 | 0 | 0 | 111.8 | R79 Q80 C81 M85 D86 E87 | R79-Q83 VanDerWaalsContact O-CG 3.31Å; R79-Q83 WeakPolarHBondContact O-CG 3.28Å; R79-Q83 PolarHBondContact O-N 2.91Å; Q80-Q83 PolarHBondContact O-N 3.41Å; C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 3.33Å; Q83-M85 VanDerWaalsContact C-N 3.3Å; Q83-M85 PolarHBondContact O-N 2.85Å; Q83-D86 PolarHBondContact O-N 2.72Å; Q83-D86 VanDerWaalsContact O-N 3.14Å; Q83-E87 WeakPolarHBondContact O-CG 3.36Å; Q83-E87 PolarHBondContact O-N 3Å |
| 84 | L | 94.3 | Very high | 92.8 | Very high | 107 Ų | 107 | 86.5 Ų | 86.5 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.7 | -35.4 | 177.3 | -72.7 | 171.3 | 0 | 0 | 0 | 112.4 | Q80 C81 D86 F88 | Q80-L84 WeakPolarHBondContact O-CG 3.4Å; Q80-L84 PolarHBondContact O-N 2.81Å; C81-L84 PolarHBondContact O-N 3.32Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-F88 WeakPolarHBondContact O-CB 3.2Å; L84-F88 PolarHBondContact O-N 2.77Å |
| 85 | M | 94 | Very high | 93 | Very high | 30 Ų | 30 | 90.5 Ų | 90.5 | 15% | 0.148 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 174.1 | -73.6 | 169.1 | 75.4 | 0 | 0 | 111.5 | L59 C81 D82 Q83 K89 | L59-M85 VanDerWaalsContact C-CE 3.47Å; L59-M85 HydrophobicContact CD2-CB 4.34Å; L59-M85 HydrophobicContact CD2-CE 4.47Å; L59-M85 VanDerWaalsContact O-CE 3.24Å; L59-M85 WeakPolarHBondContact O-CE 3.3Å; C81-M85 WeakPolarHBondContact O-CB 3.2Å; C81-M85 WeakPolarHBondContact O-CG 3.44Å; C81-M85 PolarHBondContact O-N 3.29Å; D82-M85 PolarHBondContact O-N 3.39Å; Q83-M85 VanDerWaalsContact C-N 3.3Å; Q83-M85 PolarHBondContact O-N 2.85Å; M85-K89 VanDerWaalsContact O-CG 3.28Å; M85-K89 WeakPolarHBondContact O-CG 3.45Å; M85-K89 PolarHBondContact O-N 2.96Å |
| 86 | D | 93.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 88.4 Ų | 88.4 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71 | -41.3 | 176.2 | -77.3 | -18.7 | 0 | 0 | 0 | 112.4 | D82 Q83 L84 F88 K89 E90 | D82-D86 PolarHBondContact O-N 3.45Å; Q83-D86 PolarHBondContact O-N 2.72Å; Q83-D86 VanDerWaalsContact O-N 3.14Å; L84-D86 VanDerWaalsContact C-N 3.33Å; D86-F88 VanDerWaalsContact C-N 3.34Å; D86-F88 PolarHBondContact O-N 2.89Å; D86-K89 WeakPolarHBondContact O-CB 3.33Å; D86-K89 PolarHBondContact O-N 3.43Å; D86-K89 IonicContact OD1-NZ 3.79Å; D86-K89 PolarHBondContact OD1-NZ 3.13Å; D86-E90 PolarHBondContact O-N 3.37Å; D86-E90 VanDerWaalsContact O-N 3.17Å |
| 87 | E | 95.6 | Very high | 93.1 | Very high | 123 Ų | 123 | 90.1 Ų | 90.1 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.1 | -45.9 | 170.8 | -71.5 | 178.1 | -173.9 | 0 | 0 | 111.4 | Q83 K89 E90 V91 | Q83-E87 WeakPolarHBondContact O-CG 3.36Å; Q83-E87 PolarHBondContact O-N 3Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 3.43Å; E87-E90 PolarHBondContact O-N 2.97Å; E87-E90 VanDerWaalsContact O-N 3.16Å; E87-V91 WeakPolarHBondContact O-CG2 3.28Å; E87-V91 PolarHBondContact O-N 2.95Å |
| 88 | F | 95.5 | Very high | 93 | Very high | 51 Ų | 51 | 88.6 Ų | 88.6 | 22% | 0.224 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 176 | 172.5 | -95 | 0 | 0 | 0 | 112.2 | Y54 L55 F58 L59 L84 D86 E90 H92 | Y54-F88 HydrophobicContact CE1-CZ 4.17Å; L55-F88 HydrophobicContact CD2-CE1 3.95Å; L55-F88 HydrophobicContact CD2-CZ 4.41Å; F58-F88 HydrophobicContact CB-CD1 4.1Å; F58-F88 HydrophobicContact CB-CE1 3.76Å; F58-F88 HydrophobicContact CB-CE2 4.48Å; F58-F88 HydrophobicContact CB-CZ 3.97Å; F58-F88 HydrophobicContact CD2-CE1 4.18Å; F58-F88 HydrophobicContact CD2-CE2 4.15Å; F58-F88 AromaticContact CD2-CZ 3.61Å; F58-F88 HydrophobicContact CD2-CZ 3.61Å; F58-F88 HydrophobicContact CE2-CZ 4.32Å; F58-F88 HydrophobicContact CG-CE1 4.21Å; F58-F88 HydrophobicContact CG-CE2 4.2Å; F58-F88 AromaticContact CG-CZ 3.88Å; F58-F88 HydrophobicContact CG-CZ 3.88Å; L59-F88 HydrophobicContact CD2-CD1 3.83Å; L59-F88 HydrophobicContact CD2-CE1 4.28Å; L59-F88 HydrophobicContact CG-CD1 4.32Å; L59-F88 HydrophobicContact CG-CE1 4.27Å; L84-F88 WeakPolarHBondContact O-CB 3.2Å; L84-F88 PolarHBondContact O-N 2.77Å; D86-F88 VanDerWaalsContact C-N 3.34Å; D86-F88 PolarHBondContact O-N 2.89Å; F88-E90 VanDerWaalsContact C-N 3.27Å; F88-E90 PolarHBondContact O-N 3.27Å; F88-H92 HydrophobicContact CE1-CB 4.37Å; F88-H92 HydrophobicContact CZ-CB 4.31Å; F88-H92 WeakPolarHBondContact O-CB 3.35Å; F88-H92 PolarHBondContact O-N 2.91Å |
| 89 | K | 94.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 92.3 Ų | 92.3 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 177.3 | -72.7 | 166.6 | -158.6 | 159.8 | 0 | 111 | L59 M85 D86 E87 R93 | L59-K89 HydrophobicContact CD1-CG 4.04Å; L59-K89 HydrophobicContact CD2-CD 4.34Å; L59-K89 HydrophobicContact CD2-CG 3.79Å; M85-K89 VanDerWaalsContact O-CG 3.28Å; M85-K89 WeakPolarHBondContact O-CG 3.45Å; M85-K89 PolarHBondContact O-N 2.96Å; D86-K89 WeakPolarHBondContact O-CB 3.33Å; D86-K89 PolarHBondContact O-N 3.43Å; D86-K89 IonicContact OD1-NZ 3.79Å; D86-K89 PolarHBondContact OD1-NZ 3.13Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 3.43Å; K89-R93 WeakPolarHBondContact O-CB 3.36Å; K89-R93 WeakPolarHBondContact O-CD 3.27Å; K89-R93 WeakPolarHBondContact O-CG 3.47Å; K89-R93 PolarHBondContact O-N 2.91Å |
| 90 | E | 94.9 | Very high | 92.7 | Very high | 98 Ų | 98 | 91.7 Ų | 91.7 | 46% | 0.458 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71 | -49 | -177.2 | -164.3 | 54.9 | -151 | 0 | 0 | 111.8 | D86 E87 F88 H92 R93 E94 | D86-E90 PolarHBondContact O-N 3.37Å; D86-E90 VanDerWaalsContact O-N 3.17Å; E87-E90 PolarHBondContact O-N 2.97Å; E87-E90 VanDerWaalsContact O-N 3.16Å; F88-E90 VanDerWaalsContact C-N 3.27Å; F88-E90 PolarHBondContact O-N 3.27Å; E90-H92 VanDerWaalsContact C-N 3.31Å; E90-H92 PolarHBondContact O-N 2.96Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 2.99Å; E90-R93 IonicContact OE2-NH1 2.66Å; E90-R93 PolarHBondContact OE2-NH1 3.27Å; E90-R93 VanDerWaalsContact OE2-NH1 3.13Å; E90-E94 PolarHBondContact O-N 3.46Å |
| 91 | V | 95.6 | Very high | 92.3 | Very high | 98 Ų | 98 | 92.2 Ų | 92.2 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.6 | -42.8 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | E87 R93 E94 Y95 | E87-V91 WeakPolarHBondContact O-CG2 3.28Å; E87-V91 PolarHBondContact O-N 2.95Å; V91-R93 PolarHBondContact O-N 3.3Å; V91-E94 PolarHBondContact O-N 2.84Å; V91-Y95 WeakPolarHBondContact O-CB 3Å; V91-Y95 PolarHBondContact O-N 2.95Å |
| 92 | H | 94.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 92.6 Ų | 92.6 | 10% | 0.102 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 179 | -176.1 | 69.9 | 0 | 0 | 0 | 112.4 | Y54 F88 E90 E94 Y95 E96 | Y54-H92 AromaticContact CE1-CE1 3.69Å; Y54-H92 AromaticContact CE1-ND1 3.95Å; F88-H92 HydrophobicContact CE1-CB 4.37Å; F88-H92 HydrophobicContact CZ-CB 4.31Å; F88-H92 WeakPolarHBondContact O-CB 3.35Å; F88-H92 PolarHBondContact O-N 2.91Å; E90-H92 VanDerWaalsContact C-N 3.31Å; E90-H92 PolarHBondContact O-N 2.96Å; H92-E94 VanDerWaalsContact C-N 3.35Å; H92-Y95 PolarHBondContact O-N 3.35Å; H92-E96 IonicContact CE1-OE1 2.65Å; H92-E96 WeakPolarHBondContact O-CB 3.39Å; H92-E96 WeakPolarHBondContact O-CG 3.49Å; H92-E96 PolarHBondContact O-N 3.36Å |
| 93 | R | 93.3 | Very high | 91.5 | Very high | 142 Ų | 142 | 93.8 Ų | 93.8 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 173.5 | -76.8 | 168 | -173.2 | 156.9 | 0.8 | 111.7 | K89 E90 V91 R97 | K89-R93 WeakPolarHBondContact O-CB 3.36Å; K89-R93 WeakPolarHBondContact O-CD 3.27Å; K89-R93 WeakPolarHBondContact O-CG 3.47Å; K89-R93 PolarHBondContact O-N 2.91Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 2.99Å; E90-R93 IonicContact OE2-NH1 2.66Å; E90-R93 PolarHBondContact OE2-NH1 3.27Å; E90-R93 VanDerWaalsContact OE2-NH1 3.13Å; V91-R93 PolarHBondContact O-N 3.3Å; R93-R97 WeakPolarHBondContact O-CB 3.32Å; R93-R97 PolarHBondContact O-N 2.87Å; R93-R97 VanDerWaalsContact O-N 3.09Å |
| 94 | E | 93.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 90.8 Ų | 90.8 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 176.6 | -171.6 | 173.6 | -167.6 | 0 | 0 | 111.8 | E90 V91 H92 R97 T98 | E90-E94 PolarHBondContact O-N 3.46Å; V91-E94 PolarHBondContact O-N 2.84Å; H92-E94 VanDerWaalsContact C-N 3.35Å; E94-R97 PolarHBondContact O-N 3.41Å; E94-T98 WeakPolarHBondContact O-CG2 3.38Å; E94-T98 PolarHBondContact O-N 3.33Å; E94-T98 PolarHBondContact O-OG1 2.95Å; E94-T98 VanDerWaalsContact O-OG1 3.06Å |
| 95 | Y | 93.8 | Very high | 89.9 | Confident | 132 Ų | 132 | 87.3 Ų | 87.3 | 52% | 0.518 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 173.6 | 173.9 | -97.3 | 0 | 0 | 0 | 112.4 | V91 H92 R97 T98 R99 | V91-Y95 WeakPolarHBondContact O-CB 3Å; V91-Y95 PolarHBondContact O-N 2.95Å; H92-Y95 PolarHBondContact O-N 3.35Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-R97 PolarHBondContact O-N 2.94Å; Y95-T98 WeakPolarHBondContact CA-OG1 3.35Å; Y95-T98 PolarHBondContact O-N 3.14Å; Y95-T98 PolarHBondContact O-OG1 2.9Å; Y95-R99 VanDerWaalsContact O-CB 3.3Å; Y95-R99 WeakPolarHBondContact O-CB 3.31Å; Y95-R99 PolarHBondContact O-N 3.2Å |
| 96 | E | 90.8 | Very high | 89.2 | Confident | 32 Ų | 32 | 87.4 Ų | 87.4 | 15% | 0.15 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 178.8 | -76.1 | -76.9 | 129.5 | 0 | 0 | 112 | K51 H92 Q100 | K51-E96 WeakPolarHBondContact CE-OE2 3.44Å; K51-E96 IonicContact NZ-OE2 2.7Å; K51-E96 PolarHBondContact NZ-OE2 3.37Å; H92-E96 IonicContact CE1-OE1 2.65Å; H92-E96 WeakPolarHBondContact O-CB 3.39Å; H92-E96 WeakPolarHBondContact O-CG 3.49Å; H92-E96 PolarHBondContact O-N 3.36Å; E96-Q100 WeakPolarHBondContact O-CG 3.15Å; E96-Q100 PolarHBondContact O-N 3.41Å |
| 97 | R | 90 | Very high | 88.6 | Confident | 139 Ų | 139 | 86 Ų | 86 | 53% | 0.525 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 175.8 | -170.6 | -170.9 | -61.7 | 115.2 | -1.7 | 111.5 | R93 E94 Y95 Q100 L101 | R93-R97 WeakPolarHBondContact O-CB 3.32Å; R93-R97 PolarHBondContact O-N 2.87Å; R93-R97 VanDerWaalsContact O-N 3.09Å; E94-R97 PolarHBondContact O-N 3.41Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-R97 PolarHBondContact O-N 2.94Å; R97-Q100 PolarHBondContact O-N 2.75Å; R97-L101 WeakPolarHBondContact O-CG 3.27Å; R97-L101 PolarHBondContact O-N 2.84Å; R97-L101 VanDerWaalsContact O-N 3.16Å |
| 98 | T | 89.4 | Confident | 88 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.7 | -38 | 179.4 | 50.6 | 0 | 0 | 0 | 0 | 112 | E94 Y95 L101 A102 | E94-T98 WeakPolarHBondContact O-CG2 3.38Å; E94-T98 PolarHBondContact O-N 3.33Å; E94-T98 PolarHBondContact O-OG1 2.95Å; E94-T98 VanDerWaalsContact O-OG1 3.06Å; Y95-T98 WeakPolarHBondContact CA-OG1 3.35Å; Y95-T98 PolarHBondContact O-N 3.14Å; Y95-T98 PolarHBondContact O-OG1 2.9Å; T98-L101 PolarHBondContact O-N 3.31Å; T98-A102 WeakPolarHBondContact O-CB 3.33Å; T98-A102 PolarHBondContact O-N 3.48Å |
| 99 | R | 88.3 | Confident | 87.5 | Confident | 115 Ų | 115 | 86.6 Ų | 86.6 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 173.4 | -179.7 | -176.7 | 163 | -177.6 | -1.2 | 112.2 | Y95 L101 A102 E103 | Y95-R99 VanDerWaalsContact O-CB 3.3Å; Y95-R99 WeakPolarHBondContact O-CB 3.31Å; Y95-R99 PolarHBondContact O-N 3.2Å; R99-L101 VanDerWaalsContact C-N 3.29Å; R99-L101 PolarHBondContact O-N 2.89Å; R99-A102 WeakPolarHBondContact O-CB 3.42Å; R99-A102 PolarHBondContact O-N 3.23Å; R99-A102 VanDerWaalsContact O-N 3.12Å; R99-E103 IonicContact CZ-OE1 3.47Å; R99-E103 IonicContact NE-OE1 3.9Å; R99-E103 PolarHBondContact NE-OE1 3.35Å; R99-E103 IonicContact NH2-OE1 2.75Å; R99-E103 PolarHBondContact NH2-OE1 2.95Å; R99-E103 VanDerWaalsContact NH2-OE1 3.14Å; R99-E103 WeakPolarHBondContact O-CG 3.37Å; R99-E103 PolarHBondContact O-N 2.92Å |
| 100 | Q | 85.8 | Confident | 87.2 | Confident | 123 Ų | 123 | 90 Ų | 90 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 177.1 | -74.5 | 176.1 | -1.9 | 0 | 0 | 112.1 | E96 R97 A104 | E96-Q100 WeakPolarHBondContact O-CG 3.15Å; E96-Q100 PolarHBondContact O-N 3.41Å; R97-Q100 PolarHBondContact O-N 2.75Å; Q100-A104 PolarHBondContact O-N 2.96Å |
| 101 | L | 84 | Confident | 86.9 | Confident | 117 Ų | 117 | 90.1 Ų | 90.1 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.2 | -37.9 | 174.2 | -70.3 | 170 | 0 | 0 | 0 | 112.1 | R97 T98 R99 A104 G105 | R97-L101 WeakPolarHBondContact O-CG 3.27Å; R97-L101 PolarHBondContact O-N 2.84Å; R97-L101 VanDerWaalsContact O-N 3.16Å; T98-L101 PolarHBondContact O-N 3.31Å; R99-L101 VanDerWaalsContact C-N 3.29Å; R99-L101 PolarHBondContact O-N 2.89Å; L101-A104 PolarHBondContact O-N 3.46Å; L101-G105 PolarHBondContact O-N 3.04Å |
| 102 | A | 83.1 | Confident | 86.7 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 56% | 0.562 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.7 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T98 R99 G105 G106 | T98-A102 WeakPolarHBondContact O-CB 3.33Å; T98-A102 PolarHBondContact O-N 3.48Å; R99-A102 WeakPolarHBondContact O-CB 3.42Å; R99-A102 PolarHBondContact O-N 3.23Å; R99-A102 VanDerWaalsContact O-N 3.12Å; A102-G105 CarbonylContact O-C 3.59Å; A102-G105 PolarHBondContact O-N 3.24Å; A102-G106 PolarHBondContact O-N 2.94Å |
| 103 | E | 82.1 | Confident | 86.6 | Confident | 111 Ų | 111 | 93 Ų | 93 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 174 | -73.2 | 173 | -177.8 | 0 | 0 | 111 | R99 G106 | R99-E103 IonicContact CZ-OE1 3.47Å; R99-E103 IonicContact NE-OE1 3.9Å; R99-E103 PolarHBondContact NE-OE1 3.35Å; R99-E103 IonicContact NH2-OE1 2.75Å; R99-E103 PolarHBondContact NH2-OE1 2.95Å; R99-E103 VanDerWaalsContact NH2-OE1 3.14Å; R99-E103 WeakPolarHBondContact O-CG 3.37Å; R99-E103 PolarHBondContact O-N 2.92Å; E103-G106 PolarHBondContact O-N 3.4Å |
| 104 | A | 78.2 | Confident | 86.6 | Confident | 58 Ų | 58 | 88.3 Ų | 88.3 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q100 L101 G106 S107 | Q100-A104 PolarHBondContact O-N 2.96Å; L101-A104 PolarHBondContact O-N 3.46Å; A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 3.18Å; A104-S107 PolarHBondContact O-N 2.94Å; A104-S107 PolarHBondContact O-OG 3.11Å |
| 105 | G | 76.6 | Confident | 86.6 | Confident | 34 Ų | 34 | 89.1 Ų | 89.1 | 35% | 0.351 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.4 | -26.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L101 A102 S107 V108 H109 | L101-G105 PolarHBondContact O-N 3.04Å; A102-G105 CarbonylContact O-C 3.59Å; A102-G105 PolarHBondContact O-N 3.24Å; G105-S107 VanDerWaalsContact C-N 3.34Å; G105-S107 PolarHBondContact O-N 3.24Å; G105-V108 PolarHBondContact O-N 3.4Å; G105-H109 WeakPolarHBondContact O-CB 3.22Å; G105-H109 PolarHBondContact O-N 3.48Å |
| 106 | G | 80.1 | Confident | 86.7 | Confident | 32 Ų | 32 | 87.6 Ų | 87.6 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A102 E103 A104 H109 Q110 | A102-G106 PolarHBondContact O-N 2.94Å; E103-G106 PolarHBondContact O-N 3.4Å; A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 3.18Å; G106-H109 PolarHBondContact O-N 3.27Å; G106-Q110 WeakPolarHBondContact O-CG 3.25Å; G106-Q110 PolarHBondContact O-N 3.44Å; G106-Q110 VanDerWaalsContact O-N 3.09Å |
| 107 | S | 79.6 | Confident | 86.8 | Confident | 63 Ų | 63 | 89.2 Ų | 89.2 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 174.7 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | A104 G105 H109 Q110 D111 | A104-S107 PolarHBondContact O-N 2.94Å; A104-S107 PolarHBondContact O-OG 3.11Å; G105-S107 VanDerWaalsContact C-N 3.34Å; G105-S107 PolarHBondContact O-N 3.24Å; S107-H109 VanDerWaalsContact C-N 3.32Å; S107-H109 PolarHBondContact O-N 2.8Å; S107-Q110 PolarHBondContact O-N 3.5Å; S107-D111 PolarHBondContact O-N 3.47Å |
| 108 | V | 84.2 | Confident | 86.9 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 178 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | G105 D111 I112 | G105-V108 PolarHBondContact O-N 3.4Å; V108-D111 PolarHBondContact O-N 2.87Å; V108-I112 HydrophobicContact CG1-CD1 3.83Å; V108-I112 HydrophobicContact CG1-CG1 4.34Å; V108-I112 WeakPolarHBondContact O-CB 3.31Å; V108-I112 WeakPolarHBondContact O-CG1 3.29Å; V108-I112 PolarHBondContact O-N 3.5Å |
| 109 | H | 84.9 | Confident | 87.2 | Confident | 108 Ų | 108 | 91 Ų | 91 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 176.9 | -169.3 | 56.2 | 0 | 0 | 0 | 111.5 | G105 G106 S107 D111 I112 E113 | G105-H109 WeakPolarHBondContact O-CB 3.22Å; G105-H109 PolarHBondContact O-N 3.48Å; G106-H109 PolarHBondContact O-N 3.27Å; S107-H109 VanDerWaalsContact C-N 3.32Å; S107-H109 PolarHBondContact O-N 2.8Å; H109-D111 VanDerWaalsContact C-N 3.33Å; H109-D111 PolarHBondContact O-N 3.25Å; H109-I112 PolarHBondContact O-N 2.92Å; H109-E113 IonicContact CD2-OE1 2.66Å; H109-E113 IonicContact CE1-OE1 3.1Å; H109-E113 IonicContact NE2-OE1 3.43Å; H109-E113 PolarHBondContact NE2-OE1 3.35Å; H109-E113 WeakPolarHBondContact O-CG 3.5Å; H109-E113 PolarHBondContact O-N 2.88Å |
| 110 | Q | 88.5 | Confident | 87.5 | Confident | 136 Ų | 136 | 88.5 Ų | 88.5 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -42.4 | 173.8 | -71.2 | 174.4 | 5.9 | 0 | 0 | 111.7 | G106 S107 E113 A114 | G106-Q110 WeakPolarHBondContact O-CG 3.25Å; G106-Q110 PolarHBondContact O-N 3.44Å; G106-Q110 VanDerWaalsContact O-N 3.09Å; S107-Q110 PolarHBondContact O-N 3.5Å; Q110-E113 PolarHBondContact O-N 2.71Å; Q110-A114 WeakPolarHBondContact O-CB 3.44Å; Q110-A114 PolarHBondContact O-N 2.82Å |
| 111 | D | 89.3 | Confident | 87.9 | Confident | 100 Ų | 100 | 86.8 Ų | 86.8 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.6 | -72.9 | -11.3 | 0 | 0 | 0 | 111.7 | S107 V108 H109 A114 M115 | S107-D111 PolarHBondContact O-N 3.47Å; V108-D111 PolarHBondContact O-N 2.87Å; H109-D111 VanDerWaalsContact C-N 3.33Å; H109-D111 PolarHBondContact O-N 3.25Å; D111-A114 PolarHBondContact O-N 3.33Å; D111-M115 WeakPolarHBondContact O-CB 3.44Å; D111-M115 VanDerWaalsContact O-CG 3.25Å; D111-M115 WeakPolarHBondContact O-CG 3.37Å; D111-M115 PolarHBondContact O-N 3.39Å |
