| 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 | 53.5 | Low | 66 | Low | 220 Ų | 220 | 135.5 Ų | 135.5 | 100% | 1.084 | 66% | 0.664 | S | S | * | * | 0 | -28.4 | 0 | -78 | -168.9 | -164 | 0 | 0 | 113.7 | M3 | M1-M3 VanDerWaalsContact C-N 3.34Å; M1-M3 PolarHBondContact O-N 2.63Å | |||
| 2 | E | 55.2 | Low | 66.8 | Low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.7 | -34.1 | 173.6 | -83.1 | -175.7 | 134.4 | 0 | 0 | 114.5 | V4 K5 K6 | E2-V4 PolarHBondContact O-N 3.36Å; E2-K5 PolarHBondContact O-N 3.06Å; E2-K6 PolarHBondContact O-N 3.45Å |
| 3 | M | 57.2 | Low | 67.9 | Low | 164 Ų | 164 | 132.1 Ų | 132.1 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.3 | -33.9 | -174.9 | -140.7 | -171.9 | -69 | 0 | 0 | 113.6 | M1 K7 | M1-M3 VanDerWaalsContact C-N 3.34Å; M1-M3 PolarHBondContact O-N 2.63Å; M3-K7 WeakPolarHBondContact O-CB 3.48Å; M3-K7 PolarHBondContact O-N 3.24Å; M3-K7 VanDerWaalsContact O-N 3.17Å |
| 4 | V | 61.3 | Low | 68.7 | Low | 98 Ų | 98 | 130.9 Ų | 130.9 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.7 | -38.4 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | E2 K7 I8 | E2-V4 PolarHBondContact O-N 3.36Å; V4-K7 PolarHBondContact O-N 3.12Å; V4-I8 HydrophobicContact CG1-CD1 4.1Å; V4-I8 WeakPolarHBondContact O-CG1 3.32Å; V4-I8 PolarHBondContact O-N 3.48Å |
| 5 | K | 62.5 | Low | 69.5 | Low | 160 Ų | 160 | 127.2 Ų | 127.2 | 70% | 0.696 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.3 | -41.6 | 176 | -137.2 | 178.8 | -176.2 | -176.1 | 0 | 111.6 | E2 K7 I8 Q9 | E2-K5 PolarHBondContact O-N 3.06Å; K5-K7 VanDerWaalsContact C-N 3.33Å; K5-K7 PolarHBondContact O-N 3.48Å; K5-I8 PolarHBondContact O-N 2.83Å; K5-Q9 WeakPolarHBondContact O-CB 3.46Å; K5-Q9 PolarHBondContact O-N 3.5Å |
| 6 | K | 68.8 | Low | 70.4 | Confident | 159 Ų | 159 | 124.6 Ų | 124.6 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.4 | -37.3 | 171 | -95.1 | -176.1 | 173.3 | 177.7 | 0 | 113 | E2 A10 | E2-K6 PolarHBondContact O-N 3.45Å; K6-A10 VanDerWaalsContact O-CB 3.29Å; K6-A10 WeakPolarHBondContact O-CB 3.45Å; K6-A10 PolarHBondContact O-N 2.81Å |
| 7 | K | 69.4 | Low | 71.1 | Confident | 152 Ų | 152 | 122.4 Ų | 122.4 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.6 | -35.3 | -179.3 | -160.5 | 162.3 | -176.1 | 175.2 | 0 | 112.8 | M3 V4 K5 A10 L11 | M3-K7 WeakPolarHBondContact O-CB 3.48Å; M3-K7 PolarHBondContact O-N 3.24Å; M3-K7 VanDerWaalsContact O-N 3.17Å; V4-K7 PolarHBondContact O-N 3.12Å; K5-K7 VanDerWaalsContact C-N 3.33Å; K5-K7 PolarHBondContact O-N 3.48Å; K7-A10 PolarHBondContact O-N 2.95Å; K7-L11 WeakPolarHBondContact O-CB 3.38Å; K7-L11 WeakPolarHBondContact O-CG 3.28Å; K7-L11 PolarHBondContact O-N 3.16Å |