| 112 | I | 90 | Very high | 88.3 | Confident | 76 Ų | 76 | 86 Ų | 86 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 175.4 | -72.5 | 165.9 | 0 | 0 | 0 | 110.4 | V108 H109 A114 M115 E116 | V108-I112 HydrophobicContact CG1-CD1 3.83Å; V108-I112 HydrophobicContact CG1-CG1 4.34Å; V108-I112 WeakPolarHBondContact O-CB 3.31Å; V108-I112 WeakPolarHBondContact O-CG1 3.29Å; V108-I112 PolarHBondContact O-N 3.5Å; H109-I112 PolarHBondContact O-N 2.92Å; I112-A114 VanDerWaalsContact C-N 3.3Å; I112-A114 PolarHBondContact O-N 3.37Å; I112-M115 PolarHBondContact O-N 2.94Å; I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact O-CB 3.43Å; I112-E116 VanDerWaalsContact O-CG 3.31Å; I112-E116 WeakPolarHBondContact O-CG 3.37Å; I112-E116 PolarHBondContact O-N 2.96Å |
| 113 | E | 92.7 | Very high | 88.9 | Confident | 104 Ų | 104 | 85.4 Ų | 85.4 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.7 | -73.7 | -176.5 | 160.7 | 0 | 0 | 111.5 | H109 Q110 E116 S117 | H109-E113 IonicContact CD2-OE1 2.66Å; H109-E113 IonicContact CE1-OE1 3.1Å; H109-E113 IonicContact NE2-OE1 3.43Å; H109-E113 PolarHBondContact NE2-OE1 3.35Å; H109-E113 WeakPolarHBondContact O-CG 3.5Å; H109-E113 PolarHBondContact O-N 2.88Å; Q110-E113 PolarHBondContact O-N 2.71Å; E113-E116 PolarHBondContact O-N 3.5Å; E113-S117 PolarHBondContact O-N 2.92Å |
| 114 | A | 92.5 | Very high | 89.4 | Confident | 43 Ų | 43 | 88 Ų | 88 | 36% | 0.355 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q110 D111 I112 E116 S117 E118 | Q110-A114 WeakPolarHBondContact O-CB 3.44Å; Q110-A114 PolarHBondContact O-N 2.82Å; D111-A114 PolarHBondContact O-N 3.33Å; I112-A114 VanDerWaalsContact C-N 3.3Å; I112-A114 PolarHBondContact O-N 3.37Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 PolarHBondContact O-N 3.27Å; A114-S117 PolarHBondContact O-N 3.24Å; A114-S117 PolarHBondContact O-OG 3.02Å; A114-E118 WeakPolarHBondContact O-CG 3.43Å; A114-E118 PolarHBondContact O-N 2.91Å |
| 115 | M | 94.2 | Very high | 90.1 | Very high | 129 Ų | 129 | 90.9 Ų | 90.9 | 64% | 0.635 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.7 | -36.1 | 177.8 | -73.1 | -179.5 | 71.1 | 0 | 0 | 112.9 | D111 I112 R119 | D111-M115 WeakPolarHBondContact O-CB 3.44Å; D111-M115 VanDerWaalsContact O-CG 3.25Å; D111-M115 WeakPolarHBondContact O-CG 3.37Å; D111-M115 PolarHBondContact O-N 3.39Å; I112-M115 PolarHBondContact O-N 2.94Å; M115-R119 VanDerWaalsContact O-CB 3.3Å; M115-R119 WeakPolarHBondContact O-CB 3.19Å; M115-R119 PolarHBondContact O-N 2.96Å |
| 116 | E | 95.5 | Very high | 90.8 | Very high | 99 Ų | 99 | 93 Ų | 93 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 175.7 | -76.3 | -176.4 | 165 | 0 | 0 | 111.7 | I112 E113 A114 R119 D120 | I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact O-CB 3.43Å; I112-E116 VanDerWaalsContact O-CG 3.31Å; I112-E116 WeakPolarHBondContact O-CG 3.37Å; I112-E116 PolarHBondContact O-N 2.96Å; E113-E116 PolarHBondContact O-N 3.5Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 PolarHBondContact O-N 3.27Å; E116-R119 WeakPolarHBondContact O-CB 3.14Å; E116-R119 PolarHBondContact O-N 3.34Å; E116-D120 PolarHBondContact O-N 3.43Å |
| 117 | S | 93.2 | Very high | 91.4 | Very high | 66 Ų | 66 | 95.5 Ų | 95.5 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.4 | 80.8 | 0 | 0 | 0 | 0 | 111.8 | E113 A114 D120 V121 | E113-S117 PolarHBondContact O-N 2.92Å; A114-S117 PolarHBondContact O-N 3.24Å; A114-S117 PolarHBondContact O-OG 3.02Å; S117-D120 PolarHBondContact O-N 2.88Å; S117-V121 WeakPolarHBondContact O-CG2 3.44Å; S117-V121 PolarHBondContact O-N 2.84Å; S117-V121 VanDerWaalsContact O-N 3.1Å |
| 118 | E | 92.8 | Very high | 91.9 | Very high | 119 Ų | 119 | 97.9 Ų | 97.9 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 175.5 | -74 | -176.4 | -172 | 0 | 0 | 111.4 | A114 D120 V121 I122 | A114-E118 WeakPolarHBondContact O-CG 3.43Å; A114-E118 PolarHBondContact O-N 2.91Å; E118-D120 VanDerWaalsContact C-N 3.27Å; E118-D120 PolarHBondContact O-N 3.34Å; E118-V121 PolarHBondContact O-N 3.4Å; E118-I122 WeakPolarHBondContact O-CB 3.1Å; E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.45Å; E118-I122 PolarHBondContact O-N 3.49Å |
| 119 | R | 96.5 | Very high | 92.2 | Very high | 132 Ų | 132 | 98.2 Ų | 98.2 | 50% | 0.498 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.4 | -43.7 | 174 | 177.7 | -139 | 59.2 | -157.5 | -11.1 | 111 | M115 E116 I122 S123 | M115-R119 VanDerWaalsContact O-CB 3.3Å; M115-R119 WeakPolarHBondContact O-CB 3.19Å; M115-R119 PolarHBondContact O-N 2.96Å; E116-R119 WeakPolarHBondContact O-CB 3.14Å; E116-R119 PolarHBondContact O-N 3.34Å; R119-I122 PolarHBondContact O-N 2.88Å; R119-S123 WeakPolarHBondContact O-CB 3.29Å; R119-S123 PolarHBondContact O-N 3.32Å |
| 120 | D | 94.2 | Very high | 92.4 | Very high | 61 Ų | 61 | 98.3 Ų | 98.3 | 33% | 0.326 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 179.6 | -77.3 | -16.9 | 0 | 0 | 0 | 113.7 | E116 S117 E118 R124 | E116-D120 PolarHBondContact O-N 3.43Å; S117-D120 PolarHBondContact O-N 2.88Å; E118-D120 VanDerWaalsContact C-N 3.27Å; E118-D120 PolarHBondContact O-N 3.34Å; D120-R124 WeakPolarHBondContact O-CB 3.37Å; D120-R124 VanDerWaalsContact O-CG 3.31Å; D120-R124 WeakPolarHBondContact O-CG 3.18Å; D120-R124 PolarHBondContact O-N 3.44Å; D120-R124 VanDerWaalsContact O-N 3.1Å; D120-R124 PolarHBondContact O-NE 3.42Å; D120-R124 VanDerWaalsContact O-NE 3.15Å |
| 121 | V | 93.1 | Very high | 92.4 | Very high | 88 Ų | 88 | 98.3 Ų | 98.3 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -47.8 | 173.5 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | S117 E118 R124 R125 | S117-V121 WeakPolarHBondContact O-CG2 3.44Å; S117-V121 PolarHBondContact O-N 2.84Å; S117-V121 VanDerWaalsContact O-N 3.1Å; E118-V121 PolarHBondContact O-N 3.4Å; V121-R124 PolarHBondContact O-N 2.81Å; V121-R125 WeakPolarHBondContact O-CB 3.36Å; V121-R125 PolarHBondContact O-N 3.21Å |
| 122 | I | 93.9 | Very high | 92.3 | Very high | 100 Ų | 100 | 97.8 Ų | 97.8 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 179.2 | -67.3 | 167.3 | 0 | 0 | 0 | 110.6 | E118 R119 R124 R125 V126 | E118-I122 WeakPolarHBondContact O-CB 3.1Å; E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.45Å; E118-I122 PolarHBondContact O-N 3.49Å; R119-I122 PolarHBondContact O-N 2.88Å; I122-R124 PolarHBondContact O-N 2.86Å; I122-R125 PolarHBondContact O-N 3.34Å; I122-V126 HydrophobicContact CG2-CG2 4.06Å; I122-V126 WeakPolarHBondContact O-CB 3.35Å; I122-V126 VanDerWaalsContact O-CG2 3.27Å; I122-V126 WeakPolarHBondContact O-CG2 3.39Å; I122-V126 PolarHBondContact O-N 3.37Å |
| 123 | S | 94.1 | Very high | 92.1 | Very high | 55 Ų | 55 | 95.7 Ų | 95.7 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | R119 R125 V126 N127 | R119-S123 WeakPolarHBondContact O-CB 3.29Å; R119-S123 PolarHBondContact O-N 3.32Å; S123-R125 VanDerWaalsContact C-N 3.34Å; S123-R125 PolarHBondContact O-N 2.78Å; S123-V126 PolarHBondContact O-N 3.48Å; S123-N127 WeakPolarHBondContact O-CB 3.42Å; S123-N127 VanDerWaalsContact O-CG 3.25Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact O-ND2 2.84Å |
| 124 | R | 94.3 | Very high | 91.9 | Very high | 165 Ų | 165 | 95.1 Ų | 95.1 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 174.4 | -77.9 | -178.1 | -94.7 | 179.2 | -11 | 112 | D120 V121 I122 R128 | D120-R124 WeakPolarHBondContact O-CB 3.37Å; D120-R124 VanDerWaalsContact O-CG 3.31Å; D120-R124 WeakPolarHBondContact O-CG 3.18Å; D120-R124 PolarHBondContact O-N 3.44Å; D120-R124 VanDerWaalsContact O-N 3.1Å; D120-R124 PolarHBondContact O-NE 3.42Å; D120-R124 VanDerWaalsContact O-NE 3.15Å; V121-R124 PolarHBondContact O-N 2.81Å; I122-R124 PolarHBondContact O-N 2.86Å; R124-R128 PolarHBondContact O-N 3.06Å; R124-R128 VanDerWaalsContact O-N 3.1Å |
| 125 | R | 92.2 | Very high | 91.5 | Very high | 120 Ų | 120 | 100.2 Ų | 100.2 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 177.3 | -175.4 | 178.2 | 179.1 | -179.1 | 2.2 | 112.1 | V121 I122 S123 R128 L129 | V121-R125 WeakPolarHBondContact O-CB 3.36Å; V121-R125 PolarHBondContact O-N 3.21Å; I122-R125 PolarHBondContact O-N 3.34Å; S123-R125 VanDerWaalsContact C-N 3.34Å; S123-R125 PolarHBondContact O-N 2.78Å; R125-R128 PolarHBondContact O-N 2.87Å; R125-L129 HydrophobicContact CG-CD1 4.07Å; R125-L129 WeakPolarHBondContact O-CG 3.35Å; R125-L129 PolarHBondContact O-N 2.92Å |
| 126 | V | 91.8 | Very high | 91 | Very high | 79 Ų | 79 | 95.7 Ų | 95.7 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.8 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | I122 S123 R128 L129 K130 | I122-V126 HydrophobicContact CG2-CG2 4.06Å; I122-V126 WeakPolarHBondContact O-CB 3.35Å; I122-V126 VanDerWaalsContact O-CG2 3.27Å; I122-V126 WeakPolarHBondContact O-CG2 3.39Å; I122-V126 PolarHBondContact O-N 3.37Å; S123-V126 PolarHBondContact O-N 3.48Å; V126-R128 VanDerWaalsContact C-N 3.33Å; V126-R128 PolarHBondContact O-N 3.31Å; V126-L129 PolarHBondContact O-N 3.39Å; V126-K130 WeakPolarHBondContact O-CB 3.44Å; V126-K130 PolarHBondContact O-N 3.37Å |
| 127 | N | 92.6 | Very high | 90.4 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 177.9 | -72.4 | -28.3 | 0 | 0 | 0 | 111.8 | S123 K130 M131 | S123-N127 WeakPolarHBondContact O-CB 3.42Å; S123-N127 VanDerWaalsContact O-CG 3.25Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact O-ND2 2.84Å; N127-K130 PolarHBondContact O-N 3.09Å; N127-M131 WeakPolarHBondContact O-CG 3.47Å; N127-M131 PolarHBondContact O-N 3.27Å |
| 128 | R | 90.1 | Very high | 90.1 | Very high | 114 Ų | 114 | 99 Ų | 99 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -49.5 | 176.3 | -169.5 | -169.7 | -59.2 | -165.2 | -1.7 | 111.9 | R124 R125 V126 K130 M131 Q132 D266 | R124-R128 PolarHBondContact O-N 3.06Å; R124-R128 VanDerWaalsContact O-N 3.1Å; R125-R128 PolarHBondContact O-N 2.87Å; V126-R128 VanDerWaalsContact C-N 3.33Å; V126-R128 PolarHBondContact O-N 3.31Å; R128-K130 VanDerWaalsContact C-N 3.35Å; R128-M131 PolarHBondContact O-N 2.79Å; R128-Q132 WeakPolarHBondContact O-CG 3.48Å; R128-Q132 PolarHBondContact O-N 3.29Å; R128-D266 IonicContact CZ-OD1 2.82Å; R128-D266 IonicContact NH1-OD1 2.97Å; R128-D266 PolarHBondContact NH1-OD1 2.97Å |
| 129 | L | 89.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 94.1 Ų | 94.1 | 45% | 0.445 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 179.7 | -70.8 | 173.4 | 0 | 0 | 0 | 112 | R125 V126 Q132 A133 | R125-L129 HydrophobicContact CG-CD1 4.07Å; R125-L129 WeakPolarHBondContact O-CG 3.35Å; R125-L129 PolarHBondContact O-N 2.92Å; V126-L129 PolarHBondContact O-N 3.39Å; L129-Q132 PolarHBondContact O-N 3.09Å; L129-A133 WeakPolarHBondContact O-CB 3.44Å; L129-A133 PolarHBondContact O-N 3.05Å |
| 130 | K | 89.3 | Confident | 89.4 | Confident | 110 Ų | 110 | 93.6 Ų | 93.6 | 48% | 0.478 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 176.4 | -175.4 | 176.2 | 173.7 | -179.5 | 0 | 111 | V126 N127 R128 Q132 A133 E134 | V126-K130 WeakPolarHBondContact O-CB 3.44Å; V126-K130 PolarHBondContact O-N 3.37Å; N127-K130 PolarHBondContact O-N 3.09Å; R128-K130 VanDerWaalsContact C-N 3.35Å; K130-Q132 VanDerWaalsContact C-N 3.29Å; K130-Q132 PolarHBondContact O-N 2.82Å; K130-A133 PolarHBondContact O-N 3.2Å; K130-E134 WeakPolarHBondContact CE-OE1 3.4Å; K130-E134 HydrophobicContact CG-CG 4.32Å; K130-E134 IonicContact NZ-OE1 3.3Å; K130-E134 WeakPolarHBondContact O-CB 3.38Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.31Å |
| 131 | M | 88.6 | Confident | 89.2 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.3 | -40.5 | 175.8 | -73.9 | -179.9 | 176.1 | 0 | 0 | 112.3 | N127 R128 | N127-M131 WeakPolarHBondContact O-CG 3.47Å; N127-M131 PolarHBondContact O-N 3.27Å; R128-M131 PolarHBondContact O-N 2.79Å |
| 132 | Q | 87.4 | Confident | 89.1 | Confident | 89 Ų | 89 | 98.1 Ų | 98.1 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.8 | -71.9 | 179.2 | -24.9 | 0 | 0 | 112.5 | R128 L129 K130 L135 L269 | R128-Q132 WeakPolarHBondContact O-CG 3.48Å; R128-Q132 PolarHBondContact O-N 3.29Å; L129-Q132 PolarHBondContact O-N 3.09Å; K130-Q132 VanDerWaalsContact C-N 3.29Å; K130-Q132 PolarHBondContact O-N 2.82Å; Q132-L135 WeakPolarHBondContact O-CB 3.35Å; Q132-L135 PolarHBondContact O-N 2.8Å; Q132-L269 VanDerWaalsContact NE2-CD1 3.35Å |
| 133 | A | 85.7 | Confident | 88.9 | Confident | 32 Ų | 32 | 96.7 Ų | 96.7 | 26% | 0.264 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.3 | -25.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L129 K130 L135 A136 S139 F143 | L129-A133 WeakPolarHBondContact O-CB 3.44Å; L129-A133 PolarHBondContact O-N 3.05Å; K130-A133 PolarHBondContact O-N 3.2Å; A133-L135 PolarHBondContact O-N 3.33Å; A133-A136 WeakPolarHBondContact O-CB 3.28Å; A133-A136 PolarHBondContact O-N 3.16Å; A133-A136 VanDerWaalsContact O-N 3.17Å; A133-S139 WeakPolarHBondContact O-CB 3.45Å; A133-F143 HydrophobicContact CB-CE1 3.53Å; A133-F143 HydrophobicContact CB-CZ 3.39Å |
| 134 | E | 87.9 | Confident | 88.8 | Confident | 92 Ų | 92 | 98 Ų | 98 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.7 | 171.8 | -77.5 | 176.4 | 172.4 | 0 | 0 | 113.3 | K130 A136 F143 | K130-E134 WeakPolarHBondContact CE-OE1 3.4Å; K130-E134 HydrophobicContact CG-CG 4.32Å; K130-E134 IonicContact NZ-OE1 3.3Å; K130-E134 WeakPolarHBondContact O-CB 3.38Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.31Å; E134-A136 PolarHBondContact O-N 3.17Å; E134-F143 HydrophobicContact CG-CE2 4.25Å |
| 135 | L | 85.8 | Confident | 88.8 | Confident | 150 Ų | 150 | 92.9 Ų | 92.9 | 79% | 0.785 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.2 | 171.5 | -63.1 | 170.5 | 0 | 0 | 0 | 112.7 | Q132 A133 | Q132-L135 WeakPolarHBondContact O-CB 3.35Å; Q132-L135 PolarHBondContact O-N 2.8Å; A133-L135 PolarHBondContact O-N 3.33Å |
| 136 | A | 83.1 | Confident | 88.8 | Confident | 35 Ų | 35 | 90.1 Ų | 90.1 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -75.1 | 139.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A133 E134 S139 | A133-A136 WeakPolarHBondContact O-CB 3.28Å; A133-A136 PolarHBondContact O-N 3.16Å; A133-A136 VanDerWaalsContact O-N 3.17Å; E134-A136 PolarHBondContact O-N 3.17Å; A136-S139 WeakPolarHBondContact O-CB 3.28Å; A136-S139 PolarHBondContact O-N 3.12Å |
| 137 | P | 83 | Confident | 88.9 | Confident | 116 Ų | 116 | 92.9 Ų | 92.9 | 75% | 0.753 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 142.7 | 171.9 | 27.7 | -33.6 | 0 | 0 | 0 | 110 | S139 | P137-S139 PolarHBondContact O-N 2.81Š|
| 138 | N | 85.7 | Confident | 89 | Confident | 117 Ų | 117 | 93.8 Ų | 93.8 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.2 | -177.4 | -55.2 | -11.4 | 0 | 0 | 0 | 113.9 | N140 E141 M142 | N138-N140 PolarHBondContact O-N 2.76Å; N138-N140 VanDerWaalsContact O-N 3.16Å; N138-E141 PolarHBondContact O-N 2.79Å; N138-E141 VanDerWaalsContact O-N 3.09Å; N138-M142 PolarHBondContact O-N 3.09Å |
| 139 | S | 87 | Confident | 89.3 | Confident | 17 Ų | 17 | 93.3 Ų | 93.3 | 12% | 0.119 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -49.6 | -42.8 | -178.3 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | A133 A136 P137 M142 F143 | A133-S139 WeakPolarHBondContact O-CB 3.45Å; A136-S139 WeakPolarHBondContact O-CB 3.28Å; A136-S139 PolarHBondContact O-N 3.12Å; P137-S139 PolarHBondContact O-N 2.81Å; S139-M142 PolarHBondContact O-N 2.78Å; S139-F143 WeakPolarHBondContact O-CB 3.38Å; S139-F143 WeakPolarHBondContact O-CD2 3.33Å; S139-F143 WeakPolarHBondContact O-CG 3.36Å; S139-F143 PolarHBondContact O-N 2.79Å |
| 140 | N | 87.8 | Confident | 89.6 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 65% | 0.652 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -45.8 | 178.4 | -72.4 | -30.2 | 0 | 0 | 0 | 113.7 | N138 M142 F143 E144 | N138-N140 PolarHBondContact O-N 2.76Å; N138-N140 VanDerWaalsContact O-N 3.16Å; N140-M142 VanDerWaalsContact C-N 3.32Å; N140-F143 PolarHBondContact O-N 3.31Å; N140-E144 PolarHBondContact O-N 3.41Å; N140-E144 VanDerWaalsContact O-N 3.09Å |
| 141 | E | 90.2 | Very high | 90 | Very high | 141 Ų | 141 | 95 Ų | 95 | 66% | 0.659 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.6 | -39.8 | 177.1 | -66 | 178.3 | 179.1 | 0 | 0 | 110.7 | N138 E144 A145 | N138-E141 PolarHBondContact O-N 2.79Å; N138-E141 VanDerWaalsContact O-N 3.09Å; E141-E144 PolarHBondContact O-N 2.8Å; E141-A145 WeakPolarHBondContact O-CB 3.49Å; E141-A145 PolarHBondContact O-N 3.19Å |
| 142 | M | 90.3 | Very high | 90.3 | Very high | 102 Ų | 102 | 94 Ų | 94 | 50% | 0.502 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.6 | -162.5 | -176.6 | 100.2 | 0 | 0 | 111.9 | N138 S139 N140 E144 A145 C146 | N138-M142 PolarHBondContact O-N 3.09Å; S139-M142 PolarHBondContact O-N 2.78Å; N140-M142 VanDerWaalsContact C-N 3.32Å; M142-E144 VanDerWaalsContact C-N 3.35Å; M142-A145 PolarHBondContact O-N 2.9Å; M142-C146 VanDerWaalsContact O-CB 3.29Å; M142-C146 WeakPolarHBondContact O-CB 3.42Å; M142-C146 PolarHBondContact O-N 3.38Å; M142-C146 PolarHBondContact O-SG 3.44Å |
| 143 | F | 91 | Very high | 90.7 | Very high | 70 Ų | 70 | 94 Ų | 94 | 31% | 0.307 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 176.2 | -69.3 | -43 | 0 | 0 | 0 | 111.8 | A133 E134 S139 N140 C146 R147 | A133-F143 HydrophobicContact CB-CE1 3.53Å; A133-F143 HydrophobicContact CB-CZ 3.39Å; E134-F143 HydrophobicContact CG-CE2 4.25Å; S139-F143 WeakPolarHBondContact O-CB 3.38Å; S139-F143 WeakPolarHBondContact O-CD2 3.33Å; S139-F143 WeakPolarHBondContact O-CG 3.36Å; S139-F143 PolarHBondContact O-N 2.79Å; N140-F143 PolarHBondContact O-N 3.31Å; F143-C146 PolarHBondContact O-N 3.31Å; F143-R147 VanDerWaalsContact O-CB 3.27Å; F143-R147 WeakPolarHBondContact O-CB 3.29Å; F143-R147 PolarHBondContact O-N 2.91Å |
| 144 | E | 92 | Very high | 91.1 | Very high | 84 Ų | 84 | 97.1 Ų | 97.1 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.8 | -171.4 | 54.5 | -148.6 | 0 | 0 | 111.1 | N140 E141 M142 C146 R147 Q148 | N140-E144 PolarHBondContact O-N 3.41Å; N140-E144 VanDerWaalsContact O-N 3.09Å; E141-E144 PolarHBondContact O-N 2.8Å; M142-E144 VanDerWaalsContact C-N 3.35Å; E144-C146 PolarHBondContact O-N 2.86Å; E144-R147 WeakPolarHBondContact O-CB 3.42Å; E144-R147 PolarHBondContact O-N 3.17Å; E144-R147 IonicContact OE2-NH1 3.8Å; E144-Q148 WeakPolarHBondContact O-CG 3.39Å; E144-Q148 PolarHBondContact O-N 3.34Å; E144-Q148 PolarHBondContact OE1-NE2 2.96Å |
| 145 | A | 92.9 | Very high | 91.5 | Very high | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E141 M142 R147 Q148 L149 | E141-A145 WeakPolarHBondContact O-CB 3.49Å; E141-A145 PolarHBondContact O-N 3.19Å; M142-A145 PolarHBondContact O-N 2.9Å; A145-R147 VanDerWaalsContact C-N 3.35Å; A145-R147 PolarHBondContact O-N 3.37Å; A145-Q148 PolarHBondContact O-N 2.85Å; A145-L149 WeakPolarHBondContact O-CB 3.34Å; A145-L149 PolarHBondContact O-N 3.27Å |
| 146 | C | 92.2 | Very high | 92 | Very high | 63 Ų | 63 | 98.1 Ų | 98.1 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.7 | -76 | 0 | 0 | 0 | 0 | 112.1 | M142 F143 E144 L149 R150 | M142-C146 VanDerWaalsContact O-CB 3.29Å; M142-C146 WeakPolarHBondContact O-CB 3.42Å; M142-C146 PolarHBondContact O-N 3.38Å; M142-C146 PolarHBondContact O-SG 3.44Å; F143-C146 PolarHBondContact O-N 3.31Å; E144-C146 PolarHBondContact O-N 2.86Å; C146-L149 PolarHBondContact O-N 3.39Å; C146-R150 WeakPolarHBondContact O-CB 3.39Å; C146-R150 PolarHBondContact O-N 2.95Å |
| 147 | R | 94.3 | Very high | 92.5 | Very high | 136 Ų | 136 | 100.8 Ų | 100.8 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.5 | -176.8 | -171.3 | 177.2 | -179.3 | 1.7 | 110.6 | F143 E144 A145 R150 M151 | F143-R147 VanDerWaalsContact O-CB 3.27Å; F143-R147 WeakPolarHBondContact O-CB 3.29Å; F143-R147 PolarHBondContact O-N 2.91Å; E144-R147 WeakPolarHBondContact O-CB 3.42Å; E144-R147 PolarHBondContact O-N 3.17Å; E144-R147 IonicContact OE2-NH1 3.8Å; A145-R147 VanDerWaalsContact C-N 3.35Å; A145-R147 PolarHBondContact O-N 3.37Å; R147-R150 PolarHBondContact O-N 2.73Å; R147-M151 HydrophobicContact CG-CE 4.15Å; R147-M151 WeakPolarHBondContact O-CG 3.23Å; R147-M151 PolarHBondContact O-N 3.12Å |
| 148 | Q | 95.7 | Very high | 93.1 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 176 | -71.4 | 176.4 | 14.1 | 0 | 0 | 111.3 | E144 A145 R150 M151 Q152 | E144-Q148 WeakPolarHBondContact O-CG 3.39Å; E144-Q148 PolarHBondContact O-N 3.34Å; E144-Q148 PolarHBondContact OE1-NE2 2.96Å; A145-Q148 PolarHBondContact O-N 2.85Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.5Å; Q148-M151 HydrophobicContact CG-CE 4.18Å; Q148-M151 PolarHBondContact O-N 3.32Å; Q148-Q152 WeakPolarHBondContact O-CG 3.32Å; Q148-Q152 PolarHBondContact O-N 3.03Å |
| 149 | L | 96.3 | Very high | 93.6 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 176 | -179.3 | 62.4 | 0 | 0 | 0 | 111.7 | A145 C146 M151 Q152 L153 | A145-L149 WeakPolarHBondContact O-CB 3.34Å; A145-L149 PolarHBondContact O-N 3.27Å; C146-L149 PolarHBondContact O-N 3.39Å; L149-M151 PolarHBondContact O-N 3.13Å; L149-Q152 PolarHBondContact O-N 3.34Å; L149-L153 HydrophobicContact CD1-CD1 4.32Å; L149-L153 HydrophobicContact CD1-CG 4.32Å; L149-L153 HydrophobicContact CG-CD1 4.09Å; L149-L153 HydrophobicContact CG-CG 4.5Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 3.31Å |
| 150 | R | 95.8 | Very high | 94 | Very high | 149 Ų | 149 | 101.5 Ų | 101.5 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.6 | -48.1 | 176.7 | -177 | 179.2 | 64.2 | 160.5 | 2.4 | 111.7 | C146 R147 Q148 Q152 L153 E154 | C146-R150 WeakPolarHBondContact O-CB 3.39Å; C146-R150 PolarHBondContact O-N 2.95Å; R147-R150 PolarHBondContact O-N 2.73Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.5Å; R150-Q152 VanDerWaalsContact C-N 3.31Å; R150-Q152 PolarHBondContact O-N 3.46Å; R150-L153 PolarHBondContact O-N 3.42Å; R150-E154 WeakPolarHBondContact CG-OE1 3.42Å; R150-E154 WeakPolarHBondContact O-CG 3.46Å; R150-E154 PolarHBondContact O-N 3.36Å |
| 151 | M | 96.4 | Very high | 94.3 | Very high | 80 Ų | 80 | 104.1 Ų | 104.1 | 39% | 0.394 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 177.9 | -68.8 | -176.6 | -61.5 | 0 | 0 | 112.2 | R147 Q148 L149 R155 | R147-M151 HydrophobicContact CG-CE 4.15Å; R147-M151 WeakPolarHBondContact O-CG 3.23Å; R147-M151 PolarHBondContact O-N 3.12Å; Q148-M151 HydrophobicContact CG-CE 4.18Å; Q148-M151 PolarHBondContact O-N 3.32Å; L149-M151 PolarHBondContact O-N 3.13Å; M151-R155 WeakPolarHBondContact O-CB 3.25Å; M151-R155 PolarHBondContact O-N 3.49Å |
| 152 | Q | 96 | Very high | 94.6 | Very high | 116 Ų | 116 | 100.8 Ų | 100.8 | 54% | 0.542 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 176.2 | -64.5 | -54.5 | -33.7 | 0 | 0 | 112.4 | Q148 L149 R150 R155 L156 | Q148-Q152 WeakPolarHBondContact O-CG 3.32Å; Q148-Q152 PolarHBondContact O-N 3.03Å; L149-Q152 PolarHBondContact O-N 3.34Å; R150-Q152 VanDerWaalsContact C-N 3.31Å; R150-Q152 PolarHBondContact O-N 3.46Å; Q152-R155 PolarHBondContact O-N 2.83Å; Q152-L156 WeakPolarHBondContact O-CB 3.36Å; Q152-L156 PolarHBondContact O-N 2.8Å |
| 153 | L | 95 | Very high | 95 | Very high | 88 Ų | 88 | 103.9 Ų | 103.9 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 175.9 | -71.8 | 172.8 | 0 | 0 | 0 | 112.1 | L149 R150 L156 N157 | L149-L153 HydrophobicContact CD1-CD1 4.32Å; L149-L153 HydrophobicContact CD1-CG 4.32Å; L149-L153 HydrophobicContact CG-CD1 4.09Å; L149-L153 HydrophobicContact CG-CG 4.5Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 3.31Å; R150-L153 PolarHBondContact O-N 3.42Å; L153-L156 PolarHBondContact O-N 3.5Å; L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 VanDerWaalsContact O-CG 3.26Å; L153-N157 PolarHBondContact O-N 3.44Å; L153-N157 PolarHBondContact O-ND2 3.42Å |
| 154 | E | 95.5 | Very high | 95.2 | Very high | 98 Ų | 98 | 105.6 Ų | 105.6 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 173 | -75.3 | 168.6 | -172.9 | 0 | 0 | 110.6 | R150 L156 N157 E158 | R150-E154 WeakPolarHBondContact CG-OE1 3.42Å; R150-E154 WeakPolarHBondContact O-CG 3.46Å; R150-E154 PolarHBondContact O-N 3.36Å; E154-L156 PolarHBondContact O-N 2.97Å; E154-N157 PolarHBondContact O-N 2.81Å; E154-E158 WeakPolarHBondContact O-CG 3.47Å; E154-E158 PolarHBondContact O-N 3.01Å |
| 155 | R | 96.3 | Very high | 95.4 | Very high | 154 Ų | 154 | 106.4 Ų | 106.4 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | 175.6 | -174.8 | 174.9 | -176.2 | 161.4 | 2 | 112.9 | M151 Q152 N157 E158 L159 | M151-R155 WeakPolarHBondContact O-CB 3.25Å; M151-R155 PolarHBondContact O-N 3.49Å; Q152-R155 PolarHBondContact O-N 2.83Å; R155-N157 VanDerWaalsContact C-N 3.34Å; R155-E158 PolarHBondContact O-N 2.96Å; R155-L159 HydrophobicContact CG-CD1 4.24Å; R155-L159 WeakPolarHBondContact O-CB 3.02Å; R155-L159 VanDerWaalsContact O-CG 3.29Å; R155-L159 WeakPolarHBondContact O-CG 3.16Å; R155-L159 PolarHBondContact O-N 3.34Å |
| 156 | L | 95.3 | Very high | 95.6 | Very high | 109 Ų | 109 | 109.1 Ų | 109.1 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 176.3 | -175.4 | 110.9 | 0 | 0 | 0 | 111.2 | Q152 L153 E154 L159 S160 | Q152-L156 WeakPolarHBondContact O-CB 3.36Å; Q152-L156 PolarHBondContact O-N 2.8Å; L153-L156 PolarHBondContact O-N 3.5Å; E154-L156 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 2.79Å; L156-S160 PolarHBondContact O-N 3.35Å |
| 157 | N | 94.1 | Very high | 95.8 | Very high | 91 Ų | 91 | 108.8 Ų | 108.8 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 177.9 | -72.6 | -28.8 | 0 | 0 | 0 | 111.9 | L153 E154 R155 S160 R161 | L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 VanDerWaalsContact O-CG 3.26Å; L153-N157 PolarHBondContact O-N 3.44Å; L153-N157 PolarHBondContact O-ND2 3.42Å; E154-N157 PolarHBondContact O-N 2.81Å; R155-N157 VanDerWaalsContact C-N 3.34Å; N157-S160 PolarHBondContact O-N 3.18Å; N157-R161 WeakPolarHBondContact O-CG 3.27Å; N157-R161 PolarHBondContact O-N 2.79Å |
| 158 | E | 95.7 | Very high | 95.9 | Very high | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 172.9 | -72.2 | 174.4 | 177.5 | 0 | 0 | 111.7 | E154 R155 S160 R161 T162 | E154-E158 WeakPolarHBondContact O-CG 3.47Å; E154-E158 PolarHBondContact O-N 3.01Å; R155-E158 PolarHBondContact O-N 2.96Å; E158-S160 VanDerWaalsContact C-N 3.34Å; E158-S160 PolarHBondContact O-N 3.43Å; E158-R161 PolarHBondContact O-N 3.46Å; E158-T162 WeakPolarHBondContact O-CG2 3.46Å; E158-T162 PolarHBondContact O-N 3.42Å; E158-T162 PolarHBondContact O-OG1 3.3Å |
| 159 | L | 95.7 | Very high | 95.9 | Very high | 106 Ų | 106 | 104.6 Ų | 104.6 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -36.6 | 175.4 | -73.3 | 172.6 | 0 | 0 | 0 | 112.6 | R155 L156 T162 R163 | R155-L159 HydrophobicContact CG-CD1 4.24Å; R155-L159 WeakPolarHBondContact O-CB 3.02Å; R155-L159 VanDerWaalsContact O-CG 3.29Å; R155-L159 WeakPolarHBondContact O-CG 3.16Å; R155-L159 PolarHBondContact O-N 3.34Å; L156-L159 PolarHBondContact O-N 2.79Å; L159-T162 VanDerWaalsContact CA-OG1 3.31Å; L159-T162 WeakPolarHBondContact CA-OG1 3.25Å; L159-T162 PolarHBondContact O-OG1 3.1Å; L159-R163 VanDerWaalsContact O-CB 3.27Å; L159-R163 WeakPolarHBondContact O-CB 3.13Å; L159-R163 PolarHBondContact O-N 2.91Å |
| 160 | S | 95.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 104.6 Ų | 104.6 | 25% | 0.252 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 175.2 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | L156 N157 E158 R163 E164 | L156-S160 PolarHBondContact O-N 3.35Å; N157-S160 PolarHBondContact O-N 3.18Å; E158-S160 VanDerWaalsContact C-N 3.34Å; E158-S160 PolarHBondContact O-N 3.43Å; S160-R163 WeakPolarHBondContact O-CB 3.21Å; S160-R163 PolarHBondContact O-N 3.18Å; S160-E164 WeakPolarHBondContact O-CG 3.36Å; S160-E164 PolarHBondContact O-N 3.19Å; S160-E164 PolarHBondContact OG-OE1 3Å |
| 161 | R | 95.3 | Very high | 95.9 | Very high | 176 Ų | 176 | 100.3 Ų | 100.3 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.2 | -49.1 | 177.3 | -71.9 | 176.5 | -177.3 | -176.5 | 1.2 | 111.3 | N157 E158 R163 E164 D165 | N157-R161 WeakPolarHBondContact O-CG 3.27Å; N157-R161 PolarHBondContact O-N 2.79Å; E158-R161 PolarHBondContact O-N 3.46Å; R161-R163 VanDerWaalsContact C-N 3.31Å; R161-R163 PolarHBondContact O-N 3.33Å; R161-E164 WeakPolarHBondContact O-CB 3.33Å; R161-E164 PolarHBondContact O-N 2.97Å; R161-E164 VanDerWaalsContact O-N 3.13Å; R161-D165 PolarHBondContact O-N 2.77Å |
| 162 | T | 96.1 | Very high | 95.9 | Very high | 71 Ų | 71 | 102.8 Ų | 102.8 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 177.3 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | E158 L159 D165 L166 | E158-T162 WeakPolarHBondContact O-CG2 3.46Å; E158-T162 PolarHBondContact O-N 3.42Å; E158-T162 PolarHBondContact O-OG1 3.3Å; L159-T162 VanDerWaalsContact CA-OG1 3.31Å; L159-T162 WeakPolarHBondContact CA-OG1 3.25Å; L159-T162 PolarHBondContact O-OG1 3.1Å; T162-D165 PolarHBondContact O-N 3.09Å; T162-L166 WeakPolarHBondContact O-CB 3.22Å; T162-L166 VanDerWaalsContact O-CG 3.25Å; T162-L166 WeakPolarHBondContact O-CG 3.48Å; T162-L166 PolarHBondContact O-N 2.82Å |
| 163 | R | 97.6 | Very high | 95.9 | Very high | 167 Ų | 167 | 100.3 Ų | 100.3 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 173.5 | -176.1 | -171.6 | 66.9 | 170.8 | -0.9 | 112 | L159 S160 R161 L166 A167 | L159-R163 VanDerWaalsContact O-CB 3.27Å; L159-R163 WeakPolarHBondContact O-CB 3.13Å; L159-R163 PolarHBondContact O-N 2.91Å; S160-R163 WeakPolarHBondContact O-CB 3.21Å; S160-R163 PolarHBondContact O-N 3.18Å; R161-R163 VanDerWaalsContact C-N 3.31Å; R161-R163 PolarHBondContact O-N 3.33Å; R163-L166 PolarHBondContact O-N 2.87Å; R163-A167 VanDerWaalsContact O-CB 3.32Å; R163-A167 WeakPolarHBondContact O-CB 3.17Å; R163-A167 PolarHBondContact O-N 3.22Å |
| 164 | E | 95.9 | Very high | 95.9 | Very high | 106 Ų | 106 | 100.9 Ų | 100.9 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.3 | -73.6 | 165.2 | -152.3 | 0 | 0 | 111.3 | S160 R161 L166 A167 T168 | S160-E164 WeakPolarHBondContact O-CG 3.36Å; S160-E164 PolarHBondContact O-N 3.19Å; S160-E164 PolarHBondContact OG-OE1 3Å; R161-E164 WeakPolarHBondContact O-CB 3.33Å; R161-E164 PolarHBondContact O-N 2.97Å; R161-E164 VanDerWaalsContact O-N 3.13Å; E164-L166 PolarHBondContact O-N 2.99Å; E164-A167 PolarHBondContact O-N 3.42Å; E164-T168 WeakPolarHBondContact O-CG2 3.14Å; E164-T168 PolarHBondContact O-N 3.34Å; E164-T168 PolarHBondContact O-OG1 2.89Å |
| 165 | D | 95.7 | Very high | 96 | Very high | 101 Ų | 101 | 101.3 Ų | 101.3 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 175.7 | -68.9 | -24.2 | 0 | 0 | 0 | 112.1 | R161 T162 T168 T169 | R161-D165 PolarHBondContact O-N 2.77Å; T162-D165 PolarHBondContact O-N 3.09Å; D165-T168 PolarHBondContact O-OG1 3.08Å; D165-T169 WeakPolarHBondContact O-CB 3.36Å; D165-T169 PolarHBondContact O-N 3.26Å; D165-T169 PolarHBondContact O-OG1 2.94Å |
| 166 | L | 96.4 | Very high | 95.9 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -41.6 | 175.8 | -72.3 | 174.8 | 0 | 0 | 0 | 112.2 | T162 R163 E164 T169 L170 | T162-L166 WeakPolarHBondContact O-CB 3.22Å; T162-L166 VanDerWaalsContact O-CG 3.25Å; T162-L166 WeakPolarHBondContact O-CG 3.48Å; T162-L166 PolarHBondContact O-N 2.82Å; R163-L166 PolarHBondContact O-N 2.87Å; E164-L166 PolarHBondContact O-N 2.99Å; L166-T169 PolarHBondContact O-N 3.27Å; L166-L170 WeakPolarHBondContact O-CB 3.33Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.35Å |
| 167 | A | 97.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 99.8 Ų | 99.8 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R163 E164 T169 L170 S171 | R163-A167 VanDerWaalsContact O-CB 3.32Å; R163-A167 WeakPolarHBondContact O-CB 3.17Å; R163-A167 PolarHBondContact O-N 3.22Å; E164-A167 PolarHBondContact O-N 3.42Å; A167-T169 VanDerWaalsContact C-N 3.34Å; A167-L170 PolarHBondContact O-N 3.46Å; A167-S171 WeakPolarHBondContact O-CB 3.5Å; A167-S171 PolarHBondContact O-N 3.41Å |
| 168 | T | 95.7 | Very high | 96 | Very high | 73 Ų | 73 | 97.9 Ų | 97.9 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 175.5 | 61.1 | 0 | 0 | 0 | 0 | 112 | E164 D165 K172 | E164-T168 WeakPolarHBondContact O-CG2 3.14Å; E164-T168 PolarHBondContact O-N 3.34Å; E164-T168 PolarHBondContact O-OG1 2.89Å; D165-T168 PolarHBondContact O-OG1 3.08Å; T168-K172 VanDerWaalsContact O-CG 3.31Å; T168-K172 WeakPolarHBondContact O-CG 3.13Å; T168-K172 PolarHBondContact O-N 2.95Å; T168-K172 VanDerWaalsContact O-N 3.15Å |
| 169 | T | 95.9 | Very high | 95.8 | Very high | 76 Ų | 76 | 99.8 Ų | 99.8 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | D165 L166 A167 K172 T173 | D165-T169 WeakPolarHBondContact O-CB 3.36Å; D165-T169 PolarHBondContact O-N 3.26Å; D165-T169 PolarHBondContact O-OG1 2.94Å; L166-T169 PolarHBondContact O-N 3.27Å; A167-T169 VanDerWaalsContact C-N 3.34Å; T169-K172 WeakPolarHBondContact O-CB 3.18Å; T169-K172 PolarHBondContact O-N 3.33Å; T169-T173 PolarHBondContact O-N 3.37Å; T169-T173 PolarHBondContact O-OG1 2.91Å |
| 170 | L | 97 | Very high | 95.6 | Very high | 106 Ų | 106 | 99.9 Ų | 99.9 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -46.4 | 176.2 | -79.6 | 169.9 | 0 | 0 | 0 | 111.8 | L166 A167 K172 T173 D174 | L166-L170 WeakPolarHBondContact O-CB 3.33Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.35Å; A167-L170 PolarHBondContact O-N 3.46Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.93Å; L170-T173 WeakPolarHBondContact CA-OG1 3.41Å; L170-T173 PolarHBondContact O-N 2.99Å; L170-T173 VanDerWaalsContact O-N 3.08Å; L170-T173 PolarHBondContact O-OG1 3.01Å; L170-D174 PolarHBondContact O-N 2.8Å |
| 171 | S | 96.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 103.2 Ų | 103.2 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 176 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | A167 T173 D174 Q175 | A167-S171 WeakPolarHBondContact O-CB 3.5Å; A167-S171 PolarHBondContact O-N 3.41Å; S171-T173 PolarHBondContact O-N 3.16Å; S171-D174 PolarHBondContact O-N 2.94Å; S171-Q175 VanDerWaalsContact O-CG 3.28Å; S171-Q175 WeakPolarHBondContact O-CG 3.32Å; S171-Q175 PolarHBondContact O-N 3.47Å |
| 172 | K | 96.1 | Very high | 95.4 | Very high | 131 Ų | 131 | 100.8 Ų | 100.8 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 175.1 | -73.2 | 171.3 | -177.3 | 173.2 | 0 | 112.4 | T168 T169 L170 K176 | T168-K172 VanDerWaalsContact O-CG 3.31Å; T168-K172 WeakPolarHBondContact O-CG 3.13Å; T168-K172 PolarHBondContact O-N 2.95Å; T168-K172 VanDerWaalsContact O-N 3.15Å; T169-K172 WeakPolarHBondContact O-CB 3.18Å; T169-K172 PolarHBondContact O-N 3.33Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.93Å; K172-K176 WeakPolarHBondContact O-CG 3.4Å; K172-K176 PolarHBondContact O-N 3.48Å |
| 173 | T | 95.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 102.1 Ų | 102.1 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.7 | -38.9 | 177.5 | 51 | 0 | 0 | 0 | 0 | 112.3 | T169 L170 S171 K176 L177 | T169-T173 PolarHBondContact O-N 3.37Å; T169-T173 PolarHBondContact O-OG1 2.91Å; L170-T173 WeakPolarHBondContact CA-OG1 3.41Å; L170-T173 PolarHBondContact O-N 2.99Å; L170-T173 VanDerWaalsContact O-N 3.08Å; L170-T173 PolarHBondContact O-OG1 3.01Å; S171-T173 PolarHBondContact O-N 3.16Å; T173-K176 WeakPolarHBondContact O-CB 3.37Å; T173-K176 PolarHBondContact O-N 2.8Å; T173-L177 WeakPolarHBondContact O-CB 3.5Å; T173-L177 PolarHBondContact O-N 3.48Å |
| 174 | D | 96.5 | Very high | 94.6 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 177 | -70.5 | -21.4 | 0 | 0 | 0 | 111.3 | L170 S171 K176 L177 S178 | L170-D174 PolarHBondContact O-N 2.8Å; S171-D174 PolarHBondContact O-N 2.94Å; D174-K176 VanDerWaalsContact C-N 3.33Å; D174-K176 PolarHBondContact O-N 3.43Å; D174-L177 PolarHBondContact O-N 3.03Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.36Å |
| 175 | Q | 95.7 | Very high | 94.2 | Very high | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 172.7 | -73.2 | 175.9 | 18.4 | 0 | 0 | 112.2 | S171 R179 | S171-Q175 VanDerWaalsContact O-CG 3.28Å; S171-Q175 WeakPolarHBondContact O-CG 3.32Å; S171-Q175 PolarHBondContact O-N 3.47Å; Q175-R179 VanDerWaalsContact O-CG 3.29Å; Q175-R179 WeakPolarHBondContact O-CG 3.41Å; Q175-R179 PolarHBondContact O-N 3.43Å; Q175-R179 VanDerWaalsContact O-N 3.13Å |