| 8 | I | 73.1 | Confident | 71.7 | Confident | 94 Ų | 94 | 118.1 Ų | 118.1 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.8 | -44.5 | 170.8 | -68.9 | 171.7 | 0 | 0 | 0 | 110.4 | V4 K5 A10 L11 Q12 | V4-I8 HydrophobicContact CG1-CD1 4.1Å; V4-I8 WeakPolarHBondContact O-CG1 3.32Å; V4-I8 PolarHBondContact O-N 3.48Å; K5-I8 PolarHBondContact O-N 2.83Å; I8-A10 VanDerWaalsContact C-N 3.34Å; I8-A10 PolarHBondContact O-N 3.44Å; I8-L11 PolarHBondContact O-N 2.86Å; I8-Q12 WeakPolarHBondContact O-CB 3.4Å; I8-Q12 PolarHBondContact O-N 2.81Å |
| 9 | Q | 73.6 | Confident | 72.3 | Confident | 130 Ų | 130 | 117.9 Ų | 117.9 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.5 | -41.4 | 173.2 | -99.6 | 178.1 | -28.8 | 0 | 0 | 112.6 | K5 Q12 Q13 | K5-Q9 WeakPolarHBondContact O-CB 3.46Å; K5-Q9 PolarHBondContact O-N 3.5Å; Q9-Q12 PolarHBondContact O-N 2.99Å; Q9-Q13 VanDerWaalsContact O-CB 3.26Å; Q9-Q13 WeakPolarHBondContact O-CB 3.35Å; Q9-Q13 PolarHBondContact O-N 3.43Å |
| 10 | A | 77.5 | Confident | 72.9 | Confident | 46 Ų | 46 | 117.5 Ų | 117.5 | 38% | 0.38 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.5 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K6 K7 I8 Q14 | K6-A10 VanDerWaalsContact O-CB 3.29Å; K6-A10 WeakPolarHBondContact O-CB 3.45Å; K6-A10 PolarHBondContact O-N 2.81Å; K7-A10 PolarHBondContact O-N 2.95Å; I8-A10 VanDerWaalsContact C-N 3.34Å; I8-A10 PolarHBondContact O-N 3.44Å; A10-Q14 WeakPolarHBondContact O-CB 3.38Å; A10-Q14 VanDerWaalsContact O-CG 3.28Å; A10-Q14 WeakPolarHBondContact O-CG 3.27Å; A10-Q14 PolarHBondContact O-N 2.89Å |
| 11 | L | 74.5 | Confident | 73.5 | Confident | 94 Ų | 94 | 119.1 Ų | 119.1 | 49% | 0.492 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.7 | -39.5 | 174.9 | -77.1 | 167.9 | 0 | 0 | 0 | 112.2 | K7 I8 Q14 V15 | K7-L11 WeakPolarHBondContact O-CB 3.38Å; K7-L11 WeakPolarHBondContact O-CG 3.28Å; K7-L11 PolarHBondContact O-N 3.16Å; I8-L11 PolarHBondContact O-N 2.86Å; L11-Q14 PolarHBondContact O-N 2.83Å; L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.28Å; L11-V15 PolarHBondContact O-N 3.46Å |
| 12 | Q | 75.1 | Confident | 75 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 53% | 0.533 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -46.5 | 172.4 | -99.7 | 165.5 | -40 | 0 | 0 | 111.2 | I8 Q9 Q14 V15 D16 | I8-Q12 WeakPolarHBondContact O-CB 3.4Å; I8-Q12 PolarHBondContact O-N 2.81Å; Q9-Q12 PolarHBondContact O-N 2.99Å; Q12-Q14 VanDerWaalsContact C-N 3.28Å; Q12-Q14 PolarHBondContact O-N 3.38Å; Q12-V15 PolarHBondContact O-N 2.9Å; Q12-V15 VanDerWaalsContact O-N 3.09Å; Q12-D16 WeakPolarHBondContact O-CB 3.4Å; Q12-D16 PolarHBondContact O-N 3.29Å |
| 13 | Q | 80.6 | Confident | 76.5 | Confident | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 174.7 | -171.3 | 178.8 | -10.4 | 0 | 0 | 112 | Q9 E17 | Q9-Q13 VanDerWaalsContact O-CB 3.26Å; Q9-Q13 WeakPolarHBondContact O-CB 3.35Å; Q9-Q13 PolarHBondContact O-N 3.43Å; Q13-E17 HydrophobicContact CG-CG 4.43Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.29Å; Q13-E17 PolarHBondContact NE2-OE1 3.47Å; Q13-E17 WeakPolarHBondContact O-CB 3.47Å; Q13-E17 WeakPolarHBondContact O-CG 3.33Å; Q13-E17 PolarHBondContact O-N 3.35Å |