| 176 | K | 95.8 | Very high | 93.6 | Very high | 141 Ų | 141 | 97.6 Ų | 97.6 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | 175.5 | -74.3 | 176 | -179.5 | -177.1 | 0 | 111.7 | K172 T173 D174 R179 L180 | K172-K176 WeakPolarHBondContact O-CG 3.4Å; K172-K176 PolarHBondContact O-N 3.48Å; T173-K176 WeakPolarHBondContact O-CB 3.37Å; T173-K176 PolarHBondContact O-N 2.8Å; D174-K176 VanDerWaalsContact C-N 3.33Å; D174-K176 PolarHBondContact O-N 3.43Å; K176-R179 PolarHBondContact O-N 3.01Å; K176-L180 WeakPolarHBondContact O-CG 3.21Å; K176-L180 PolarHBondContact O-N 3.43Å |
| 177 | L | 95.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 96 Ų | 96 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 178.6 | -172.9 | 147.2 | 0 | 0 | 0 | 110.9 | T173 D174 R179 L180 E181 | T173-L177 WeakPolarHBondContact O-CB 3.5Å; T173-L177 PolarHBondContact O-N 3.48Å; D174-L177 PolarHBondContact O-N 3.03Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 2.97Å; L177-L180 PolarHBondContact O-N 3.44Å; L177-E181 VanDerWaalsContact CD2-CD 3.4Å; L177-E181 HydrophobicContact CD2-CG 4.05Å; L177-E181 WeakPolarHBondContact CD2-OE1 3.19Å; L177-E181 WeakPolarHBondContact O-CG 3.4Å; L177-E181 PolarHBondContact O-N 3.4Å |
| 178 | S | 94.6 | Very high | 92.1 | Very high | 52 Ų | 52 | 101 Ų | 101 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | D174 L180 E181 Q182 | D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.36Å; S178-L180 VanDerWaalsContact C-N 3.35Å; S178-L180 PolarHBondContact O-N 3.19Å; S178-E181 PolarHBondContact O-N 2.81Å; S178-Q182 VanDerWaalsContact O-CG 3.3Å; S178-Q182 WeakPolarHBondContact O-CG 2.84Å; S178-Q182 PolarHBondContact O-N 2.85Å |
| 179 | R | 93.1 | Very high | 91.4 | Very high | 163 Ų | 163 | 105 Ų | 105 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -40.2 | 173.8 | -72.8 | 174.4 | -175.2 | -170.7 | 0.8 | 112.3 | Q175 K176 L177 N183 | Q175-R179 VanDerWaalsContact O-CG 3.29Å; Q175-R179 WeakPolarHBondContact O-CG 3.41Å; Q175-R179 PolarHBondContact O-N 3.43Å; Q175-R179 VanDerWaalsContact O-N 3.13Å; K176-R179 PolarHBondContact O-N 3.01Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 2.97Å; R179-N183 PolarHBondContact O-N 3.42Å; R179-N183 VanDerWaalsContact O-N 3.11Å; R179-N183 PolarHBondContact O-ND2 3.37Å |
| 180 | L | 90.9 | Very high | 90.2 | Very high | 108 Ų | 108 | 106.7 Ų | 106.7 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.4 | -39.9 | 177.7 | -72.4 | 172.1 | 0 | 0 | 0 | 112.2 | K176 L177 S178 N183 I184 | K176-L180 WeakPolarHBondContact O-CG 3.21Å; K176-L180 PolarHBondContact O-N 3.43Å; L177-L180 PolarHBondContact O-N 3.44Å; S178-L180 VanDerWaalsContact C-N 3.35Å; S178-L180 PolarHBondContact O-N 3.19Å; L180-N183 WeakPolarHBondContact O-CB 3.34Å; L180-N183 PolarHBondContact O-N 3.22Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 2.88Å |
| 181 | E | 93.7 | Very high | 89 | Confident | 107 Ų | 107 | 107.8 Ų | 107.8 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.6 | -72.2 | 179.7 | 154.3 | 0 | 0 | 111.6 | L177 S178 N183 I184 D185 | L177-E181 VanDerWaalsContact CD2-CD 3.4Å; L177-E181 HydrophobicContact CD2-CG 4.05Å; L177-E181 WeakPolarHBondContact CD2-OE1 3.19Å; L177-E181 WeakPolarHBondContact O-CG 3.4Å; L177-E181 PolarHBondContact O-N 3.4Å; S178-E181 PolarHBondContact O-N 2.81Å; E181-N183 VanDerWaalsContact C-N 3.3Å; E181-N183 PolarHBondContact O-N 3.25Å; E181-I184 PolarHBondContact O-N 3.02Å; E181-I184 VanDerWaalsContact O-N 3.13Å; E181-D185 PolarHBondContact O-N 3.33Å |
| 182 | Q | 92.7 | Very high | 87.6 | Confident | 125 Ų | 125 | 113.2 Ų | 113.2 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.2 | -41.8 | 174.2 | -72.7 | 174.6 | 4.3 | 0 | 0 | 111.9 | S178 D185 F186 | S178-Q182 VanDerWaalsContact O-CG 3.3Å; S178-Q182 WeakPolarHBondContact O-CG 2.84Å; S178-Q182 PolarHBondContact O-N 2.85Å; Q182-D185 PolarHBondContact O-N 3.39Å; Q182-F186 WeakPolarHBondContact O-CB 3.41Å; Q182-F186 PolarHBondContact O-N 3.37Å |
| 183 | N | 88.5 | Confident | 85.8 | Confident | 99 Ų | 99 | 111.2 Ų | 111.2 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 176.2 | -71.6 | -20 | 0 | 0 | 0 | 112.6 | R179 L180 E181 C187 | R179-N183 PolarHBondContact O-N 3.42Å; R179-N183 VanDerWaalsContact O-N 3.11Å; R179-N183 PolarHBondContact O-ND2 3.37Å; L180-N183 WeakPolarHBondContact O-CB 3.34Å; L180-N183 PolarHBondContact O-N 3.22Å; E181-N183 VanDerWaalsContact C-N 3.3Å; E181-N183 PolarHBondContact O-N 3.25Å; N183-C187 PolarHBondContact O-N 3.1Å; N183-C187 VanDerWaalsContact O-N 3.08Å; N183-C187 PolarHBondContact O-SG 3.15Å |
| 184 | I | 88 | Confident | 83.8 | Confident | 84 Ų | 84 | 112.7 Ų | 112.7 | 43% | 0.431 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.6 | -45.7 | 176.8 | -71.1 | 166.9 | 0 | 0 | 0 | 110.7 | L180 E181 F186 C187 R188 | L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 2.88Å; E181-I184 PolarHBondContact O-N 3.02Å; E181-I184 VanDerWaalsContact O-N 3.13Å; I184-F186 VanDerWaalsContact C-N 3.32Å; I184-F186 PolarHBondContact O-N 3.24Å; I184-C187 WeakPolarHBondContact O-CB 3.32Å; I184-C187 PolarHBondContact O-N 3.42Å; I184-C187 VanDerWaalsContact O-N 3.16Å; I184-R188 HydrophobicContact CG2-CG 4.37Å; I184-R188 WeakPolarHBondContact O-CG 3.42Å; I184-R188 PolarHBondContact O-N 2.76Å |
| 185 | D | 87.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 116.1 Ų | 116.1 | 43% | 0.433 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.6 | -37.9 | 179 | -79.5 | -10.2 | 0 | 0 | 0 | 112 | E181 Q182 R188 K189 | E181-D185 PolarHBondContact O-N 3.33Å; Q182-D185 PolarHBondContact O-N 3.39Å; D185-R188 PolarHBondContact O-N 2.91Å; D185-K189 WeakPolarHBondContact O-CG 2.88Å; D185-K189 PolarHBondContact O-N 3.48Å |
| 186 | F | 83.3 | Confident | 79.8 | Confident | 113 Ų | 113 | 115.9 Ų | 115.9 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.7 | -45.6 | 171.4 | -177.4 | -98.3 | 0 | 0 | 0 | 111.6 | Q182 I184 K190 | Q182-F186 WeakPolarHBondContact O-CB 3.41Å; Q182-F186 PolarHBondContact O-N 3.37Å; I184-F186 VanDerWaalsContact C-N 3.32Å; I184-F186 PolarHBondContact O-N 3.24Å; F186-K190 WeakPolarHBondContact O-CB 3.33Å; F186-K190 PolarHBondContact O-N 3.29Å |
| 187 | C | 80.1 | Confident | 77.6 | Confident | 81 Ų | 81 | 118.3 Ų | 118.3 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.5 | -38.5 | 176.4 | -73.5 | 0 | 0 | 0 | 0 | 113.2 | N183 I184 K190 N191 | N183-C187 PolarHBondContact O-N 3.1Å; N183-C187 VanDerWaalsContact O-N 3.08Å; N183-C187 PolarHBondContact O-SG 3.15Å; I184-C187 WeakPolarHBondContact O-CB 3.32Å; I184-C187 PolarHBondContact O-N 3.42Å; I184-C187 VanDerWaalsContact O-N 3.16Å; C187-K190 PolarHBondContact O-N 3.41Å; C187-N191 PolarHBondContact O-N 2.93Å; C187-N191 VanDerWaalsContact O-N 3.15Å |
| 188 | R | 81.4 | Confident | 75.6 | Confident | 160 Ų | 160 | 115 Ų | 115 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.5 | -48.9 | 178.7 | -75.9 | 177.3 | 175.4 | 169.8 | -1.9 | 112.2 | I184 D185 K190 N191 E192 | I184-R188 HydrophobicContact CG2-CG 4.37Å; I184-R188 WeakPolarHBondContact O-CG 3.42Å; I184-R188 PolarHBondContact O-N 2.76Å; D185-R188 PolarHBondContact O-N 2.91Å; R188-K190 PolarHBondContact O-N 2.86Å; R188-N191 PolarHBondContact O-N 3.4Å; R188-E192 PolarHBondContact O-N 2.96Å |
| 189 | K | 80.9 | Confident | 73.9 | Confident | 159 Ų | 159 | 115.8 Ų | 115.8 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.6 | -35.5 | 176.3 | -72.6 | 175.6 | -178.2 | 173.8 | 0 | 111.9 | D185 | D185-K189 WeakPolarHBondContact O-CG 2.88Å; D185-K189 PolarHBondContact O-N 3.48Å |
| 190 | K | 71.8 | Confident | 72.7 | Confident | 111 Ų | 111 | 112.6 Ų | 112.6 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.9 | -38.6 | 175.2 | -170.1 | 173.6 | 179.5 | 174.4 | 0 | 112.3 | F186 C187 R188 S193 | F186-K190 WeakPolarHBondContact O-CB 3.33Å; F186-K190 PolarHBondContact O-N 3.29Å; C187-K190 PolarHBondContact O-N 3.41Å; R188-K190 PolarHBondContact O-N 2.86Å; K190-S193 PolarHBondContact O-OG 3.39Å |
| 191 | N | 70.3 | Confident | 71.6 | Confident | 128 Ų | 128 | 114.1 Ų | 114.1 | 68% | 0.684 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.7 | -37.8 | -176.2 | -160.1 | 26.3 | 0 | 0 | 0 | 113.3 | C187 R188 S193 T194 | C187-N191 PolarHBondContact O-N 2.93Å; C187-N191 VanDerWaalsContact O-N 3.15Å; R188-N191 PolarHBondContact O-N 3.4Å; N191-S193 PolarHBondContact O-N 2.72Å; N191-T194 PolarHBondContact O-OG1 3Å |
| 192 | E | 67 | Low | 70 | Confident | 173 Ų | 173 | 113.4 Ų | 113.4 | 81% | 0.808 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.8 | -19 | -177.2 | -72.4 | 176.9 | 179.4 | 0 | 0 | 114.3 | R188 T194 | R188-E192 PolarHBondContact O-N 2.96Å; E192-T194 VanDerWaalsContact C-N 3.29Å; E192-T194 PolarHBondContact O-N 3.2Å |
| 193 | S | 59.1 | Low | 69.1 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 63% | 0.629 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 3.2 | -177 | 78.9 | 0 | 0 | 0 | 0 | 115.5 | K190 N191 | K190-S193 PolarHBondContact O-OG 3.39Å; N191-S193 PolarHBondContact O-N 2.72Å |
| 194 | T | 52.7 | Low | 68.7 | Low | 95 Ų | 95 | 112.2 Ų | 112.2 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | trans | -106.9 | 93.7 | -163.4 | -24.5 | 0 | 0 | 0 | 0 | 113.6 | N191 E192 | N191-T194 PolarHBondContact O-OG1 3Å; E192-T194 VanDerWaalsContact C-N 3.29Å; E192-T194 PolarHBondContact O-N 3.2Å | ||
| 195 | K | 53.3 | Low | 68.2 | Low | 171 Ų | 171 | 111.3 Ų | 111.3 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | trans | -111.3 | 152.6 | 154.8 | -82.6 | -175.7 | 180 | 176.7 | 0 | 109.6 | R202 | K195-R202 PolarHBondContact O-NE 3.1Å; K195-R202 PolarHBondContact O-NH1 2.94Å; K195-R202 PolarHBondContact O-NH2 2.92Å | ||
| 196 | P | 54.6 | Low | 67.6 | Low | 102 Ų | 102 | 110.1 Ų | 110.1 | 66% | 0.662 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -94.7 | -14.4 | -141.4 | -9.5 | 28.5 | 0 | 0 | 0 | 118.2 | G198 S199 | P196-G198 VanDerWaalsContact C-N 3.3Å; P196-G198 PolarHBondContact O-N 3.32Å; P196-S199 WeakPolarHBondContact O-CB 3.2Å; P196-S199 PolarHBondContact O-N 2.94Å |
| 197 | E | 50.8 | Low | 67.5 | Low | 193 Ų | 193 | 109.6 Ų | 109.6 | 90% | 0.902 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -10.9 | -164.1 | -72.4 | 173.2 | 161.8 | 0 | 0 | 115.7 | S199 | E197-S199 VanDerWaalsContact C-N 3.25Å; E197-S199 PolarHBondContact O-N 3.42Å |
| 198 | G | 53.3 | Low | 67.7 | Low | 21 Ų | 21 | 108.1 Ų | 108.1 | 22% | 0.216 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | 11.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P196 V200 Q201 R202 | P196-G198 VanDerWaalsContact C-N 3.3Å; P196-G198 PolarHBondContact O-N 3.32Å; G198-V200 VanDerWaalsContact C-N 3.3Å; G198-V200 PolarHBondContact O-N 3.31Å; G198-Q201 CarbonylContact O-C 3.59Å; G198-Q201 PolarHBondContact O-N 2.92Å; G198-Q201 VanDerWaalsContact O-N 3.1Å; G198-R202 VanDerWaalsContact CA-NE 3.28Å; G198-R202 WeakPolarHBondContact O-CA 3.42Å; G198-R202 WeakPolarHBondContact O-CB 3.37Å; G198-R202 VanDerWaalsContact O-CG 3.32Å; G198-R202 WeakPolarHBondContact O-CG 3.29Å; G198-R202 PolarHBondContact O-N 3.01Å |
| 199 | S | 57.7 | Low | 67.5 | Low | 67 Ų | 67 | 104.8 Ų | 104.8 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -49 | -41.7 | -160.6 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | P196 E197 L203 | P196-S199 WeakPolarHBondContact O-CB 3.2Å; P196-S199 PolarHBondContact O-N 2.94Å; E197-S199 VanDerWaalsContact C-N 3.25Å; E197-S199 PolarHBondContact O-N 3.42Å; S199-L203 VanDerWaalsContact O-CB 3.24Å; S199-L203 WeakPolarHBondContact O-CB 3.48Å; S199-L203 WeakPolarHBondContact O-CD1 3.43Å; S199-L203 WeakPolarHBondContact O-CG 3.27Å; S199-L203 PolarHBondContact O-N 3.3Å |
| 200 | V | 67.9 | Low | 67.6 | Low | 97 Ų | 97 | 99.9 Ų | 99.9 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.6 | -48.8 | 178 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | G198 R202 L203 I204 | G198-V200 VanDerWaalsContact C-N 3.3Å; G198-V200 PolarHBondContact O-N 3.31Å; V200-R202 PolarHBondContact O-N 2.98Å; V200-L203 CarbonylContact O-C 3.59Å; V200-L203 WeakPolarHBondContact O-CB 3.47Å; V200-L203 PolarHBondContact O-N 3.4Å; V200-I204 HydrophobicContact CG1-CD1 4.27Å; V200-I204 WeakPolarHBondContact O-CG1 3.48Å; V200-I204 PolarHBondContact O-N 3.15Å |
| 201 | Q | 68.2 | Low | 68 | Low | 139 Ų | 139 | 100.9 Ų | 100.9 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -32.1 | 177.3 | -162 | 66 | 21.9 | 0 | 0 | 111.4 | G198 S205 | G198-Q201 CarbonylContact O-C 3.59Å; G198-Q201 PolarHBondContact O-N 2.92Å; G198-Q201 VanDerWaalsContact O-N 3.1Å; Q201-S205 WeakPolarHBondContact O-CB 3.43Å; Q201-S205 PolarHBondContact O-N 3Å; Q201-S205 PolarHBondContact O-OG 3.44Å |
| 202 | R | 61.5 | Low | 68.7 | Low | 92 Ų | 92 | 98.3 Ų | 98.3 | 35% | 0.347 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 169.7 | -77.7 | -175.3 | -118.4 | -125.5 | -8 | 110.8 | K195 G198 V200 I204 S205 T206 | K195-R202 PolarHBondContact O-NE 3.1Å; K195-R202 PolarHBondContact O-NH1 2.94Å; K195-R202 PolarHBondContact O-NH2 2.92Å; G198-R202 VanDerWaalsContact CA-NE 3.28Å; G198-R202 WeakPolarHBondContact O-CA 3.42Å; G198-R202 WeakPolarHBondContact O-CB 3.37Å; G198-R202 VanDerWaalsContact O-CG 3.32Å; G198-R202 WeakPolarHBondContact O-CG 3.29Å; G198-R202 PolarHBondContact O-N 3.01Å; V200-R202 PolarHBondContact O-N 2.98Å; R202-I204 VanDerWaalsContact C-N 3.27Å; R202-I204 PolarHBondContact O-N 3.49Å; R202-S205 WeakPolarHBondContact CA-OG 3.33Å; R202-S205 CarbonylContact O-C 3.59Å; R202-S205 PolarHBondContact O-N 2.97Å; R202-S205 PolarHBondContact O-OG 3.26Å; R202-S205 VanDerWaalsContact O-OG 3.06Å; R202-T206 WeakPolarHBondContact O-CA 3.4Å; R202-T206 WeakPolarHBondContact O-CB 3.27Å; R202-T206 PolarHBondContact O-N 3.37Å; R202-T206 PolarHBondContact O-OG1 2.97Å |
| 203 | L | 73.5 | Confident | 69.4 | Low | 104 Ų | 104 | 93.5 Ų | 93.5 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 174.8 | -81.3 | 165.9 | 0 | 0 | 0 | 110.3 | S199 V200 T206 I207 | S199-L203 VanDerWaalsContact O-CB 3.24Å; S199-L203 WeakPolarHBondContact O-CB 3.48Å; S199-L203 WeakPolarHBondContact O-CD1 3.43Å; S199-L203 WeakPolarHBondContact O-CG 3.27Å; S199-L203 PolarHBondContact O-N 3.3Å; V200-L203 CarbonylContact O-C 3.59Å; V200-L203 WeakPolarHBondContact O-CB 3.47Å; V200-L203 PolarHBondContact O-N 3.4Å; L203-T206 PolarHBondContact O-N 2.94Å; L203-I207 VanDerWaalsContact O-CB 3.3Å; L203-I207 WeakPolarHBondContact O-CB 3.34Å; L203-I207 WeakPolarHBondContact O-CD1 3.49Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.36Å |
| 204 | I | 80.4 | Confident | 70.6 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 174 | -65.1 | 168.6 | 0 | 0 | 0 | 110.5 | V200 R202 T206 I207 A208 | V200-I204 HydrophobicContact CG1-CD1 4.27Å; V200-I204 WeakPolarHBondContact O-CG1 3.48Å; V200-I204 PolarHBondContact O-N 3.15Å; R202-I204 VanDerWaalsContact C-N 3.27Å; R202-I204 PolarHBondContact O-N 3.49Å; I204-T206 VanDerWaalsContact C-N 3.3Å; I204-T206 PolarHBondContact O-N 3.28Å; I204-I207 PolarHBondContact O-N 3.29Å; I204-A208 WeakPolarHBondContact O-CB 3.42Å; I204-A208 PolarHBondContact O-N 2.8Å |
| 205 | S | 76.2 | Confident | 72.2 | Confident | 65 Ų | 65 | 90.4 Ų | 90.4 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -30.1 | 178.3 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | Q201 R202 L209 | Q201-S205 WeakPolarHBondContact O-CB 3.43Å; Q201-S205 PolarHBondContact O-N 3Å; Q201-S205 PolarHBondContact O-OG 3.44Å; R202-S205 WeakPolarHBondContact CA-OG 3.33Å; R202-S205 CarbonylContact O-C 3.59Å; R202-S205 PolarHBondContact O-N 2.97Å; R202-S205 PolarHBondContact O-OG 3.26Å; R202-S205 VanDerWaalsContact O-OG 3.06Å; S205-L209 WeakPolarHBondContact O-CB 3.42Å; S205-L209 PolarHBondContact O-N 2.94Å |
| 206 | T | 76 | Confident | 73.6 | Confident | 56 Ų | 56 | 86.4 Ų | 86.4 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.6 | -39 | 178.2 | -51 | 0 | 0 | 0 | 0 | 109.5 | R202 L203 I204 L209 V210 | R202-T206 WeakPolarHBondContact O-CA 3.4Å; R202-T206 WeakPolarHBondContact O-CB 3.27Å; R202-T206 PolarHBondContact O-N 3.37Å; R202-T206 PolarHBondContact O-OG1 2.97Å; L203-T206 PolarHBondContact O-N 2.94Å; I204-T206 VanDerWaalsContact C-N 3.3Å; I204-T206 PolarHBondContact O-N 3.28Å; T206-L209 PolarHBondContact O-N 3.47Å; T206-V210 HydrophobicContact CG2-CG2 4.28Å; T206-V210 VanDerWaalsContact O-CB 3.22Å; T206-V210 WeakPolarHBondContact O-CB 3.43Å; T206-V210 WeakPolarHBondContact O-CG2 3.34Å; T206-V210 PolarHBondContact O-N 3.33Å |
| 207 | I | 81.3 | Confident | 75.1 | Confident | 102 Ų | 102 | 83.6 Ų | 83.6 | 52% | 0.523 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 171.2 | -71.2 | 164.4 | 0 | 0 | 0 | 109.2 | L203 I204 L209 V210 M211 | L203-I207 VanDerWaalsContact O-CB 3.3Å; L203-I207 WeakPolarHBondContact O-CB 3.34Å; L203-I207 WeakPolarHBondContact O-CD1 3.49Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.36Å; I204-I207 PolarHBondContact O-N 3.29Å; I207-L209 PolarHBondContact O-N 3.31Å; I207-V210 PolarHBondContact O-N 3.1Å; I207-M211 HydrophobicContact CG2-CG 4.29Å; I207-M211 WeakPolarHBondContact O-CB 3.3Å; I207-M211 WeakPolarHBondContact O-CG 3.42Å; I207-M211 PolarHBondContact O-N 2.91Å |
| 208 | A | 83 | Confident | 76.8 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I204 M211 T212 | I204-A208 WeakPolarHBondContact O-CB 3.42Å; I204-A208 PolarHBondContact O-N 2.8Å; A208-M211 PolarHBondContact O-N 3.41Å; A208-T212 PolarHBondContact O-N 3Å; A208-T212 PolarHBondContact O-OG1 2.97Å |
| 209 | L | 78.8 | Confident | 78.5 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 176 | -170.4 | 92.3 | 0 | 0 | 0 | 111.6 | S205 T206 I207 M211 T212 Q213 | S205-L209 WeakPolarHBondContact O-CB 3.42Å; S205-L209 PolarHBondContact O-N 2.94Å; T206-L209 PolarHBondContact O-N 3.47Å; I207-L209 PolarHBondContact O-N 3.31Å; L209-M211 VanDerWaalsContact C-N 3.33Å; L209-T212 VanDerWaalsContact CA-OG1 3.32Å; L209-T212 WeakPolarHBondContact CA-OG1 3.21Å; L209-T212 PolarHBondContact O-N 2.96Å; L209-T212 PolarHBondContact O-OG1 3.21Å; L209-Q213 VanDerWaalsContact O-CB 3.3Å; L209-Q213 WeakPolarHBondContact O-CB 3.38Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3.34Å |
| 210 | V | 81.1 | Confident | 80 | Confident | 56 Ų | 56 | 85.2 Ų | 85.2 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 177.2 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | T206 I207 Q213 C214 | T206-V210 HydrophobicContact CG2-CG2 4.28Å; T206-V210 VanDerWaalsContact O-CB 3.22Å; T206-V210 WeakPolarHBondContact O-CB 3.43Å; T206-V210 WeakPolarHBondContact O-CG2 3.34Å; T206-V210 PolarHBondContact O-N 3.33Å; I207-V210 PolarHBondContact O-N 3.1Å; V210-Q213 PolarHBondContact O-N 3.05Å; V210-C214 VanDerWaalsContact O-CB 3.23Å; V210-C214 WeakPolarHBondContact O-CB 3.3Å; V210-C214 PolarHBondContact O-N 3.38Å; V210-C214 PolarHBondContact O-SG 3.05Å |
| 211 | M | 82.2 | Confident | 81 | Confident | 131 Ų | 131 | 85 Ų | 85 | 65% | 0.645 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | 174.6 | -70.2 | -129.5 | -64.8 | 0 | 0 | 111.9 | I207 A208 L209 C214 S215 | I207-M211 HydrophobicContact CG2-CG 4.29Å; I207-M211 WeakPolarHBondContact O-CB 3.3Å; I207-M211 WeakPolarHBondContact O-CG 3.42Å; I207-M211 PolarHBondContact O-N 2.91Å; A208-M211 PolarHBondContact O-N 3.41Å; L209-M211 VanDerWaalsContact C-N 3.33Å; M211-C214 PolarHBondContact O-N 2.78Å; M211-S215 WeakPolarHBondContact O-CB 3.29Å; M211-S215 PolarHBondContact O-N 3.43Å |
| 212 | T | 84.6 | Confident | 82 | Confident | 74 Ų | 74 | 84.1 Ų | 84.1 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | A208 L209 C214 S215 D216 | A208-T212 PolarHBondContact O-N 3Å; A208-T212 PolarHBondContact O-OG1 2.97Å; L209-T212 VanDerWaalsContact CA-OG1 3.32Å; L209-T212 WeakPolarHBondContact CA-OG1 3.21Å; L209-T212 PolarHBondContact O-N 2.96Å; L209-T212 PolarHBondContact O-OG1 3.21Å; T212-C214 PolarHBondContact O-N 3.39Å; T212-S215 PolarHBondContact O-N 3.48Å; T212-D216 WeakPolarHBondContact O-CB 3.45Å; T212-D216 PolarHBondContact O-N 2.82Å |
| 213 | Q | 81.5 | Confident | 83.4 | Confident | 72 Ų | 72 | 85.3 Ų | 85.3 | 34% | 0.336 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.4 | -75.5 | 174.6 | -11.3 | 0 | 0 | 112.1 | L209 V210 D216 A217 | L209-Q213 VanDerWaalsContact O-CB 3.3Å; L209-Q213 WeakPolarHBondContact O-CB 3.38Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3.34Å; V210-Q213 PolarHBondContact O-N 3.05Å; Q213-D216 PolarHBondContact O-N 3.4Å; Q213-A217 WeakPolarHBondContact O-CB 3.44Å; Q213-A217 PolarHBondContact O-N 3.04Å |
| 214 | C | 83 | Confident | 84.1 | Confident | 68 Ų | 68 | 86.1 Ų | 86.1 | 46% | 0.459 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 174 | -75.7 | 0 | 0 | 0 | 0 | 111 | V210 M211 T212 A217 L218 | V210-C214 VanDerWaalsContact O-CB 3.23Å; V210-C214 WeakPolarHBondContact O-CB 3.3Å; V210-C214 PolarHBondContact O-N 3.38Å; V210-C214 PolarHBondContact O-SG 3.05Å; M211-C214 PolarHBondContact O-N 2.78Å; T212-C214 PolarHBondContact O-N 3.39Å; C214-A217 PolarHBondContact O-N 2.82Å; C214-L218 WeakPolarHBondContact O-CB 3.49Å; C214-L218 VanDerWaalsContact O-CG 3.22Å; C214-L218 WeakPolarHBondContact O-CG 3.33Å; C214-L218 PolarHBondContact O-N 3.26Å |
| 215 | S | 86.4 | Confident | 84.5 | Confident | 53 Ų | 53 | 85 Ų | 85 | 37% | 0.371 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 175 | -175.9 | 0 | 0 | 0 | 0 | 112 | M211 T212 L218 K219 | M211-S215 WeakPolarHBondContact O-CB 3.29Å; M211-S215 PolarHBondContact O-N 3.43Å; T212-S215 PolarHBondContact O-N 3.48Å; S215-L218 PolarHBondContact O-N 3.46Å; S215-K219 WeakPolarHBondContact O-CG 3.25Å; S215-K219 PolarHBondContact O-N 3.38Å |
| 216 | D | 84.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 178 | -66.8 | -21.7 | 0 | 0 | 0 | 110.8 | T212 Q213 K219 L220 | T212-D216 WeakPolarHBondContact O-CB 3.45Å; T212-D216 PolarHBondContact O-N 2.82Å; Q213-D216 PolarHBondContact O-N 3.4Å; D216-K219 PolarHBondContact O-N 3.37Å; D216-L220 WeakPolarHBondContact O-CG 3.4Å; D216-L220 PolarHBondContact O-N 2.87Å |
| 217 | A | 84.6 | Confident | 85.8 | Confident | 43 Ų | 43 | 88.2 Ų | 88.2 | 36% | 0.355 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q213 C214 L220 L221 | Q213-A217 WeakPolarHBondContact O-CB 3.44Å; Q213-A217 PolarHBondContact O-N 3.04Å; C214-A217 PolarHBondContact O-N 2.82Å; A217-L220 PolarHBondContact O-N 3.09Å; A217-L221 VanDerWaalsContact O-CB 3.31Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 WeakPolarHBondContact O-CD1 3.42Å; A217-L221 WeakPolarHBondContact O-CG 3.31Å; A217-L221 PolarHBondContact O-N 3.43Å |
| 218 | L | 87.1 | Confident | 86.1 | Confident | 103 Ų | 103 | 88.5 Ų | 88.5 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 174 | -77.9 | 171 | 0 | 0 | 0 | 111.4 | C214 S215 L221 E222 | C214-L218 WeakPolarHBondContact O-CB 3.49Å; C214-L218 VanDerWaalsContact O-CG 3.22Å; C214-L218 WeakPolarHBondContact O-CG 3.33Å; C214-L218 PolarHBondContact O-N 3.26Å; S215-L218 PolarHBondContact O-N 3.46Å; L218-L221 PolarHBondContact O-N 2.94Å; L218-E222 WeakPolarHBondContact O-CB 3.3Å; L218-E222 VanDerWaalsContact O-CG 3.3Å; L218-E222 WeakPolarHBondContact O-CG 3.21Å; L218-E222 PolarHBondContact O-N 2.88Å |
| 219 | K | 89.8 | Confident | 86.4 | Confident | 109 Ų | 109 | 90.3 Ų | 90.3 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 174.6 | -73.5 | 173.3 | -176.8 | 172.2 | 0 | 112.2 | S215 D216 L221 E222 E223 | S215-K219 WeakPolarHBondContact O-CG 3.25Å; S215-K219 PolarHBondContact O-N 3.38Å; D216-K219 PolarHBondContact O-N 3.37Å; K219-L221 VanDerWaalsContact C-N 3.34Å; K219-L221 PolarHBondContact O-N 3.09Å; K219-E222 PolarHBondContact O-N 2.66Å; K219-E223 WeakPolarHBondContact O-CB 3.48Å; K219-E223 WeakPolarHBondContact O-CG 3.41Å; K219-E223 PolarHBondContact O-N 3.47Å |
| 220 | L | 88.7 | Confident | 87 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.3 | -71.2 | 171.5 | 0 | 0 | 0 | 111.7 | D216 A217 E223 E224 | D216-L220 WeakPolarHBondContact O-CG 3.4Å; D216-L220 PolarHBondContact O-N 2.87Å; A217-L220 PolarHBondContact O-N 3.09Å; L220-E223 PolarHBondContact O-N 3.35Å; L220-E224 WeakPolarHBondContact O-CB 3.31Å; L220-E224 WeakPolarHBondContact O-CG 3.28Å; L220-E224 PolarHBondContact O-N 2.75Å |
| 221 | L | 88.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 173.9 | -84.9 | 155.2 | 0 | 0 | 0 | 111.9 | A217 L218 K219 E224 V225 | A217-L221 VanDerWaalsContact O-CB 3.31Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 WeakPolarHBondContact O-CD1 3.42Å; A217-L221 WeakPolarHBondContact O-CG 3.31Å; A217-L221 PolarHBondContact O-N 3.43Å; L218-L221 PolarHBondContact O-N 2.94Å; K219-L221 VanDerWaalsContact C-N 3.34Å; K219-L221 PolarHBondContact O-N 3.09Å; L221-E224 PolarHBondContact O-N 3.09Å; L221-V225 WeakPolarHBondContact O-CB 3.4Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 2.99Å |
| 222 | E | 89.9 | Confident | 87.6 | Confident | 120 Ų | 120 | 91.3 Ų | 91.3 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 174.2 | -77 | 172.6 | -176.9 | 0 | 0 | 111.3 | L218 K219 V225 N226 | L218-E222 WeakPolarHBondContact O-CB 3.3Å; L218-E222 VanDerWaalsContact O-CG 3.3Å; L218-E222 WeakPolarHBondContact O-CG 3.21Å; L218-E222 PolarHBondContact O-N 2.88Å; K219-E222 PolarHBondContact O-N 2.66Å; E222-V225 PolarHBondContact O-N 3.18Å; E222-N226 WeakPolarHBondContact O-CB 3.31Å; E222-N226 PolarHBondContact O-N 3.11Å; E222-N226 PolarHBondContact O-ND2 2.87Å; E222-N226 VanDerWaalsContact O-ND2 3.11Å |
| 223 | E | 90.2 | Very high | 87.6 | Confident | 117 Ų | 117 | 94.6 Ų | 94.6 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 173 | -73.2 | 173.2 | -169.8 | 0 | 0 | 111.6 | K219 L220 N226 V227 | K219-E223 WeakPolarHBondContact O-CB 3.48Å; K219-E223 WeakPolarHBondContact O-CG 3.41Å; K219-E223 PolarHBondContact O-N 3.47Å; L220-E223 PolarHBondContact O-N 3.35Å; E223-N226 PolarHBondContact O-N 2.95Å; E223-V227 VanDerWaalsContact O-CG2 3.28Å; E223-V227 WeakPolarHBondContact O-CG2 3.35Å; E223-V227 PolarHBondContact O-N 3.24Å |
| 224 | E | 87.9 | Confident | 87.8 | Confident | 121 Ų | 121 | 96.5 Ų | 96.5 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 175.2 | -79.4 | -174.3 | 177.1 | 0 | 0 | 111.7 | L220 L221 V227 L228 | L220-E224 WeakPolarHBondContact O-CB 3.31Å; L220-E224 WeakPolarHBondContact O-CG 3.28Å; L220-E224 PolarHBondContact O-N 2.75Å; L221-E224 PolarHBondContact O-N 3.09Å; E224-V227 PolarHBondContact O-N 2.93Å; E224-L228 VanDerWaalsContact O-CB 3.3Å; E224-L228 WeakPolarHBondContact O-CB 3.45Å; E224-L228 WeakPolarHBondContact O-CG 3.42Å; E224-L228 PolarHBondContact O-N 3.34Å |
| 225 | V | 89.5 | Confident | 87.9 | Confident | 72 Ų | 72 | 98.1 Ų | 98.1 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | L221 E222 V227 L228 E229 | L221-V225 WeakPolarHBondContact O-CB 3.4Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 2.99Å; E222-V225 PolarHBondContact O-N 3.18Å; V225-V227 PolarHBondContact O-N 3.01Å; V225-L228 PolarHBondContact O-N 3.06Å; V225-E229 HydrophobicContact CG1-CG 4.36Å; V225-E229 WeakPolarHBondContact O-CB 3.35Å; V225-E229 WeakPolarHBondContact O-CG 3.49Å; V225-E229 PolarHBondContact O-N 2.94Å |
| 226 | N | 90.7 | Very high | 88 | Confident | 103 Ų | 103 | 99.5 Ų | 99.5 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 176.2 | -76.1 | -32 | 0 | 0 | 0 | 112.2 | E222 E223 E229 Y230 | E222-N226 WeakPolarHBondContact O-CB 3.31Å; E222-N226 PolarHBondContact O-N 3.11Å; E222-N226 PolarHBondContact O-ND2 2.87Å; E222-N226 VanDerWaalsContact O-ND2 3.11Å; E223-N226 PolarHBondContact O-N 2.95Å; N226-E229 PolarHBondContact O-N 3.46Å; N226-Y230 WeakPolarHBondContact O-CB 3.35Å; N226-Y230 PolarHBondContact O-N 3.49Å |
| 227 | V | 89.4 | Confident | 88.2 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111 | E223 E224 V225 Y230 L231 | E223-V227 VanDerWaalsContact O-CG2 3.28Å; E223-V227 WeakPolarHBondContact O-CG2 3.35Å; E223-V227 PolarHBondContact O-N 3.24Å; E224-V227 PolarHBondContact O-N 2.93Å; V225-V227 PolarHBondContact O-N 3.01Å; V227-Y230 PolarHBondContact O-N 3.23Å; V227-L231 HydrophobicContact CG1-CD1 3.98Å; V227-L231 HydrophobicContact CG1-CG 4.41Å; V227-L231 WeakPolarHBondContact O-CB 3.42Å; V227-L231 VanDerWaalsContact O-CG 3.27Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.19Å |
| 228 | L | 87.6 | Confident | 88.5 | Confident | 108 Ų | 108 | 99.9 Ų | 99.9 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -37.5 | 176.7 | -72.9 | 172.9 | 0 | 0 | 0 | 111.7 | E224 V225 L231 N232 | E224-L228 VanDerWaalsContact O-CB 3.3Å; E224-L228 WeakPolarHBondContact O-CB 3.45Å; E224-L228 WeakPolarHBondContact O-CG 3.42Å; E224-L228 PolarHBondContact O-N 3.34Å; V225-L228 PolarHBondContact O-N 3.06Å; L228-L231 HydrophobicContact CD2-CD1 4.49Å; L228-L231 PolarHBondContact O-N 3.07Å; L228-N232 WeakPolarHBondContact O-CB 3.45Å; L228-N232 PolarHBondContact O-N 2.97Å |
| 229 | E | 89.5 | Confident | 88.7 | Confident | 88 Ų | 88 | 98.5 Ų | 98.5 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 172.2 | -81.7 | -158.9 | -177.5 | 0 | 0 | 111.2 | V225 N226 N232 K233 | V225-E229 HydrophobicContact CG1-CG 4.36Å; V225-E229 WeakPolarHBondContact O-CB 3.35Å; V225-E229 WeakPolarHBondContact O-CG 3.49Å; V225-E229 PolarHBondContact O-N 2.94Å; N226-E229 PolarHBondContact O-N 3.46Å; E229-N232 PolarHBondContact O-N 2.92Å; E229-K233 WeakPolarHBondContact O-CB 3.29Å; E229-K233 WeakPolarHBondContact O-CG 3.15Å; E229-K233 PolarHBondContact O-N 3.15Å; E229-K233 IonicContact OE1-NZ 2.82Å; E229-K233 IonicContact OE2-NZ 3.14Å; E229-K233 PolarHBondContact OE2-NZ 2.94Å |
| 230 | Y | 89.8 | Confident | 88.6 | Confident | 131 Ų | 131 | 97.5 Ų | 97.5 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 174.2 | 173.1 | -97 | 0 | 0 | 0 | 111.5 | N226 V227 N232 E234 K235 | N226-Y230 WeakPolarHBondContact O-CB 3.35Å; N226-Y230 PolarHBondContact O-N 3.49Å; V227-Y230 PolarHBondContact O-N 3.23Å; Y230-N232 VanDerWaalsContact C-N 3.35Å; Y230-N232 PolarHBondContact O-N 2.94Å; Y230-E234 HydrophobicContact CE2-CB 4.35Å; Y230-E234 WeakPolarHBondContact CE2-OE2 3.43Å; Y230-E234 PolarHBondContact O-N 3.21Å; Y230-K235 HydrophobicContact CE1-CB 4.47Å; Y230-K235 PolarHBondContact O-N 3.35Å |
| 231 | L | 90 | Very high | 88.8 | Confident | 54 Ų | 54 | 95.1 Ų | 95.1 | 28% | 0.283 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -61.7 | -42.5 | 177.1 | -73.2 | 170.4 | 0 | 0 | 0 | 111.5 | V227 L228 K235 L236 | V227-L231 HydrophobicContact CG1-CD1 3.98Å; V227-L231 HydrophobicContact CG1-CG 4.41Å; V227-L231 WeakPolarHBondContact O-CB 3.42Å; V227-L231 VanDerWaalsContact O-CG 3.27Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.19Å; L228-L231 HydrophobicContact CD2-CD1 4.49Å; L228-L231 PolarHBondContact O-N 3.07Å; L231-K235 HydrophobicContact CD2-CB 4.05Å; L231-K235 HydrophobicContact CD2-CD 3.6Å; L231-K235 HydrophobicContact CD2-CG 4.42Å; L231-K235 PolarHBondContact O-N 3.43Å; L231-L236 HydrophobicContact CB-CD1 4.32Å; L231-L236 WeakPolarHBondContact O-CB 3.37Å; L231-L236 WeakPolarHBondContact O-CG 3.43Å; L231-L236 PolarHBondContact O-N 2.95Å |
| 232 | N | 86.5 | Confident | 88.9 | Confident | 115 Ų | 115 | 96.4 Ų | 96.4 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | I | π-helix | trans | -80.4 | -31.4 | -175 | -164.9 | 31.4 | 0 | 0 | 0 | 113.4 | L228 E229 Y230 P237 | L228-N232 WeakPolarHBondContact O-CB 3.45Å; L228-N232 PolarHBondContact O-N 2.97Å; E229-N232 PolarHBondContact O-N 2.92Å; Y230-N232 VanDerWaalsContact C-N 3.35Å; Y230-N232 PolarHBondContact O-N 2.94Å; N232-P237 WeakPolarHBondContact O-CD 3.12Å; N232-P237 WeakPolarHBondContact O-CG 3.4Å |
| 233 | K | 85.3 | Confident | 88.9 | Confident | 142 Ų | 142 | 99.1 Ų | 99.1 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | I | π-helix | trans | -87.6 | -37.1 | -179.4 | -70.8 | 175 | 178.7 | 164.1 | 0 | 113 | E229 | E229-K233 WeakPolarHBondContact O-CB 3.29Å; E229-K233 WeakPolarHBondContact O-CG 3.15Å; E229-K233 PolarHBondContact O-N 3.15Å; E229-K233 IonicContact OE1-NZ 2.82Å; E229-K233 IonicContact OE2-NZ 3.14Å; E229-K233 PolarHBondContact OE2-NZ 2.94Å |
| 234 | E | 84.5 | Confident | 88.9 | Confident | 112 Ų | 112 | 98.3 Ų | 98.3 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -111 | -65.4 | -175.9 | -66.3 | -171.3 | 178.6 | 0 | 0 | 111.4 | Y230 P237 T238 | Y230-E234 HydrophobicContact CE2-CB 4.35Å; Y230-E234 WeakPolarHBondContact CE2-OE2 3.43Å; Y230-E234 PolarHBondContact O-N 3.21Å; E234-P237 WeakPolarHBondContact O-CD 3.41Å; E234-T238 WeakPolarHBondContact O-CB 3.25Å; E234-T238 PolarHBondContact O-N 3.45Å; E234-T238 VanDerWaalsContact O-N 3.14Å; E234-T238 PolarHBondContact O-OG1 2.82Å |
| 235 | K | 86.4 | Confident | 89.1 | Confident | 103 Ų | 103 | 96 Ų | 96 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | I | π-helix | trans | -67.8 | -51.2 | -164.2 | -163 | -174.4 | 178.3 | -177.4 | 0 | 114 | Y230 L231 T238 D239 | Y230-K235 HydrophobicContact CE1-CB 4.47Å; Y230-K235 PolarHBondContact O-N 3.35Å; L231-K235 HydrophobicContact CD2-CB 4.05Å; L231-K235 HydrophobicContact CD2-CD 3.6Å; L231-K235 HydrophobicContact CD2-CG 4.42Å; L231-K235 PolarHBondContact O-N 3.43Å; K235-T238 PolarHBondContact O-N 2.92Å; K235-D239 WeakPolarHBondContact O-CB 3.41Å; K235-D239 VanDerWaalsContact O-CG 3.23Å; K235-D239 PolarHBondContact O-N 2.97Å |
| 236 | L | 86.9 | Confident | 89 | Confident | 82 Ų | 82 | 95 Ų | 95 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | -178.3 | -79.4 | 157.7 | 0 | 0 | 0 | 111.8 | L231 T238 D239 I240 | L231-L236 HydrophobicContact CB-CD1 4.32Å; L231-L236 WeakPolarHBondContact O-CB 3.37Å; L231-L236 WeakPolarHBondContact O-CG 3.43Å; L231-L236 PolarHBondContact O-N 2.95Å; L236-T238 VanDerWaalsContact C-N 3.31Å; L236-T238 PolarHBondContact O-N 3.28Å; L236-D239 PolarHBondContact O-N 3.02Å; L236-I240 VanDerWaalsContact O-CB 3.29Å; L236-I240 WeakPolarHBondContact O-CB 3.18Å; L236-I240 WeakPolarHBondContact O-CD1 3.34Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 3Å |
| 237 | P | 89.4 | Confident | 88.9 | Confident | 60 Ų | 60 | 94.8 Ų | 94.8 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.5 | -41.2 | 174.4 | -27.5 | 36.2 | 0 | 0 | 0 | 113.1 | N232 E234 A241 | N232-P237 WeakPolarHBondContact O-CD 3.12Å; N232-P237 WeakPolarHBondContact O-CG 3.4Å; E234-P237 WeakPolarHBondContact O-CD 3.41Å; P237-A241 VanDerWaalsContact O-CB 3.28Å; P237-A241 WeakPolarHBondContact O-CB 3.36Å; P237-A241 PolarHBondContact O-N 3.39Å |
| 238 | T | 91.2 | Very high | 88.9 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 47% | 0.466 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | E234 K235 L236 I240 A241 E242 | E234-T238 WeakPolarHBondContact O-CB 3.25Å; E234-T238 PolarHBondContact O-N 3.45Å; E234-T238 VanDerWaalsContact O-N 3.14Å; E234-T238 PolarHBondContact O-OG1 2.82Å; K235-T238 PolarHBondContact O-N 2.92Å; L236-T238 VanDerWaalsContact C-N 3.31Å; L236-T238 PolarHBondContact O-N 3.28Å; T238-I240 VanDerWaalsContact C-N 3.3Å; T238-I240 PolarHBondContact O-N 3.32Å; T238-A241 PolarHBondContact O-N 3.36Å; T238-E242 WeakPolarHBondContact O-CG 3.38Å; T238-E242 PolarHBondContact O-N 2.98Å |
| 239 | D | 90.3 | Very high | 88.8 | Confident | 74 Ų | 74 | 100 Ų | 100 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 179.3 | -71.7 | -7 | 0 | 0 | 0 | 111.3 | K235 L236 R243 | K235-D239 WeakPolarHBondContact O-CB 3.41Å; K235-D239 VanDerWaalsContact O-CG 3.23Å; K235-D239 PolarHBondContact O-N 2.97Å; L236-D239 PolarHBondContact O-N 3.02Å; D239-R243 WeakPolarHBondContact O-CB 3.5Å; D239-R243 PolarHBondContact O-N 3.39Å |