| 14 | Q | 79.9 | Confident | 77.9 | Confident | 116 Ų | 116 | 102.1 Ų | 102.1 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 173.8 | -82.3 | -178.3 | -11.7 | 0 | 0 | 113.5 | A10 L11 Q12 A18 | A10-Q14 WeakPolarHBondContact O-CB 3.38Å; A10-Q14 VanDerWaalsContact O-CG 3.28Å; A10-Q14 WeakPolarHBondContact O-CG 3.27Å; A10-Q14 PolarHBondContact O-N 2.89Å; L11-Q14 PolarHBondContact O-N 2.83Å; Q12-Q14 VanDerWaalsContact C-N 3.28Å; Q12-Q14 PolarHBondContact O-N 3.38Å; Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 2.86Å |
| 15 | V | 80.9 | Confident | 79.2 | Confident | 75 Ų | 75 | 101.7 Ų | 101.7 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.2 | -48.5 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 109.7 | L11 Q12 E17 A18 E19 | L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.28Å; L11-V15 PolarHBondContact O-N 3.46Å; Q12-V15 PolarHBondContact O-N 2.9Å; Q12-V15 VanDerWaalsContact O-N 3.09Å; V15-E17 VanDerWaalsContact C-N 3.35Å; V15-E17 PolarHBondContact O-N 2.95Å; V15-A18 CarbonylContact O-C 3.54Å; V15-A18 WeakPolarHBondContact O-CA 3.47Å; V15-A18 WeakPolarHBondContact O-CB 3.46Å; V15-A18 PolarHBondContact O-N 2.72Å; V15-E19 HydrophobicContact CG1-CG 4.34Å; V15-E19 WeakPolarHBondContact O-CB 3.42Å; V15-E19 WeakPolarHBondContact O-CG 3.49Å; V15-E19 PolarHBondContact O-N 2.86Å |
| 16 | D | 82.9 | Confident | 80.4 | Confident | 86 Ų | 86 | 98.3 Ų | 98.3 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.8 | -61.6 | -20.7 | 0 | 0 | 0 | 110.7 | Q12 A18 E19 D20 | Q12-D16 WeakPolarHBondContact O-CB 3.4Å; Q12-D16 PolarHBondContact O-N 3.29Å; D16-A18 VanDerWaalsContact C-N 3.3Å; D16-A18 PolarHBondContact O-N 3.25Å; D16-E19 PolarHBondContact O-N 2.83Å; D16-D20 WeakPolarHBondContact O-CB 3.49Å; D16-D20 PolarHBondContact O-N 3.4Å |
| 17 | E | 83.4 | Confident | 81.3 | Confident | 86 Ų | 86 | 99.3 Ų | 99.3 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -29.1 | 174.5 | -76.2 | 172 | -169.3 | 0 | 0 | 112.9 | Q13 V15 R21 | Q13-E17 HydrophobicContact CG-CG 4.43Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.29Å; Q13-E17 PolarHBondContact NE2-OE1 3.47Å; Q13-E17 WeakPolarHBondContact O-CB 3.47Å; Q13-E17 WeakPolarHBondContact O-CG 3.33Å; Q13-E17 PolarHBondContact O-N 3.35Å; V15-E17 VanDerWaalsContact C-N 3.35Å; V15-E17 PolarHBondContact O-N 2.95Å; E17-R21 WeakPolarHBondContact O-CB 3.34Å; E17-R21 VanDerWaalsContact O-CG 3.23Å; E17-R21 WeakPolarHBondContact O-CG 3.5Å; E17-R21 PolarHBondContact O-N 3.24Å; E17-R21 PolarHBondContact O-NE 3.27Å |
| 18 | A | 81.3 | Confident | 82.3 | Confident | 46 Ų | 46 | 98.1 Ų | 98.1 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -77.8 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q14 V15 D16 R21 A22 | Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 2.86Å; V15-A18 CarbonylContact O-C 3.54Å; V15-A18 WeakPolarHBondContact O-CA 3.47Å; V15-A18 WeakPolarHBondContact O-CB 3.46Å; V15-A18 PolarHBondContact O-N 2.72Å; D16-A18 VanDerWaalsContact C-N 3.3Å; D16-A18 PolarHBondContact O-N 3.25Å; A18-R21 PolarHBondContact O-N 2.83Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.23Å |