| 240 | I | 89 | Confident | 88.6 | Confident | 88 Ų | 88 | 101.2 Ų | 101.2 | 45% | 0.451 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -47.4 | 175.7 | -70 | 165.9 | 0 | 0 | 0 | 110.3 | L236 T238 E242 R243 E244 | L236-I240 VanDerWaalsContact O-CB 3.29Å; L236-I240 WeakPolarHBondContact O-CB 3.18Å; L236-I240 WeakPolarHBondContact O-CD1 3.34Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 3Å; T238-I240 VanDerWaalsContact C-N 3.3Å; T238-I240 PolarHBondContact O-N 3.32Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 2.92Å; I240-R243 WeakPolarHBondContact O-CB 3.08Å; I240-R243 PolarHBondContact O-N 3.41Å; I240-R243 VanDerWaalsContact O-N 3.11Å; I240-E244 HydrophobicContact CG2-CG 4.24Å; I240-E244 WeakPolarHBondContact O-CB 3.25Å; I240-E244 WeakPolarHBondContact O-CG 3.3Å; I240-E244 PolarHBondContact O-N 3.36Å |
| 241 | A | 91.4 | Very high | 88.2 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P237 T238 E244 E245 | P237-A241 VanDerWaalsContact O-CB 3.28Å; P237-A241 WeakPolarHBondContact O-CB 3.36Å; P237-A241 PolarHBondContact O-N 3.39Å; T238-A241 PolarHBondContact O-N 3.36Å; A241-E244 PolarHBondContact O-N 2.84Å; A241-E245 WeakPolarHBondContact O-CB 3.5Å; A241-E245 PolarHBondContact O-N 3.33Å |
| 242 | E | 91.3 | Very high | 87.9 | Confident | 121 Ų | 121 | 102.9 Ų | 102.9 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 173 | -72.6 | -176 | -177.8 | 0 | 0 | 111.5 | T238 I240 E245 T246 | T238-E242 WeakPolarHBondContact O-CG 3.38Å; T238-E242 PolarHBondContact O-N 2.98Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 2.92Å; E242-E245 PolarHBondContact O-N 3.32Å; E242-T246 WeakPolarHBondContact O-CG2 3.45Å; E242-T246 PolarHBondContact O-N 3.18Å; E242-T246 PolarHBondContact O-OG1 3.44Å |
| 243 | R | 90.1 | Very high | 87.5 | Confident | 178 Ų | 178 | 99.3 Ų | 99.3 | 67% | 0.672 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 177.7 | -151.4 | 82.9 | 171.4 | 116.4 | -2 | 111.7 | D239 I240 E245 T246 L247 | D239-R243 WeakPolarHBondContact O-CB 3.5Å; D239-R243 PolarHBondContact O-N 3.39Å; I240-R243 WeakPolarHBondContact O-CB 3.08Å; I240-R243 PolarHBondContact O-N 3.41Å; I240-R243 VanDerWaalsContact O-N 3.11Å; R243-E245 VanDerWaalsContact C-N 3.34Å; R243-E245 PolarHBondContact O-N 3.44Å; R243-T246 WeakPolarHBondContact CA-OG1 3.39Å; R243-T246 PolarHBondContact O-N 2.87Å; R243-T246 PolarHBondContact O-OG1 3.28Å; R243-L247 PolarHBondContact O-N 3.05Å |
| 244 | E | 90.7 | Very high | 86.9 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 175.7 | -74.9 | -177.6 | 174 | 0 | 0 | 111.5 | I240 A241 L247 R248 | I240-E244 HydrophobicContact CG2-CG 4.24Å; I240-E244 WeakPolarHBondContact O-CB 3.25Å; I240-E244 WeakPolarHBondContact O-CG 3.3Å; I240-E244 PolarHBondContact O-N 3.36Å; A241-E244 PolarHBondContact O-N 2.84Å; E244-L247 PolarHBondContact O-N 3.42Å; E244-R248 WeakPolarHBondContact O-CG 3.27Å; E244-R248 PolarHBondContact O-N 3.4Å |
| 245 | E | 91 | Very high | 86.4 | Confident | 71 Ų | 71 | 94.4 Ų | 94.4 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 174.8 | 176.2 | 59.8 | -166.2 | 0 | 0 | 111.6 | A241 E242 R243 L247 R248 R249 | A241-E245 WeakPolarHBondContact O-CB 3.5Å; A241-E245 PolarHBondContact O-N 3.33Å; E242-E245 PolarHBondContact O-N 3.32Å; R243-E245 VanDerWaalsContact C-N 3.34Å; R243-E245 PolarHBondContact O-N 3.44Å; E245-L247 VanDerWaalsContact C-N 3.31Å; E245-L247 PolarHBondContact O-N 3.49Å; E245-R248 PolarHBondContact O-N 3.32Å; E245-R249 WeakPolarHBondContact O-CG 3.5Å; E245-R249 PolarHBondContact O-N 3.35Å; E245-R249 IonicContact OE1-CZ 2.72Å; E245-R249 VanDerWaalsContact OE1-CZ 3.3Å; E245-R249 IonicContact OE1-NE 3.98Å; E245-R249 PolarHBondContact OE1-NE 2.97Å; E245-R249 IonicContact OE1-NH2 3.13Å; E245-R249 PolarHBondContact OE1-NH2 3.01Å |
| 246 | T | 89.1 | Confident | 85.6 | Confident | 53 Ų | 53 | 94.4 Ų | 94.4 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 173.8 | 61.9 | 0 | 0 | 0 | 0 | 112 | E242 R243 R249 L250 | E242-T246 WeakPolarHBondContact O-CG2 3.45Å; E242-T246 PolarHBondContact O-N 3.18Å; E242-T246 PolarHBondContact O-OG1 3.44Å; R243-T246 WeakPolarHBondContact CA-OG1 3.39Å; R243-T246 PolarHBondContact O-N 2.87Å; R243-T246 PolarHBondContact O-OG1 3.28Å; T246-R249 PolarHBondContact O-N 3.22Å; T246-L250 WeakPolarHBondContact O-CB 3.28Å; T246-L250 VanDerWaalsContact O-CG 3.28Å; T246-L250 WeakPolarHBondContact O-CG 3.31Å; T246-L250 PolarHBondContact O-N 2.9Å |
| 247 | L | 87.3 | Confident | 84.5 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 175.1 | -80.8 | 170.3 | 0 | 0 | 0 | 111.4 | R243 E244 E245 R249 L250 Q251 | R243-L247 PolarHBondContact O-N 3.05Å; E244-L247 PolarHBondContact O-N 3.42Å; E245-L247 VanDerWaalsContact C-N 3.31Å; E245-L247 PolarHBondContact O-N 3.49Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-R249 PolarHBondContact O-N 2.76Å; L247-L250 PolarHBondContact O-N 3.21Å; L247-Q251 WeakPolarHBondContact O-CB 3.42Å; L247-Q251 WeakPolarHBondContact O-CG 3.37Å; L247-Q251 PolarHBondContact O-N 2.93Å |
| 248 | R | 89 | Confident | 83 | Confident | 145 Ų | 145 | 99.8 Ų | 99.8 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 174.3 | -75.3 | -176.4 | -165.4 | 158.4 | 6.2 | 111.8 | E244 E245 L250 Q251 L252 | E244-R248 WeakPolarHBondContact O-CG 3.27Å; E244-R248 PolarHBondContact O-N 3.4Å; E245-R248 PolarHBondContact O-N 3.32Å; R248-L250 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.01Å; R248-Q251 PolarHBondContact O-N 3.11Å; R248-L252 WeakPolarHBondContact O-CB 3.26Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 2.91Å |
| 249 | R | 87 | Confident | 81.4 | Confident | 156 Ų | 156 | 99.5 Ų | 99.5 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 176.3 | -72.4 | 178.6 | -169.5 | 171.8 | 5.8 | 112.2 | E245 T246 L247 A253 | E245-R249 WeakPolarHBondContact O-CG 3.5Å; E245-R249 PolarHBondContact O-N 3.35Å; E245-R249 IonicContact OE1-CZ 2.72Å; E245-R249 VanDerWaalsContact OE1-CZ 3.3Å; E245-R249 IonicContact OE1-NE 3.98Å; E245-R249 PolarHBondContact OE1-NE 2.97Å; E245-R249 IonicContact OE1-NH2 3.13Å; E245-R249 PolarHBondContact OE1-NH2 3.01Å; T246-R249 PolarHBondContact O-N 3.22Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-R249 PolarHBondContact O-N 2.76Å; R249-A253 VanDerWaalsContact O-CB 3.23Å; R249-A253 WeakPolarHBondContact O-CB 3.29Å; R249-A253 PolarHBondContact O-N 2.95Å |
| 250 | L | 83.6 | Confident | 79.7 | Confident | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.8 | -38 | 176.9 | -72.7 | 173.2 | 0 | 0 | 0 | 111.9 | T246 L247 R248 A253 A254 | T246-L250 WeakPolarHBondContact O-CB 3.28Å; T246-L250 VanDerWaalsContact O-CG 3.28Å; T246-L250 WeakPolarHBondContact O-CG 3.31Å; T246-L250 PolarHBondContact O-N 2.9Å; L247-L250 PolarHBondContact O-N 3.21Å; R248-L250 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.01Å; L250-A253 PolarHBondContact O-N 3.32Å; L250-A254 VanDerWaalsContact O-CB 3.25Å; L250-A254 WeakPolarHBondContact O-CB 3.48Å; L250-A254 PolarHBondContact O-N 2.86Å |
| 251 | Q | 81.8 | Confident | 78.1 | Confident | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -50.4 | 172.3 | -76.1 | 174.1 | -28.8 | 0 | 0 | 110.7 | L247 R248 A253 A254 D255 | L247-Q251 WeakPolarHBondContact O-CB 3.42Å; L247-Q251 WeakPolarHBondContact O-CG 3.37Å; L247-Q251 PolarHBondContact O-N 2.93Å; R248-Q251 PolarHBondContact O-N 3.11Å; Q251-A253 VanDerWaalsContact C-N 3.28Å; Q251-A253 PolarHBondContact O-N 2.94Å; Q251-A254 CarbonylContact O-C 3.58Å; Q251-A254 WeakPolarHBondContact O-CB 3.29Å; Q251-A254 PolarHBondContact O-N 2.91Å; Q251-D255 WeakPolarHBondContact O-CB 3.31Å; Q251-D255 PolarHBondContact O-N 3.29Å |
| 252 | L | 83.1 | Confident | 76.5 | Confident | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -40.9 | 174.2 | -73.6 | 170.1 | 0 | 0 | 0 | 111.9 | R248 Q256 | R248-L252 WeakPolarHBondContact O-CB 3.26Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 2.91Å; L252-Q256 WeakPolarHBondContact O-CB 3.34Å; L252-Q256 WeakPolarHBondContact O-CG 3.35Å; L252-Q256 PolarHBondContact O-N 3.28Å |
| 253 | A | 78.3 | Confident | 74.9 | Confident | 40 Ų | 40 | 103.2 Ų | 103.2 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.4 | -34.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R249 L250 Q251 K257 | R249-A253 VanDerWaalsContact O-CB 3.23Å; R249-A253 WeakPolarHBondContact O-CB 3.29Å; R249-A253 PolarHBondContact O-N 2.95Å; L250-A253 PolarHBondContact O-N 3.32Å; Q251-A253 VanDerWaalsContact C-N 3.28Å; Q251-A253 PolarHBondContact O-N 2.94Å; A253-K257 WeakPolarHBondContact O-CB 3.32Å; A253-K257 VanDerWaalsContact O-CG 3.25Å; A253-K257 WeakPolarHBondContact O-CG 3.42Å; A253-K257 PolarHBondContact O-N 3.28Å |
| 254 | A | 73.8 | Confident | 73.4 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L250 Q251 K257 L258 | L250-A254 VanDerWaalsContact O-CB 3.25Å; L250-A254 WeakPolarHBondContact O-CB 3.48Å; L250-A254 PolarHBondContact O-N 2.86Å; Q251-A254 CarbonylContact O-C 3.58Å; Q251-A254 WeakPolarHBondContact O-CB 3.29Å; Q251-A254 PolarHBondContact O-N 2.91Å; A254-K257 PolarHBondContact O-N 3.38Å; A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 PolarHBondContact O-N 2.85Å |
| 255 | D | 74 | Confident | 72 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 175.9 | -68.8 | -19.4 | 0 | 0 | 0 | 110.8 | Q251 K257 L258 S259 | Q251-D255 WeakPolarHBondContact O-CB 3.31Å; Q251-D255 PolarHBondContact O-N 3.29Å; D255-K257 PolarHBondContact O-N 3.48Å; D255-L258 CarbonylContact O-C 3.55Å; D255-L258 WeakPolarHBondContact O-CB 3.43Å; D255-L258 PolarHBondContact O-N 3.21Å; D255-L258 VanDerWaalsContact O-N 3.12Å; D255-S259 WeakPolarHBondContact O-CB 3.5Å; D255-S259 PolarHBondContact O-N 3.38Å; D255-S259 PolarHBondContact O-OG 2.94Å; D255-S259 VanDerWaalsContact O-OG 3.09Å |
| 256 | Q | 68.2 | Low | 70.7 | Confident | 104 Ų | 104 | 97.3 Ų | 97.3 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 174.8 | -76.3 | 176.9 | 16.2 | 0 | 0 | 112.3 | L252 L258 R260 | L252-Q256 WeakPolarHBondContact O-CB 3.34Å; L252-Q256 WeakPolarHBondContact O-CG 3.35Å; L252-Q256 PolarHBondContact O-N 3.28Å; Q256-L258 VanDerWaalsContact C-N 3.32Å; Q256-R260 WeakPolarHBondContact O-CB 3.3Å; Q256-R260 WeakPolarHBondContact O-CG 3.29Å; Q256-R260 PolarHBondContact O-N 3.49Å |
| 257 | K | 64.1 | Low | 69.4 | Low | 161 Ų | 161 | 99.9 Ų | 99.9 | 70% | 0.7 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -37.1 | 173 | -83.7 | -177.6 | 178.7 | -176.3 | 0 | 110.9 | A253 A254 D255 S261 | A253-K257 WeakPolarHBondContact O-CB 3.32Å; A253-K257 VanDerWaalsContact O-CG 3.25Å; A253-K257 WeakPolarHBondContact O-CG 3.42Å; A253-K257 PolarHBondContact O-N 3.28Å; A254-K257 PolarHBondContact O-N 3.38Å; D255-K257 PolarHBondContact O-N 3.48Å; K257-S261 WeakPolarHBondContact O-CB 3.35Å; K257-S261 PolarHBondContact O-N 2.85Å; K257-S261 PolarHBondContact O-OG 2.99Å |
| 258 | L | 58.2 | Low | 68.2 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -49.6 | 176.5 | -162.7 | 72.9 | 0 | 0 | 0 | 110.3 | A254 D255 Q256 S261 L262 | A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 PolarHBondContact O-N 2.85Å; D255-L258 CarbonylContact O-C 3.55Å; D255-L258 WeakPolarHBondContact O-CB 3.43Å; D255-L258 PolarHBondContact O-N 3.21Å; D255-L258 VanDerWaalsContact O-N 3.12Å; Q256-L258 VanDerWaalsContact C-N 3.32Å; L258-S261 PolarHBondContact O-N 3.09Å; L258-S261 PolarHBondContact O-OG 3.27Å; L258-L262 PolarHBondContact O-N 3.36Å |
| 259 | S | 58.2 | Low | 67 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 49% | 0.49 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | D255 S261 L262 D263 | D255-S259 WeakPolarHBondContact O-CB 3.5Å; D255-S259 PolarHBondContact O-N 3.38Å; D255-S259 PolarHBondContact O-OG 2.94Å; D255-S259 VanDerWaalsContact O-OG 3.09Å; S259-S261 VanDerWaalsContact C-N 3.32Å; S259-S261 PolarHBondContact O-N 3.45Å; S259-L262 WeakPolarHBondContact O-CB 3.36Å; S259-L262 PolarHBondContact O-N 3.09Å; S259-L262 VanDerWaalsContact O-N 3.13Å; S259-D263 PolarHBondContact O-N 3.28Å |
| 260 | R | 53.3 | Low | 66.3 | Low | 169 Ų | 169 | 96 Ų | 96 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -37.7 | 175.5 | -79.7 | -177.9 | 173.1 | 155.4 | 0.1 | 111.7 | Q256 L262 D263 L264 | Q256-R260 WeakPolarHBondContact O-CB 3.3Å; Q256-R260 WeakPolarHBondContact O-CG 3.29Å; Q256-R260 PolarHBondContact O-N 3.49Å; R260-L262 VanDerWaalsContact C-N 3.31Å; R260-D263 PolarHBondContact O-N 2.97Å; R260-L264 HydrophobicContact CB-CD1 4.34Å; R260-L264 WeakPolarHBondContact O-CB 3.43Å; R260-L264 WeakPolarHBondContact O-CD1 3.38Å; R260-L264 VanDerWaalsContact O-CG 3.31Å; R260-L264 WeakPolarHBondContact O-CG 3.13Å; R260-L264 PolarHBondContact O-N 3.46Å |
| 261 | S | 55.8 | Low | 65.9 | Low | 41 Ų | 41 | 94.4 Ų | 94.4 | 29% | 0.287 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 175.1 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | K257 L258 S259 T265 | K257-S261 WeakPolarHBondContact O-CB 3.35Å; K257-S261 PolarHBondContact O-N 2.85Å; K257-S261 PolarHBondContact O-OG 2.99Å; L258-S261 PolarHBondContact O-N 3.09Å; L258-S261 PolarHBondContact O-OG 3.27Å; S259-S261 VanDerWaalsContact C-N 3.32Å; S259-S261 PolarHBondContact O-N 3.45Å; S261-T265 WeakPolarHBondContact O-CB 3.49Å; S261-T265 WeakPolarHBondContact O-CG2 3.44Å; S261-T265 PolarHBondContact O-N 3.48Å; S261-T265 PolarHBondContact O-OG1 3.32Å |
| 262 | L | 57.9 | Low | 65.6 | Low | 98 Ų | 98 | 92 Ų | 92 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -51.7 | 175.2 | -145.9 | 80.4 | 0 | 0 | 0 | 110.2 | L258 S259 R260 T265 D266 | L258-L262 PolarHBondContact O-N 3.36Å; S259-L262 WeakPolarHBondContact O-CB 3.36Å; S259-L262 PolarHBondContact O-N 3.09Å; S259-L262 VanDerWaalsContact O-N 3.13Å; R260-L262 VanDerWaalsContact C-N 3.31Å; L262-T265 PolarHBondContact O-N 2.85Å; L262-T265 PolarHBondContact O-OG1 2.88Å; L262-D266 PolarHBondContact O-N 3.28Å |
| 263 | D | 58.2 | Low | 65.2 | Low | 106 Ų | 106 | 92 Ų | 92 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.2 | -41.2 | 179.6 | -70.8 | -18.6 | 0 | 0 | 0 | 112.8 | S259 R260 D266 L267 | S259-D263 PolarHBondContact O-N 3.28Å; R260-D263 PolarHBondContact O-N 2.97Å; D263-D266 PolarHBondContact O-N 3.12Å; D263-L267 PolarHBondContact O-N 2.66Å |
| 264 | L | 59.6 | Low | 65.1 | Low | 92 Ų | 92 | 92.1 Ų | 92.1 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 176.8 | -83.6 | 155.3 | 0 | 0 | 0 | 111.2 | R260 D266 L267 E268 | R260-L264 HydrophobicContact CB-CD1 4.34Å; R260-L264 WeakPolarHBondContact O-CB 3.43Å; R260-L264 WeakPolarHBondContact O-CD1 3.38Å; R260-L264 VanDerWaalsContact O-CG 3.31Å; R260-L264 WeakPolarHBondContact O-CG 3.13Å; R260-L264 PolarHBondContact O-N 3.46Å; L264-D266 PolarHBondContact O-N 3.32Å; L264-L267 PolarHBondContact O-N 3.16Å; L264-E268 WeakPolarHBondContact O-CB 3.45Å; L264-E268 WeakPolarHBondContact O-CG 3.23Å; L264-E268 PolarHBondContact O-N 3.02Å |
| 265 | T | 60.4 | Low | 65.2 | Low | 57 Ų | 57 | 93.6 Ų | 93.6 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | S261 L262 L269 | S261-T265 WeakPolarHBondContact O-CB 3.49Å; S261-T265 WeakPolarHBondContact O-CG2 3.44Å; S261-T265 PolarHBondContact O-N 3.48Å; S261-T265 PolarHBondContact O-OG1 3.32Å; L262-T265 PolarHBondContact O-N 2.85Å; L262-T265 PolarHBondContact O-OG1 2.88Å; T265-L269 WeakPolarHBondContact O-CD1 3.27Å; T265-L269 PolarHBondContact O-N 3.39Å; T265-L269 VanDerWaalsContact O-N 3.12Å |
| 266 | D | 63 | Low | 65.6 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.2 | -38 | 173.5 | -85.3 | -1.1 | 0 | 0 | 0 | 111.2 | R128 L262 D263 L264 L269 Q270 | R128-D266 IonicContact CZ-OD1 2.82Å; R128-D266 IonicContact NH1-OD1 2.97Å; R128-D266 PolarHBondContact NH1-OD1 2.97Å; L262-D266 PolarHBondContact O-N 3.28Å; D263-D266 PolarHBondContact O-N 3.12Å; L264-D266 PolarHBondContact O-N 3.32Å; D266-L269 PolarHBondContact O-N 2.87Å; D266-Q270 WeakPolarHBondContact O-CG 3.49Å; D266-Q270 PolarHBondContact O-N 3.39Å; D266-Q270 VanDerWaalsContact O-N 3.09Å |
| 267 | L | 62.5 | Low | 66.2 | Low | 106 Ų | 106 | 93.5 Ų | 93.5 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.2 | -42.5 | 172.7 | -109.2 | 77.6 | 0 | 0 | 0 | 112.8 | D263 L264 L269 Q270 V271 | D263-L267 PolarHBondContact O-N 2.66Å; L264-L267 PolarHBondContact O-N 3.16Å; L267-L269 PolarHBondContact O-N 3.28Å; L267-Q270 PolarHBondContact O-N 3.4Å; L267-Q270 VanDerWaalsContact O-N 3.08Å; L267-V271 WeakPolarHBondContact O-CG2 3.43Å; L267-V271 PolarHBondContact O-N 3.29Å |
| 268 | E | 61.9 | Low | 67 | Low | 128 Ų | 128 | 90 Ų | 90 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.4 | -25.5 | 178 | -78.9 | 178.2 | 173.6 | 0 | 0 | 112 | L264 P272 | L264-E268 WeakPolarHBondContact O-CB 3.45Å; L264-E268 WeakPolarHBondContact O-CG 3.23Å; L264-E268 PolarHBondContact O-N 3.02Å; E268-P272 WeakPolarHBondContact O-CD 3.05Å; E268-P272 WeakPolarHBondContact O-CG 3.5Å |
| 269 | L | 64.4 | Low | 68.1 | Low | 65 Ų | 65 | 95.1 Ų | 95.1 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -79.8 | -32.8 | 169.4 | -105.9 | 122.6 | 0 | 0 | 0 | 113 | Q132 T265 D266 L267 P272 I273 | Q132-L269 VanDerWaalsContact NE2-CD1 3.35Å; T265-L269 WeakPolarHBondContact O-CD1 3.27Å; T265-L269 PolarHBondContact O-N 3.39Å; T265-L269 VanDerWaalsContact O-N 3.12Å; D266-L269 PolarHBondContact O-N 2.87Å; L267-L269 PolarHBondContact O-N 3.28Å; L269-P272 WeakPolarHBondContact O-CD 3.43Å; L269-I273 WeakPolarHBondContact O-CD1 3.4Å; L269-I273 WeakPolarHBondContact O-CG1 3.36Å |
| 270 | Q | 72 | Confident | 69 | Low | 125 Ų | 125 | 94.5 Ų | 94.5 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.8 | -32.5 | 176.4 | -76.4 | -176.8 | 3.7 | 0 | 0 | 112.5 | D266 L267 I273 A274 | D266-Q270 WeakPolarHBondContact O-CG 3.49Å; D266-Q270 PolarHBondContact O-N 3.39Å; D266-Q270 VanDerWaalsContact O-N 3.09Å; L267-Q270 PolarHBondContact O-N 3.4Å; L267-Q270 VanDerWaalsContact O-N 3.08Å; Q270-I273 PolarHBondContact O-N 3.04Å; Q270-A274 VanDerWaalsContact O-CB 3.27Å; Q270-A274 WeakPolarHBondContact O-CB 3.31Å; Q270-A274 PolarHBondContact O-N 3.25Å |
| 271 | V | 74.4 | Confident | 70.5 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | -179.5 | 170.4 | 0 | 0 | 0 | 0 | 113.4 | L267 I273 A274 N275 | L267-V271 WeakPolarHBondContact O-CG2 3.43Å; L267-V271 PolarHBondContact O-N 3.29Å; V271-I273 PolarHBondContact O-N 3Å; V271-A274 PolarHBondContact O-N 3.14Å; V271-N275 WeakPolarHBondContact O-CB 3.34Å; V271-N275 VanDerWaalsContact O-CG 3.26Å; V271-N275 PolarHBondContact O-N 2.82Å; V271-N275 PolarHBondContact O-ND2 3.49Å |