| 19 | E | 82.5 | Confident | 83.2 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 174.5 | -74.5 | -177.7 | 177.5 | 0 | 0 | 111.2 | V15 D16 R21 A22 L23 | V15-E19 HydrophobicContact CG1-CG 4.34Å; V15-E19 WeakPolarHBondContact O-CB 3.42Å; V15-E19 WeakPolarHBondContact O-CG 3.49Å; V15-E19 PolarHBondContact O-N 2.86Å; D16-E19 PolarHBondContact O-N 2.83Å; E19-R21 VanDerWaalsContact C-N 3.33Å; E19-R21 PolarHBondContact O-N 2.87Å; E19-A22 PolarHBondContact O-N 3.3Å; E19-L23 WeakPolarHBondContact O-CB 3.41Å; E19-L23 WeakPolarHBondContact O-CG 3.34Å; E19-L23 PolarHBondContact O-N 2.95Å |
| 20 | D | 85.3 | Confident | 84 | Confident | 110 Ų | 110 | 94 Ų | 94 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -40.1 | 174.2 | -80.4 | -20.5 | 0 | 0 | 0 | 111.7 | D16 L23 A24 | D16-D20 WeakPolarHBondContact O-CB 3.49Å; D16-D20 PolarHBondContact O-N 3.4Å; D20-L23 PolarHBondContact O-N 3.5Å; D20-A24 WeakPolarHBondContact O-CB 3.38Å; D20-A24 PolarHBondContact O-N 2.89Å |
| 21 | R | 84.6 | Confident | 84.6 | Confident | 151 Ų | 151 | 95.4 Ų | 95.4 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66 | -41 | 173 | -80.5 | -179.6 | -71.6 | -179.1 | -3.3 | 112.1 | E17 A18 E19 L23 A24 V25 | E17-R21 WeakPolarHBondContact O-CB 3.34Å; E17-R21 VanDerWaalsContact O-CG 3.23Å; E17-R21 WeakPolarHBondContact O-CG 3.5Å; E17-R21 PolarHBondContact O-N 3.24Å; E17-R21 PolarHBondContact O-NE 3.27Å; A18-R21 PolarHBondContact O-N 2.83Å; E19-R21 VanDerWaalsContact C-N 3.33Å; E19-R21 PolarHBondContact O-N 2.87Å; R21-L23 VanDerWaalsContact C-N 3.35Å; R21-A24 PolarHBondContact O-N 3.22Å; R21-V25 WeakPolarHBondContact O-CB 3.34Å; R21-V25 VanDerWaalsContact O-CG2 3.28Å; R21-V25 WeakPolarHBondContact O-CG2 3.28Å; R21-V25 PolarHBondContact O-N 3.24Å |
| 22 | A | 85.1 | Confident | 85.4 | Confident | 60 Ų | 60 | 96.8 Ų | 96.8 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A18 E19 Q26 | A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.23Å; E19-A22 PolarHBondContact O-N 3.3Å; A22-Q26 VanDerWaalsContact O-CB 3.23Å; A22-Q26 WeakPolarHBondContact O-CB 3.47Å; A22-Q26 PolarHBondContact O-N 3.46Å |
| 23 | L | 87.3 | Confident | 86.2 | Confident | 97 Ų | 97 | 97.8 Ų | 97.8 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 174.5 | -78.5 | 164.3 | 0 | 0 | 0 | 112.5 | E19 D20 R21 Q26 R27 | E19-L23 WeakPolarHBondContact O-CB 3.41Å; E19-L23 WeakPolarHBondContact O-CG 3.34Å; E19-L23 PolarHBondContact O-N 2.95Å; D20-L23 PolarHBondContact O-N 3.5Å; R21-L23 VanDerWaalsContact C-N 3.35Å; L23-Q26 PolarHBondContact O-N 2.82Å; L23-R27 WeakPolarHBondContact O-CG 3.38Å; L23-R27 PolarHBondContact O-N 3.35Å |