| 272 | P | 76 | Confident | 71.7 | Confident | 70 Ų | 70 | 92.5 Ų | 92.5 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 173.6 | -23.1 | 29.4 | 0 | 0 | 0 | 112.9 | E268 L269 N275 V276 | E268-P272 WeakPolarHBondContact O-CD 3.05Å; E268-P272 WeakPolarHBondContact O-CG 3.5Å; L269-P272 WeakPolarHBondContact O-CD 3.43Å; P272-N275 PolarHBondContact O-N 3.11Å; P272-V276 WeakPolarHBondContact O-CG2 3.18Å; P272-V276 PolarHBondContact O-N 3.47Å |
| 273 | I | 74.4 | Confident | 73 | Confident | 100 Ų | 100 | 94.5 Ų | 94.5 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 178.6 | -63.8 | 170.7 | 0 | 0 | 0 | 109.8 | L269 Q270 V271 N275 V276 I277 | L269-I273 WeakPolarHBondContact O-CD1 3.4Å; L269-I273 WeakPolarHBondContact O-CG1 3.36Å; Q270-I273 PolarHBondContact O-N 3.04Å; V271-I273 PolarHBondContact O-N 3Å; I273-N275 VanDerWaalsContact C-N 3.32Å; I273-N275 PolarHBondContact O-N 3.26Å; I273-V276 PolarHBondContact O-N 3.42Å; I273-I277 HydrophobicContact CG2-CD1 3.99Å; I273-I277 WeakPolarHBondContact O-CG1 3.37Å; I273-I277 PolarHBondContact O-N 3.32Å |
| 274 | A | 76.3 | Confident | 74.3 | Confident | 43 Ų | 43 | 94.8 Ų | 94.8 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q270 V271 V276 I277 I278 | Q270-A274 VanDerWaalsContact O-CB 3.27Å; Q270-A274 WeakPolarHBondContact O-CB 3.31Å; Q270-A274 PolarHBondContact O-N 3.25Å; V271-A274 PolarHBondContact O-N 3.14Å; A274-V276 PolarHBondContact O-N 2.79Å; A274-I277 PolarHBondContact O-N 2.98Å; A274-I278 WeakPolarHBondContact O-CB 3.22Å; A274-I278 WeakPolarHBondContact O-CG1 3.44Å; A274-I278 PolarHBondContact O-N 2.89Å |
| 275 | N | 77.6 | Confident | 75.5 | Confident | 85 Ų | 85 | 98.7 Ų | 98.7 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 176.5 | -79.8 | -28 | 0 | 0 | 0 | 112.9 | V271 P272 I273 R279 | V271-N275 WeakPolarHBondContact O-CB 3.34Å; V271-N275 VanDerWaalsContact O-CG 3.26Å; V271-N275 PolarHBondContact O-N 2.82Å; V271-N275 PolarHBondContact O-ND2 3.49Å; P272-N275 PolarHBondContact O-N 3.11Å; I273-N275 VanDerWaalsContact C-N 3.32Å; I273-N275 PolarHBondContact O-N 3.26Å; N275-R279 WeakPolarHBondContact O-CB 3.41Å; N275-R279 PolarHBondContact O-N 2.96Å |
| 276 | V | 81.6 | Confident | 76.7 | Confident | 102 Ų | 102 | 103.4 Ų | 103.4 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -44.1 | 173.5 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | P272 I273 A274 R279 S280 | P272-V276 WeakPolarHBondContact O-CG2 3.18Å; P272-V276 PolarHBondContact O-N 3.47Å; I273-V276 PolarHBondContact O-N 3.42Å; A274-V276 PolarHBondContact O-N 2.79Å; V276-R279 PolarHBondContact O-N 2.81Å; V276-S280 PolarHBondContact O-N 3.45Å; V276-S280 PolarHBondContact O-OG 2.9Å |
| 277 | I | 80 | Confident | 77.8 | Confident | 95 Ų | 95 | 103.4 Ų | 103.4 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.8 | -64.4 | 166.7 | 0 | 0 | 0 | 111.1 | I273 A274 S280 T281 | I273-I277 HydrophobicContact CG2-CD1 3.99Å; I273-I277 WeakPolarHBondContact O-CG1 3.37Å; I273-I277 PolarHBondContact O-N 3.32Å; A274-I277 PolarHBondContact O-N 2.98Å; I277-S280 PolarHBondContact O-N 3.43Å; I277-S280 PolarHBondContact O-OG 2.74Å; I277-T281 HydrophobicContact CG2-CG2 4.37Å; I277-T281 WeakPolarHBondContact O-CB 3.37Å; I277-T281 VanDerWaalsContact O-CG2 3.29Å; I277-T281 WeakPolarHBondContact O-CG2 3.47Å; I277-T281 PolarHBondContact O-N 3.46Å; I277-T281 PolarHBondContact O-OG1 3Å |
| 278 | I | 81.6 | Confident | 78.8 | Confident | 87 Ų | 87 | 104 Ų | 104 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.1 | -70 | 164.5 | 0 | 0 | 0 | 110.5 | A274 T281 L282 | A274-I278 WeakPolarHBondContact O-CB 3.22Å; A274-I278 WeakPolarHBondContact O-CG1 3.44Å; A274-I278 PolarHBondContact O-N 2.89Å; I278-T281 WeakPolarHBondContact CA-OG1 3.47Å; I278-T281 PolarHBondContact O-OG1 3.47Å; I278-L282 HydrophobicContact CG2-CD1 3.81Å; I278-L282 HydrophobicContact CG2-CG 4.34Å; I278-L282 VanDerWaalsContact O-CB 3.3Å; I278-L282 WeakPolarHBondContact O-CB 3.47Å; I278-L282 VanDerWaalsContact O-CG 3.3Å; I278-L282 WeakPolarHBondContact O-CG 3.41Å; I278-L282 PolarHBondContact O-N 3Å |
| 279 | R | 80.9 | Confident | 80 | Confident | 203 Ų | 203 | 102 Ų | 102 | 77% | 0.766 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 176 | -85.7 | -176.3 | -178.1 | 172.2 | 2.1 | 112.3 | N275 V276 F283 | N275-R279 WeakPolarHBondContact O-CB 3.41Å; N275-R279 PolarHBondContact O-N 2.96Å; V276-R279 PolarHBondContact O-N 2.81Å; R279-F283 WeakPolarHBondContact O-CB 3.45Å; R279-F283 PolarHBondContact O-N 3.34Å |
| 280 | S | 77.7 | Confident | 81.1 | Confident | 56 Ų | 56 | 101.1 Ų | 101.1 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 179.6 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | V276 I277 F283 L284 | V276-S280 PolarHBondContact O-N 3.45Å; V276-S280 PolarHBondContact O-OG 2.9Å; I277-S280 PolarHBondContact O-N 3.43Å; I277-S280 PolarHBondContact O-OG 2.74Å; S280-F283 PolarHBondContact O-N 3Å; S280-L284 WeakPolarHBondContact O-CG 3.33Å; S280-L284 PolarHBondContact O-N 2.98Å |
| 281 | T | 83.5 | Confident | 81.8 | Confident | 73 Ų | 73 | 101.8 Ų | 101.8 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 176.3 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | I277 I278 F283 L284 R285 | I277-T281 HydrophobicContact CG2-CG2 4.37Å; I277-T281 WeakPolarHBondContact O-CB 3.37Å; I277-T281 VanDerWaalsContact O-CG2 3.29Å; I277-T281 WeakPolarHBondContact O-CG2 3.47Å; I277-T281 PolarHBondContact O-N 3.46Å; I277-T281 PolarHBondContact O-OG1 3Å; I278-T281 WeakPolarHBondContact CA-OG1 3.47Å; I278-T281 PolarHBondContact O-OG1 3.47Å; T281-F283 VanDerWaalsContact C-N 3.35Å; T281-L284 PolarHBondContact O-N 3.43Å; T281-R285 WeakPolarHBondContact O-CB 3.29Å; T281-R285 PolarHBondContact O-N 3.44Å |
| 282 | L | 81.6 | Confident | 82.5 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 172.4 | -77.8 | 172.4 | 0 | 0 | 0 | 112.4 | I278 R285 K286 | I278-L282 HydrophobicContact CG2-CD1 3.81Å; I278-L282 HydrophobicContact CG2-CG 4.34Å; I278-L282 VanDerWaalsContact O-CB 3.3Å; I278-L282 WeakPolarHBondContact O-CB 3.47Å; I278-L282 VanDerWaalsContact O-CG 3.3Å; I278-L282 WeakPolarHBondContact O-CG 3.41Å; I278-L282 PolarHBondContact O-N 3Å; L282-R285 PolarHBondContact O-N 3.49Å; L282-K286 WeakPolarHBondContact O-CG 3.45Å; L282-K286 PolarHBondContact O-N 2.97Å |
| 283 | F | 86 | Confident | 83.1 | Confident | 140 Ų | 140 | 105 Ų | 105 | 61% | 0.614 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -47.6 | 175.2 | -176.6 | -97.1 | 0 | 0 | 0 | 111.3 | R279 S280 T281 R285 K286 V287 | R279-F283 WeakPolarHBondContact O-CB 3.45Å; R279-F283 PolarHBondContact O-N 3.34Å; S280-F283 PolarHBondContact O-N 3Å; T281-F283 VanDerWaalsContact C-N 3.35Å; F283-R285 VanDerWaalsContact C-N 3.29Å; F283-R285 PolarHBondContact O-N 2.93Å; F283-K286 PolarHBondContact O-N 3.48Å; F283-K286 VanDerWaalsContact O-N 3.16Å; F283-V287 HydrophobicContact CD1-CG2 4.19Å; F283-V287 HydrophobicContact CE1-CG2 3.83Å; F283-V287 HydrophobicContact CZ-CG2 4.1Å; F283-V287 WeakPolarHBondContact O-CG2 3.35Å; F283-V287 PolarHBondContact O-N 2.92Å |
| 284 | L | 84.3 | Confident | 83.6 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.7 | -41.8 | 174.7 | -72.8 | 171.8 | 0 | 0 | 0 | 111.8 | S280 T281 K286 V287 Q288 | S280-L284 WeakPolarHBondContact O-CG 3.33Å; S280-L284 PolarHBondContact O-N 2.98Å; T281-L284 PolarHBondContact O-N 3.43Å; L284-K286 PolarHBondContact O-N 2.88Å; L284-V287 PolarHBondContact O-N 2.94Å; L284-Q288 WeakPolarHBondContact O-CB 3.43Å; L284-Q288 PolarHBondContact O-N 3.12Å |
| 285 | R | 85.9 | Confident | 84.1 | Confident | 175 Ų | 175 | 106.1 Ų | 106.1 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 176.3 | -168.6 | 173.7 | -173.2 | 167.1 | 2.1 | 112.8 | T281 L282 F283 Q288 N289 | T281-R285 WeakPolarHBondContact O-CB 3.29Å; T281-R285 PolarHBondContact O-N 3.44Å; L282-R285 PolarHBondContact O-N 3.49Å; F283-R285 VanDerWaalsContact C-N 3.29Å; F283-R285 PolarHBondContact O-N 2.93Å; R285-Q288 PolarHBondContact O-N 2.99Å; R285-N289 PolarHBondContact O-N 3.45Å; R285-N289 PolarHBondContact O-OD1 2.95Å |
| 286 | K | 86 | Confident | 84.6 | Confident | 155 Ų | 155 | 109.8 Ų | 109.8 | 67% | 0.674 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 174.8 | -74.9 | -179.1 | 179.2 | -176 | 0 | 111.9 | L282 F283 L284 Q288 N289 A290 | L282-K286 WeakPolarHBondContact O-CG 3.45Å; L282-K286 PolarHBondContact O-N 2.97Å; F283-K286 PolarHBondContact O-N 3.48Å; F283-K286 VanDerWaalsContact O-N 3.16Å; L284-K286 PolarHBondContact O-N 2.88Å; K286-Q288 VanDerWaalsContact C-N 3.3Å; K286-Q288 PolarHBondContact O-N 3.46Å; K286-N289 PolarHBondContact O-N 3.27Å; K286-A290 WeakPolarHBondContact O-CB 3.38Å; K286-A290 PolarHBondContact O-N 3.31Å |
| 287 | V | 84.3 | Confident | 84.9 | Confident | 77 Ų | 77 | 109.8 Ų | 109.8 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | F283 L284 A290 K291 | F283-V287 HydrophobicContact CD1-CG2 4.19Å; F283-V287 HydrophobicContact CE1-CG2 3.83Å; F283-V287 HydrophobicContact CZ-CG2 4.1Å; F283-V287 WeakPolarHBondContact O-CG2 3.35Å; F283-V287 PolarHBondContact O-N 2.92Å; L284-V287 PolarHBondContact O-N 2.94Å; V287-A290 PolarHBondContact O-N 3.49Å; V287-K291 PolarHBondContact O-N 3.14Å |
| 288 | Q | 85.5 | Confident | 85 | Confident | 119 Ų | 119 | 112.8 Ų | 112.8 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.8 | -44.5 | 179 | -167.9 | 153.3 | -19.1 | 0 | 0 | 112.5 | L284 R285 K286 A290 K291 E292 | L284-Q288 WeakPolarHBondContact O-CB 3.43Å; L284-Q288 PolarHBondContact O-N 3.12Å; R285-Q288 PolarHBondContact O-N 2.99Å; K286-Q288 VanDerWaalsContact C-N 3.3Å; K286-Q288 PolarHBondContact O-N 3.46Å; Q288-A290 VanDerWaalsContact C-N 3.34Å; Q288-A290 PolarHBondContact O-N 3.13Å; Q288-K291 WeakPolarHBondContact O-CB 3.42Å; Q288-K291 PolarHBondContact O-N 3.3Å; Q288-K291 VanDerWaalsContact O-N 3.15Å; Q288-E292 PolarHBondContact O-N 3.18Å |
| 289 | N | 87.1 | Confident | 85.2 | Confident | 84 Ų | 84 | 114.6 Ų | 114.6 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 173.9 | -73.1 | 4.5 | 0 | 0 | 0 | 112.1 | R285 K286 K291 E292 E293 | R285-N289 PolarHBondContact O-N 3.45Å; R285-N289 PolarHBondContact O-OD1 2.95Å; K286-N289 PolarHBondContact O-N 3.27Å; N289-K291 VanDerWaalsContact C-N 3.27Å; N289-K291 PolarHBondContact O-N 3.01Å; N289-E292 PolarHBondContact O-N 3.43Å; N289-E293 WeakPolarHBondContact O-CB 3.49Å; N289-E293 PolarHBondContact O-N 3.46Å |
| 290 | A | 86.1 | Confident | 85.4 | Confident | 48 Ų | 48 | 110.3 Ų | 110.3 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | K286 V287 Q288 E293 I294 | K286-A290 WeakPolarHBondContact O-CB 3.38Å; K286-A290 PolarHBondContact O-N 3.31Å; V287-A290 PolarHBondContact O-N 3.49Å; Q288-A290 VanDerWaalsContact C-N 3.34Å; Q288-A290 PolarHBondContact O-N 3.13Å; A290-E293 PolarHBondContact O-N 3.03Å; A290-I294 VanDerWaalsContact O-CG1 3.28Å; A290-I294 WeakPolarHBondContact O-CG1 3.15Å; A290-I294 PolarHBondContact O-N 2.93Å |
| 291 | K | 86.6 | Confident | 85.5 | Confident | 138 Ų | 138 | 113 Ų | 113 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.9 | -46.3 | 174.8 | -169.9 | 179.9 | 177 | -175 | 0 | 111.6 | V287 Q288 N289 E293 I294 D295 | V287-K291 PolarHBondContact O-N 3.14Å; Q288-K291 WeakPolarHBondContact O-CB 3.42Å; Q288-K291 PolarHBondContact O-N 3.3Å; Q288-K291 VanDerWaalsContact O-N 3.15Å; N289-K291 VanDerWaalsContact C-N 3.27Å; N289-K291 PolarHBondContact O-N 3.01Å; K291-E293 VanDerWaalsContact C-N 3.27Å; K291-E293 PolarHBondContact O-N 3.49Å; K291-I294 PolarHBondContact O-N 3.36Å; K291-D295 PolarHBondContact O-N 3.06Å |
| 292 | E | 88.9 | Confident | 85.2 | Confident | 89 Ų | 89 | 114.8 Ų | 114.8 | 42% | 0.416 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 175.5 | -70.5 | 174.5 | -167 | 0 | 0 | 112 | Q288 N289 D295 R296 | Q288-E292 PolarHBondContact O-N 3.18Å; N289-E292 PolarHBondContact O-N 3.43Å; E292-D295 PolarHBondContact O-N 3.31Å; E292-R296 WeakPolarHBondContact O-CG 3.34Å; E292-R296 PolarHBondContact O-N 2.83Å |
| 293 | E | 88.5 | Confident | 85.1 | Confident | 129 Ų | 129 | 116 Ų | 116 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.5 | -39.6 | 177 | -166 | 163.5 | -165.2 | 0 | 0 | 112.5 | N289 A290 K291 D295 R296 L297 | N289-E293 WeakPolarHBondContact O-CB 3.49Å; N289-E293 PolarHBondContact O-N 3.46Å; A290-E293 PolarHBondContact O-N 3.03Å; K291-E293 VanDerWaalsContact C-N 3.27Å; K291-E293 PolarHBondContact O-N 3.49Å; E293-D295 VanDerWaalsContact C-N 3.34Å; E293-R296 PolarHBondContact O-N 3.44Å; E293-L297 WeakPolarHBondContact O-CB 3.48Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 2.9Å |
| 294 | I | 85.4 | Confident | 84.6 | Confident | 89 Ų | 89 | 117 Ų | 117 | 46% | 0.456 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -42.7 | 171.6 | -71.9 | 166.9 | 0 | 0 | 0 | 111 | A290 K291 L297 R298 | A290-I294 VanDerWaalsContact O-CG1 3.28Å; A290-I294 WeakPolarHBondContact O-CG1 3.15Å; A290-I294 PolarHBondContact O-N 2.93Å; K291-I294 PolarHBondContact O-N 3.36Å; I294-L297 PolarHBondContact O-N 2.86Å; I294-R298 HydrophobicContact CG2-CG 4.49Å; I294-R298 VanDerWaalsContact O-CG 3.31Å; I294-R298 WeakPolarHBondContact O-CG 3.48Å; I294-R298 PolarHBondContact O-N 3.18Å |
| 295 | D | 87.5 | Confident | 83.9 | Confident | 77 Ų | 77 | 115 Ų | 115 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 179.8 | -71 | -24.9 | 0 | 0 | 0 | 111.2 | K291 E292 E293 R298 E299 | K291-D295 PolarHBondContact O-N 3.06Å; E292-D295 PolarHBondContact O-N 3.31Å; E293-D295 VanDerWaalsContact C-N 3.34Å; D295-R298 WeakPolarHBondContact O-CB 3.45Å; D295-R298 PolarHBondContact O-N 2.97Å; D295-E299 PolarHBondContact O-N 3.23Å |
| 296 | R | 88 | Confident | 83.2 | Confident | 163 Ų | 163 | 109.1 Ų | 109.1 | 62% | 0.615 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 172.4 | -73 | 177.9 | -169.4 | 179 | 6.2 | 112.9 | E292 E293 R298 E299 Q300 | E292-R296 WeakPolarHBondContact O-CG 3.34Å; E292-R296 PolarHBondContact O-N 2.83Å; E293-R296 PolarHBondContact O-N 3.44Å; R296-R298 VanDerWaalsContact C-N 3.3Å; R296-R298 PolarHBondContact O-N 2.9Å; R296-E299 PolarHBondContact O-N 2.92Å; R296-Q300 WeakPolarHBondContact O-CG 3.26Å; R296-Q300 PolarHBondContact O-N 3.39Å |
| 297 | L | 86.6 | Confident | 82.4 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 177.7 | -73.3 | 172.4 | 0 | 0 | 0 | 111.7 | E293 I294 L301 | E293-L297 WeakPolarHBondContact O-CB 3.48Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 2.9Å; I294-L297 PolarHBondContact O-N 2.86Å; L297-L301 WeakPolarHBondContact O-CB 3.45Å; L297-L301 PolarHBondContact O-N 3.11Å |
| 298 | R | 83.6 | Confident | 81.5 | Confident | 158 Ų | 158 | 105.7 Ų | 105.7 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 173.3 | -75.7 | 172.7 | 173.2 | -169.2 | -3.4 | 112.2 | I294 D295 R296 L301 N302 | I294-R298 HydrophobicContact CG2-CG 4.49Å; I294-R298 VanDerWaalsContact O-CG 3.31Å; I294-R298 WeakPolarHBondContact O-CG 3.48Å; I294-R298 PolarHBondContact O-N 3.18Å; D295-R298 WeakPolarHBondContact O-CB 3.45Å; D295-R298 PolarHBondContact O-N 2.97Å; R296-R298 VanDerWaalsContact C-N 3.3Å; R296-R298 PolarHBondContact O-N 2.9Å; R298-L301 PolarHBondContact O-N 3.28Å; R298-N302 WeakPolarHBondContact O-CB 3.33Å; R298-N302 PolarHBondContact O-N 3.32Å |
| 299 | E | 85.6 | Confident | 80.7 | Confident | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 176.5 | -165.5 | 165 | -150.6 | 0 | 0 | 111.3 | D295 R296 L301 N302 E303 | D295-E299 PolarHBondContact O-N 3.23Å; R296-E299 PolarHBondContact O-N 2.92Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.5Å; E299-N302 PolarHBondContact O-N 2.94Å; E299-N302 VanDerWaalsContact O-N 3.15Å; E299-E303 PolarHBondContact O-N 3.31Å |
| 300 | Q | 85.2 | Confident | 79.9 | Confident | 114 Ų | 114 | 106.3 Ų | 106.3 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -35.3 | 173.4 | -72.5 | -178.1 | -6.1 | 0 | 0 | 113.2 | R296 K304 | R296-Q300 WeakPolarHBondContact O-CG 3.26Å; R296-Q300 PolarHBondContact O-N 3.39Å; Q300-K304 WeakPolarHBondContact O-CB 3.3Å; Q300-K304 WeakPolarHBondContact O-CG 3.19Å; Q300-K304 PolarHBondContact O-N 3.14Å; Q300-K304 VanDerWaalsContact O-N 3.1Å |
| 301 | L | 79.8 | Confident | 79.1 | Confident | 112 Ų | 112 | 106.6 Ų | 106.6 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -43.9 | 175.2 | -167.5 | 74.7 | 0 | 0 | 0 | 110.6 | L297 R298 E299 K304 T305 | L297-L301 WeakPolarHBondContact O-CB 3.45Å; L297-L301 PolarHBondContact O-N 3.11Å; R298-L301 PolarHBondContact O-N 3.28Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.5Å; L301-K304 PolarHBondContact O-N 2.93Å; L301-T305 WeakPolarHBondContact O-CG2 3.46Å; L301-T305 PolarHBondContact O-N 3.22Å; L301-T305 PolarHBondContact O-OG1 3.5Å; L301-T305 VanDerWaalsContact O-OG1 3.05Å |
| 302 | N | 77.6 | Confident | 78.2 | Confident | 110 Ų | 110 | 104.2 Ų | 104.2 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 178.4 | -76.3 | -9.3 | 0 | 0 | 0 | 112.2 | R298 E299 T305 A306 | R298-N302 WeakPolarHBondContact O-CB 3.33Å; R298-N302 PolarHBondContact O-N 3.32Å; E299-N302 PolarHBondContact O-N 2.94Å; E299-N302 VanDerWaalsContact O-N 3.15Å; N302-T305 VanDerWaalsContact CA-OG1 3.28Å; N302-T305 WeakPolarHBondContact CA-OG1 3.41Å; N302-T305 PolarHBondContact O-N 2.97Å; N302-T305 PolarHBondContact O-OG1 3.37Å; N302-A306 WeakPolarHBondContact O-CB 3.35Å; N302-A306 PolarHBondContact O-N 3.16Å |
| 303 | E | 78 | Confident | 77.4 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -46.6 | 174.7 | -74 | 178.8 | 167.5 | 0 | 0 | 111.4 | E299 T305 A306 D307 | E299-E303 PolarHBondContact O-N 3.31Å; E303-T305 VanDerWaalsContact C-N 3.34Å; E303-T305 PolarHBondContact O-N 3.04Å; E303-A306 PolarHBondContact O-N 3.17Å; E303-D307 PolarHBondContact O-N 2.93Å |