| 24 | A | 87.2 | Confident | 86.7 | Confident | 44 Ų | 44 | 97.9 Ų | 97.9 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D20 R21 Q26 R27 E28 | D20-A24 WeakPolarHBondContact O-CB 3.38Å; D20-A24 PolarHBondContact O-N 2.89Å; R21-A24 PolarHBondContact O-N 3.22Å; A24-Q26 VanDerWaalsContact C-N 3.3Å; A24-Q26 PolarHBondContact O-N 3.34Å; A24-R27 PolarHBondContact O-N 2.86Å; A24-E28 WeakPolarHBondContact O-CG 3.4Å; A24-E28 PolarHBondContact O-N 3.19Å |
| 25 | V | 87.8 | Confident | 87.3 | Confident | 89 Ų | 89 | 97.2 Ų | 97.2 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | R21 E28 L29 | R21-V25 WeakPolarHBondContact O-CB 3.34Å; R21-V25 VanDerWaalsContact O-CG2 3.28Å; R21-V25 WeakPolarHBondContact O-CG2 3.28Å; R21-V25 PolarHBondContact O-N 3.24Å; V25-E28 PolarHBondContact O-N 3.49Å; V25-L29 VanDerWaalsContact O-CB 3.25Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 PolarHBondContact O-N 3.17Å |
| 26 | Q | 87.8 | Confident | 87.9 | Confident | 88 Ų | 88 | 101.4 Ų | 101.4 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.5 | -175.9 | 59.1 | 42.8 | 0 | 0 | 111.5 | A22 L23 A24 L29 D30 | A22-Q26 VanDerWaalsContact O-CB 3.23Å; A22-Q26 WeakPolarHBondContact O-CB 3.47Å; A22-Q26 PolarHBondContact O-N 3.46Å; L23-Q26 PolarHBondContact O-N 2.82Å; A24-Q26 VanDerWaalsContact C-N 3.3Å; A24-Q26 PolarHBondContact O-N 3.34Å; Q26-L29 PolarHBondContact O-N 2.89Å; Q26-D30 PolarHBondContact NE2-OD1 3.41Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.13Å; Q26-D30 PolarHBondContact NE2-OD2 2.9Å; Q26-D30 WeakPolarHBondContact O-CB 3.33Å; Q26-D30 VanDerWaalsContact O-CG 3.24Å; Q26-D30 PolarHBondContact O-N 2.89Å |
| 27 | R | 88.6 | Confident | 88.4 | Confident | 181 Ų | 181 | 103.9 Ų | 103.9 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 174.7 | -74 | 175.2 | -179.1 | 168.1 | 3.4 | 112 | L23 A24 L29 D30 T31 | L23-R27 WeakPolarHBondContact O-CG 3.38Å; L23-R27 PolarHBondContact O-N 3.35Å; A24-R27 PolarHBondContact O-N 2.86Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-D30 PolarHBondContact O-N 3.41Å; R27-T31 WeakPolarHBondContact O-CG2 3.22Å; R27-T31 PolarHBondContact O-N 3.45Å; R27-T31 PolarHBondContact O-OG1 2.95Å |
| 28 | E | 89.5 | Confident | 88.9 | Confident | 127 Ų | 127 | 105.9 Ų | 105.9 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 175.7 | -74.3 | 175.9 | -177.3 | 0 | 0 | 111.2 | A24 V25 D30 T31 E32 | A24-E28 WeakPolarHBondContact O-CG 3.4Å; A24-E28 PolarHBondContact O-N 3.19Å; V25-E28 PolarHBondContact O-N 3.49Å; E28-D30 PolarHBondContact O-N 3.45Å; E28-T31 WeakPolarHBondContact CA-OG1 3.46Å; E28-T31 PolarHBondContact O-N 2.79Å; E28-T31 PolarHBondContact O-OG1 3.39Å; E28-E32 WeakPolarHBondContact O-CB 3.36Å; E28-E32 PolarHBondContact O-N 3.13Å |
| 29 | L | 91 | Very high | 89.4 | Confident | 72 Ų | 72 | 106 Ų | 106 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.1 | 179 | 63.9 | 0 | 0 | 0 | 112.1 | V25 Q26 R27 E32 R33 | V25-L29 VanDerWaalsContact O-CB 3.25Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 PolarHBondContact O-N 3.17Å; Q26-L29 PolarHBondContact O-N 2.89Å; R27-L29 VanDerWaalsContact C-N 3.34Å; L29-E32 PolarHBondContact O-N 2.86Å; L29-R33 WeakPolarHBondContact O-CB 3.32Å; L29-R33 VanDerWaalsContact O-CG 3.23Å; L29-R33 WeakPolarHBondContact O-CG 3.39Å; L29-R33 PolarHBondContact O-N 3.41Å |