| 304 | K | 75.5 | Confident | 76.7 | Confident | 160 Ų | 160 | 102.3 Ų | 102.3 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -33.2 | 177.9 | -76.2 | -167.8 | 175.9 | -171.6 | 0 | 113.5 | Q300 L301 A308 | Q300-K304 WeakPolarHBondContact O-CB 3.3Å; Q300-K304 WeakPolarHBondContact O-CG 3.19Å; Q300-K304 PolarHBondContact O-N 3.14Å; Q300-K304 VanDerWaalsContact O-N 3.1Å; L301-K304 PolarHBondContact O-N 2.93Å; K304-A308 VanDerWaalsContact O-CB 3.29Å; K304-A308 WeakPolarHBondContact O-CB 3.31Å; K304-A308 PolarHBondContact O-N 2.7Å |
| 305 | T | 71.3 | Confident | 76.1 | Confident | 71 Ų | 71 | 105.3 Ų | 105.3 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.7 | -35.2 | 173.7 | 49 | 0 | 0 | 0 | 0 | 111.9 | L301 N302 E303 A308 D309 | L301-T305 WeakPolarHBondContact O-CG2 3.46Å; L301-T305 PolarHBondContact O-N 3.22Å; L301-T305 PolarHBondContact O-OG1 3.5Å; L301-T305 VanDerWaalsContact O-OG1 3.05Å; N302-T305 VanDerWaalsContact CA-OG1 3.28Å; N302-T305 WeakPolarHBondContact CA-OG1 3.41Å; N302-T305 PolarHBondContact O-N 2.97Å; N302-T305 PolarHBondContact O-OG1 3.37Å; E303-T305 VanDerWaalsContact C-N 3.34Å; E303-T305 PolarHBondContact O-N 3.04Å; T305-A308 PolarHBondContact O-N 3.23Å; T305-D309 PolarHBondContact O-N 2.89Å |
| 306 | A | 70.6 | Confident | 75.5 | Confident | 51 Ų | 51 | 110.7 Ų | 110.7 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N302 E303 A308 D309 D310 | N302-A306 WeakPolarHBondContact O-CB 3.35Å; N302-A306 PolarHBondContact O-N 3.16Å; E303-A306 PolarHBondContact O-N 3.17Å; A306-A308 VanDerWaalsContact C-N 3.31Å; A306-A308 PolarHBondContact O-N 2.88Å; A306-D309 PolarHBondContact O-N 3.02Å; A306-D310 PolarHBondContact O-N 3.28Å |
| 307 | D | 68.3 | Low | 74.9 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.7 | -37.7 | 175 | -83.3 | -8.6 | 0 | 0 | 0 | 112.3 | E303 S311 | E303-D307 PolarHBondContact O-N 2.93Å; D307-S311 WeakPolarHBondContact O-CB 3.28Å; D307-S311 PolarHBondContact O-N 3.4Å; D307-S311 PolarHBondContact O-OG 3.35Å |
| 308 | A | 65.1 | Low | 74.4 | Confident | 44 Ų | 44 | 109.5 Ų | 109.5 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | K304 T305 A306 S311 L312 | K304-A308 VanDerWaalsContact O-CB 3.29Å; K304-A308 WeakPolarHBondContact O-CB 3.31Å; K304-A308 PolarHBondContact O-N 2.7Å; T305-A308 PolarHBondContact O-N 3.23Å; A306-A308 VanDerWaalsContact C-N 3.31Å; A306-A308 PolarHBondContact O-N 2.88Å; A308-S311 PolarHBondContact O-N 3.47Å; A308-S311 PolarHBondContact O-OG 3.41Å; A308-L312 WeakPolarHBondContact O-CB 3.16Å; A308-L312 PolarHBondContact O-N 3.14Å |
| 309 | D | 68.7 | Low | 74.1 | Confident | 105 Ų | 105 | 106.6 Ų | 106.6 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.7 | -38.1 | 177 | -85.5 | -14.5 | 0 | 0 | 0 | 112.1 | T305 A306 L312 T313 | T305-D309 PolarHBondContact O-N 2.89Å; A306-D309 PolarHBondContact O-N 3.02Å; D309-L312 PolarHBondContact O-N 2.91Å; D309-T313 WeakPolarHBondContact O-CG2 3.5Å; D309-T313 PolarHBondContact O-N 3.33Å; D309-T313 PolarHBondContact O-OG1 2.85Å |
| 310 | D | 70.6 | Confident | 73.5 | Confident | 111 Ų | 111 | 103.7 Ų | 103.7 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 174.3 | -81.4 | -4.3 | 0 | 0 | 0 | 111.8 | A306 T313 L314 | A306-D310 PolarHBondContact O-N 3.28Å; D310-T313 WeakPolarHBondContact CA-OG1 3.22Å; D310-T313 PolarHBondContact O-OG1 3.29Å; D310-L314 PolarHBondContact O-N 3.05Å; D310-L314 VanDerWaalsContact O-N 3.11Å |
| 311 | S | 69.1 | Low | 73.2 | Confident | 54 Ų | 54 | 101.8 Ų | 101.8 | 38% | 0.378 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 174.7 | 74.9 | 0 | 0 | 0 | 0 | 112.4 | D307 A308 L314 Y315 | D307-S311 WeakPolarHBondContact O-CB 3.28Å; D307-S311 PolarHBondContact O-N 3.4Å; D307-S311 PolarHBondContact O-OG 3.35Å; A308-S311 PolarHBondContact O-N 3.47Å; A308-S311 PolarHBondContact O-OG 3.41Å; S311-L314 PolarHBondContact O-N 3.21Å; S311-Y315 WeakPolarHBondContact O-CD2 3.24Å; S311-Y315 PolarHBondContact O-N 3.29Å |
| 312 | L | 68.2 | Low | 73 | Confident | 87 Ų | 87 | 104.1 Ų | 104.1 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 178.2 | -92.3 | 157.7 | 0 | 0 | 0 | 112.3 | A308 D309 R316 | A308-L312 WeakPolarHBondContact O-CB 3.16Å; A308-L312 PolarHBondContact O-N 3.14Å; D309-L312 PolarHBondContact O-N 2.91Å; L312-R316 WeakPolarHBondContact O-CB 3.34Å; L312-R316 VanDerWaalsContact O-CG 3.26Å; L312-R316 WeakPolarHBondContact O-CG 3.4Å; L312-R316 PolarHBondContact O-N 3.29Å |
| 313 | T | 72.2 | Confident | 73 | Confident | 81 Ų | 81 | 105.2 Ų | 105.2 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 174.4 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | D309 D310 R316 Q317 | D309-T313 WeakPolarHBondContact O-CG2 3.5Å; D309-T313 PolarHBondContact O-N 3.33Å; D309-T313 PolarHBondContact O-OG1 2.85Å; D310-T313 WeakPolarHBondContact CA-OG1 3.22Å; D310-T313 PolarHBondContact O-OG1 3.29Å; T313-R316 PolarHBondContact O-N 2.99Å; T313-Q317 WeakPolarHBondContact O-CB 3.48Å; T313-Q317 PolarHBondContact O-N 3.43Å |
| 314 | L | 73.2 | Confident | 73 | Confident | 98 Ų | 98 | 103.8 Ų | 103.8 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.2 | -154.3 | 110.4 | 0 | 0 | 0 | 112.1 | D310 S311 Q317 Q318 | D310-L314 PolarHBondContact O-N 3.05Å; D310-L314 VanDerWaalsContact O-N 3.11Å; S311-L314 PolarHBondContact O-N 3.21Å; L314-Q317 PolarHBondContact O-N 2.84Å; L314-Q318 WeakPolarHBondContact O-CG 3.45Å; L314-Q318 PolarHBondContact O-N 3.29Å |
| 315 | Y | 74.4 | Confident | 73.1 | Confident | 152 Ų | 152 | 100.9 Ų | 100.9 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -41.1 | 175.9 | -82 | -65.2 | 0 | 0 | 0 | 112.4 | S311 Q317 Q318 V319 | S311-Y315 WeakPolarHBondContact O-CD2 3.24Å; S311-Y315 PolarHBondContact O-N 3.29Å; Y315-Q317 VanDerWaalsContact C-N 3.3Å; Y315-Q317 PolarHBondContact O-N 2.98Å; Y315-Q318 PolarHBondContact O-N 3.45Å; Y315-V319 VanDerWaalsContact O-CG2 3.29Å; Y315-V319 WeakPolarHBondContact O-CG2 3.37Å; Y315-V319 PolarHBondContact O-N 3.36Å |
| 316 | R | 74.1 | Confident | 73.3 | Confident | 189 Ų | 189 | 104.7 Ų | 104.7 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.1 | -39.9 | 175.1 | -75.7 | 175.1 | -177.8 | -130 | 3.7 | 111.8 | L312 T313 S320 | L312-R316 WeakPolarHBondContact O-CB 3.34Å; L312-R316 VanDerWaalsContact O-CG 3.26Å; L312-R316 WeakPolarHBondContact O-CG 3.4Å; L312-R316 PolarHBondContact O-N 3.29Å; T313-R316 PolarHBondContact O-N 2.99Å; R316-S320 WeakPolarHBondContact O-CB 3.41Å; R316-S320 PolarHBondContact O-N 3.26Å |
| 317 | Q | 76.3 | Confident | 73.3 | Confident | 137 Ų | 137 | 106.2 Ų | 106.2 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69 | -40.8 | 177.9 | -162.9 | 174.2 | 7.2 | 0 | 0 | 112.1 | T313 L314 Y315 S320 T321 | T313-Q317 WeakPolarHBondContact O-CB 3.48Å; T313-Q317 PolarHBondContact O-N 3.43Å; L314-Q317 PolarHBondContact O-N 2.84Å; Y315-Q317 VanDerWaalsContact C-N 3.3Å; Y315-Q317 PolarHBondContact O-N 2.98Å; Q317-S320 PolarHBondContact O-N 2.88Å; Q317-T321 WeakPolarHBondContact O-CB 3.31Å; Q317-T321 PolarHBondContact O-N 2.65Å; Q317-T321 PolarHBondContact O-OG1 3.31Å |
| 318 | Q | 76.2 | Confident | 73.6 | Confident | 103 Ų | 103 | 105.4 Ų | 105.4 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 174 | -75.5 | -179 | -14.2 | 0 | 0 | 112.1 | L314 Y315 T321 F322 | L314-Q318 WeakPolarHBondContact O-CG 3.45Å; L314-Q318 PolarHBondContact O-N 3.29Å; Y315-Q318 PolarHBondContact O-N 3.45Å; Q318-T321 PolarHBondContact O-N 3.41Å; Q318-F322 PolarHBondContact O-N 3.01Å |
| 319 | V | 75.7 | Confident | 74 | Confident | 97 Ų | 97 | 108.8 Ų | 108.8 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 177.9 | 173 | 0 | 0 | 0 | 0 | 111.1 | Y315 T321 F322 F323 | Y315-V319 VanDerWaalsContact O-CG2 3.29Å; Y315-V319 WeakPolarHBondContact O-CG2 3.37Å; Y315-V319 PolarHBondContact O-N 3.36Å; V319-T321 VanDerWaalsContact C-N 3.32Å; V319-T321 PolarHBondContact O-N 3.49Å; V319-F322 PolarHBondContact O-N 3.04Å; V319-F323 VanDerWaalsContact O-CB 3.31Å; V319-F323 WeakPolarHBondContact O-CB 3.21Å; V319-F323 PolarHBondContact O-N 3.34Å |
| 320 | S | 73.7 | Confident | 74 | Confident | 64 Ų | 64 | 106.3 Ų | 106.3 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | R316 Q317 F323 I324 | R316-S320 WeakPolarHBondContact O-CB 3.41Å; R316-S320 PolarHBondContact O-N 3.26Å; Q317-S320 PolarHBondContact O-N 2.88Å; S320-F323 PolarHBondContact O-N 3.36Å; S320-I324 WeakPolarHBondContact O-CB 3.48Å; S320-I324 WeakPolarHBondContact O-CD1 3.5Å; S320-I324 WeakPolarHBondContact O-CG1 3.38Å; S320-I324 PolarHBondContact O-N 3.46Å |
| 321 | T | 78.8 | Confident | 74 | Confident | 73 Ų | 73 | 107.3 Ų | 107.3 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 178.7 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | Q317 Q318 V319 I324 N325 | Q317-T321 WeakPolarHBondContact O-CB 3.31Å; Q317-T321 PolarHBondContact O-N 2.65Å; Q317-T321 PolarHBondContact O-OG1 3.31Å; Q318-T321 PolarHBondContact O-N 3.41Å; V319-T321 VanDerWaalsContact C-N 3.32Å; V319-T321 PolarHBondContact O-N 3.49Å; T321-I324 PolarHBondContact O-N 3.27Å; T321-N325 WeakPolarHBondContact O-CB 3.31Å; T321-N325 PolarHBondContact O-N 2.98Å; T321-N325 PolarHBondContact O-ND2 3.48Å |
| 322 | F | 76.2 | Confident | 73.9 | Confident | 162 Ų | 162 | 109.2 Ų | 109.2 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 175.9 | -118.2 | -84.7 | 0 | 0 | 0 | 112 | Q318 V319 N325 Y326 | Q318-F322 PolarHBondContact O-N 3.01Å; V319-F322 PolarHBondContact O-N 3.04Å; F322-N325 PolarHBondContact O-N 2.91Å; F322-Y326 VanDerWaalsContact O-CB 3.29Å; F322-Y326 WeakPolarHBondContact O-CB 3.43Å; F322-Y326 PolarHBondContact O-N 3.5Å |
| 323 | F | 76.9 | Confident | 73.2 | Confident | 133 Ų | 133 | 108.4 Ų | 108.4 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 179.8 | -158.8 | -96.1 | 0 | 0 | 0 | 111.4 | V319 S320 Y326 L327 | V319-F323 VanDerWaalsContact O-CB 3.31Å; V319-F323 WeakPolarHBondContact O-CB 3.21Å; V319-F323 PolarHBondContact O-N 3.34Å; S320-F323 PolarHBondContact O-N 3.36Å; F323-Y326 PolarHBondContact O-N 3.08Å; F323-L327 HydrophobicContact CD1-CD1 3.9Å; F323-L327 HydrophobicContact CE1-CD1 3.45Å; F323-L327 VanDerWaalsContact CE1-CD1 3.45Å; F323-L327 HydrophobicContact CZ-CD1 4.12Å; F323-L327 WeakPolarHBondContact O-CB 3.46Å; F323-L327 PolarHBondContact O-N 3.2Å |
| 324 | I | 78.2 | Confident | 72.4 | Confident | 91 Ų | 91 | 110.1 Ų | 110.1 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -45.9 | 174.9 | -69.2 | 165.7 | 0 | 0 | 0 | 110.8 | S320 T321 Y326 L327 L328 | S320-I324 WeakPolarHBondContact O-CB 3.48Å; S320-I324 WeakPolarHBondContact O-CD1 3.5Å; S320-I324 WeakPolarHBondContact O-CG1 3.38Å; S320-I324 PolarHBondContact O-N 3.46Å; T321-I324 PolarHBondContact O-N 3.27Å; I324-Y326 PolarHBondContact O-N 2.97Å; I324-L327 PolarHBondContact O-N 3.49Å; I324-L328 HydrophobicContact CG2-CD1 3.99Å; I324-L328 WeakPolarHBondContact O-CB 3.41Å; I324-L328 WeakPolarHBondContact O-CG 3.19Å; I324-L328 PolarHBondContact O-N 3.46Å |
| 325 | N | 76.8 | Confident | 71.6 | Confident | 98 Ų | 98 | 116.1 Ų | 116.1 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -38.7 | 177.9 | -77.7 | -21.9 | 0 | 0 | 0 | 112.4 | T321 F322 L328 F329 | T321-N325 WeakPolarHBondContact O-CB 3.31Å; T321-N325 PolarHBondContact O-N 2.98Å; T321-N325 PolarHBondContact O-ND2 3.48Å; F322-N325 PolarHBondContact O-N 2.91Å; N325-L328 PolarHBondContact O-N 3.44Å; N325-F329 WeakPolarHBondContact O-CB 3.26Å; N325-F329 PolarHBondContact O-N 3.03Å |
| 326 | Y | 75.5 | Confident | 70.6 | Confident | 152 Ų | 152 | 117.1 Ų | 117.1 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.9 | -43.4 | 175.3 | -174 | -98.9 | 0 | 0 | 0 | 111.5 | F322 F323 I324 L328 F329 V330 | F322-Y326 VanDerWaalsContact O-CB 3.29Å; F322-Y326 WeakPolarHBondContact O-CB 3.43Å; F322-Y326 PolarHBondContact O-N 3.5Å; F323-Y326 PolarHBondContact O-N 3.08Å; I324-Y326 PolarHBondContact O-N 2.97Å; Y326-L328 PolarHBondContact O-N 3.21Å; Y326-F329 PolarHBondContact O-N 3.3Å; Y326-V330 HydrophobicContact CD1-CG2 4.13Å; Y326-V330 HydrophobicContact CE1-CG2 3.77Å; Y326-V330 HydrophobicContact CE2-CG2 4.38Å; Y326-V330 VanDerWaalsContact O-CG2 3.31Å; Y326-V330 WeakPolarHBondContact O-CG2 3.48Å; Y326-V330 PolarHBondContact O-N 3.09Å |
| 327 | L | 72 | Confident | 69.6 | Low | 83 Ų | 83 | 115.9 Ų | 115.9 | 44% | 0.435 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.9 | -42.4 | 176.3 | -129.4 | 110.4 | 0 | 0 | 0 | 111.6 | F323 I324 V330 L331 | F323-L327 HydrophobicContact CD1-CD1 3.9Å; F323-L327 HydrophobicContact CE1-CD1 3.45Å; F323-L327 VanDerWaalsContact CE1-CD1 3.45Å; F323-L327 HydrophobicContact CZ-CD1 4.12Å; F323-L327 WeakPolarHBondContact O-CB 3.46Å; F323-L327 PolarHBondContact O-N 3.2Å; I324-L327 PolarHBondContact O-N 3.49Å; L327-V330 PolarHBondContact O-N 3.02Å; L327-L331 HydrophobicContact CD2-CD1 4.02Å; L327-L331 WeakPolarHBondContact O-CB 3.42Å; L327-L331 VanDerWaalsContact O-CG 3.22Å; L327-L331 WeakPolarHBondContact O-CG 3.37Å; L327-L331 PolarHBondContact O-N 3.41Å |
| 328 | L | 73.2 | Confident | 68.2 | Low | 99 Ų | 99 | 114.6 Ų | 114.6 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.4 | -41.2 | 175.4 | -74.3 | 170.8 | 0 | 0 | 0 | 111.7 | I324 N325 Y326 L331 S332 | I324-L328 HydrophobicContact CG2-CD1 3.99Å; I324-L328 WeakPolarHBondContact O-CB 3.41Å; I324-L328 WeakPolarHBondContact O-CG 3.19Å; I324-L328 PolarHBondContact O-N 3.46Å; N325-L328 PolarHBondContact O-N 3.44Å; Y326-L328 PolarHBondContact O-N 3.21Å; L328-L331 PolarHBondContact O-N 3.02Å; L328-S332 WeakPolarHBondContact O-CB 2.98Å; L328-S332 PolarHBondContact O-N 3.17Å; L328-S332 PolarHBondContact O-OG 3.29Å |
| 329 | F | 74.7 | Confident | 66.8 | Low | 115 Ų | 115 | 113.3 Ų | 113.3 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.2 | -43 | 176.9 | -179.4 | -98 | 0 | 0 | 0 | 112.7 | N325 Y326 | N325-F329 WeakPolarHBondContact O-CB 3.26Å; N325-F329 PolarHBondContact O-N 3.03Å; Y326-F329 PolarHBondContact O-N 3.3Å |
| 330 | V | 69.3 | Low | 65.4 | Low | 53 Ų | 53 | 113.8 Ų | 113.8 | 32% | 0.321 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.2 | -38.7 | 178.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | Y326 L327 | Y326-V330 HydrophobicContact CD1-CG2 4.13Å; Y326-V330 HydrophobicContact CE1-CG2 3.77Å; Y326-V330 HydrophobicContact CE2-CG2 4.38Å; Y326-V330 VanDerWaalsContact O-CG2 3.31Å; Y326-V330 WeakPolarHBondContact O-CG2 3.48Å; Y326-V330 PolarHBondContact O-N 3.09Å; L327-V330 PolarHBondContact O-N 3.02Å |
| 331 | L | 69.8 | Low | 64 | Low | 132 Ų | 132 | 118.9 Ų | 118.9 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.8 | -27.9 | 178.5 | -70.1 | 173.2 | 0 | 0 | 0 | 113.5 | L327 L328 | L327-L331 HydrophobicContact CD2-CD1 4.02Å; L327-L331 WeakPolarHBondContact O-CB 3.42Å; L327-L331 VanDerWaalsContact O-CG 3.22Å; L327-L331 WeakPolarHBondContact O-CG 3.37Å; L327-L331 PolarHBondContact O-N 3.41Å; L328-L331 PolarHBondContact O-N 3.02Å |
| 332 | S | 67.6 | Low | 62.3 | Low | 95 Ų | 95 | 122.1 Ų | 122.1 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.9 | -8.4 | 177.8 | -80 | 0 | 0 | 0 | 0 | 115.1 | L328 | L328-S332 WeakPolarHBondContact O-CB 2.98Å; L328-S332 PolarHBondContact O-N 3.17Å; L328-S332 PolarHBondContact O-OG 3.29Å |
| 333 | N | 52.3 | Low | 60.7 | Low | 70 Ų | 70 | 120.2 Ų | 120.2 | 37% | 0.374 | 64% | 0.639 | S | S | . | * | trans | -122.5 | 104.4 | -179.9 | -90.5 | -59.4 | 0 | 0 | 0 | 112 | R335 Y336 | N333-R335 PolarHBondContact O-N 3.07Å; N333-Y336 HydrophobicContact CB-CD2 4.5Å | ||
| 334 | P | 55 | Low | 59.2 | Low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 18.2 | -177.6 | 29.2 | -33.4 | 0 | 0 | 0 | 114.4 | ||
| 335 | R | 56.6 | Low | 57.7 | Low | 224 Ų | 224 | 121.1 Ų | 121.1 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -3.6 | -179.8 | -77.5 | -172.8 | 175.5 | 173.3 | -0.3 | 114.8 | N333 | N333-R335 PolarHBondContact O-N 3.07Š|
| 336 | Y | 54.6 | Low | 56.1 | Low | 173 Ų | 173 | 126.2 Ų | 126.2 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -108.7 | 13.7 | -176.8 | -73.9 | -76.4 | 0 | 0 | 0 | 115.1 | N333 | N333-Y336 HydrophobicContact CB-CD2 4.5Š|
| 337 | L | 51.5 | Low | 54.6 | Low | 164 Ų | 164 | 127.5 Ų | 127.5 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -97.1 | 14.6 | 179.7 | -80 | 165.5 | 0 | 0 | 0 | 114.9 | ||
| 338 | S | 48.6 | Very low | 53.7 | Low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -143.7 | 122.8 | 178 | 66 | 0 | 0 | 0 | 0 | 115.1 | ||
| 339 | G | 46.7 | Very low | 52.7 | Low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | 93.1 | 100.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 340 | S | 44.6 | Very low | 51.5 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 85 | 103 | 89 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 341 | Q | 45.8 | Very low | 50.4 | Low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | 43.4 | 120.6 | 106.3 | -64.3 | -165.2 | -17.2 | 0 | 0 | 112.8 | |||||
| 342 | D | 42.3 | Very low | 49.2 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | cis | -164.9 | 166.4 | 46.1 | -134.4 | -29.2 | 0 | 0 | 0 | 113.6 | ||||
| 343 | T | 43.7 | Very low | 48 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -72.2 | 148.2 | -170.8 | 50.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 344 | T | 45 | Very low | 47.7 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 92% | 0.92 | 84% | 0.843 | S | S | * | * | trans | -141.7 | 131.8 | 143 | 35.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 345 | A | 45.8 | Very low | 47.1 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | trans | -88.4 | 150.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 346 | K | 43.8 | Very low | 46.4 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | 176.3 | 143.6 | 118 | -100 | 176.4 | 178.8 | 179.5 | 0 | 111.9 | |||||
| 347 | A | 43.9 | Very low | 45.6 | Very low | 179 Ų | 179 | 138 Ų | 138 | 100% | 1.479 | 87% | 0.865 | S | S | * | * | trans | 82.1 | 0 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 |
Retrieved 347 of 347 residues in 282.8 ms
(Link to these results)