| 30 | D | 90.5 | Very high | 89.9 | Confident | 64 Ų | 64 | 105.3 Ų | 105.3 | 34% | 0.342 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 178.6 | -67.9 | -28.8 | 0 | 0 | 0 | 111.3 | Q26 R27 E28 R33 E34 | Q26-D30 PolarHBondContact NE2-OD1 3.41Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.13Å; Q26-D30 PolarHBondContact NE2-OD2 2.9Å; Q26-D30 WeakPolarHBondContact O-CB 3.33Å; Q26-D30 VanDerWaalsContact O-CG 3.24Å; Q26-D30 PolarHBondContact O-N 2.89Å; R27-D30 PolarHBondContact O-N 3.41Å; E28-D30 PolarHBondContact O-N 3.45Å; D30-R33 PolarHBondContact O-N 2.91Å; D30-R33 IonicContact OD1-NH1 3.51Å; D30-E34 PolarHBondContact O-N 3.28Å |
| 31 | T | 91.5 | Very high | 90.3 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 172.7 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | R27 E28 R33 E34 L35 | R27-T31 WeakPolarHBondContact O-CG2 3.22Å; R27-T31 PolarHBondContact O-N 3.45Å; R27-T31 PolarHBondContact O-OG1 2.95Å; E28-T31 WeakPolarHBondContact CA-OG1 3.46Å; E28-T31 PolarHBondContact O-N 2.79Å; E28-T31 PolarHBondContact O-OG1 3.39Å; T31-R33 VanDerWaalsContact C-N 3.33Å; T31-E34 PolarHBondContact O-N 3.38Å; T31-L35 WeakPolarHBondContact O-CG 3.49Å; T31-L35 PolarHBondContact O-N 2.89Å |
| 32 | E | 90.4 | Very high | 90.8 | Very high | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.5 | -35.7 | 177.9 | -167.5 | 62.6 | -159 | 0 | 0 | 111.1 | E28 L29 L35 R36 | E28-E32 WeakPolarHBondContact O-CB 3.36Å; E28-E32 PolarHBondContact O-N 3.13Å; L29-E32 PolarHBondContact O-N 2.86Å; E32-L35 PolarHBondContact O-N 2.95Å; E32-R36 VanDerWaalsContact O-CB 3.23Å; E32-R36 WeakPolarHBondContact O-CB 3.2Å; E32-R36 PolarHBondContact O-N 3.22Å |
| 33 | R | 91.3 | Very high | 91.3 | Very high | 135 Ų | 135 | 102.3 Ų | 102.3 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 171.9 | -78 | 170.1 | 173.2 | 177.6 | -3.9 | 111.8 | L29 D30 T31 L35 R36 E37 | L29-R33 WeakPolarHBondContact O-CB 3.32Å; L29-R33 VanDerWaalsContact O-CG 3.23Å; L29-R33 WeakPolarHBondContact O-CG 3.39Å; L29-R33 PolarHBondContact O-N 3.41Å; D30-R33 PolarHBondContact O-N 2.91Å; D30-R33 IonicContact OD1-NH1 3.51Å; T31-R33 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 2.68Å; R33-R36 PolarHBondContact O-N 3.03Å; R33-E37 WeakPolarHBondContact O-CG 3.45Å; R33-E37 PolarHBondContact O-N 3.46Å |
| 34 | E | 92.4 | Very high | 91.7 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.5 | -75 | -175 | -174.9 | 0 | 0 | 112.5 | D30 T31 E37 K38 | D30-E34 PolarHBondContact O-N 3.28Å; T31-E34 PolarHBondContact O-N 3.38Å; E34-E37 PolarHBondContact O-N 3.05Å; E34-K38 WeakPolarHBondContact O-CG 3.47Å; E34-K38 PolarHBondContact O-N 2.97Å |
| 35 | L | 92.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 101.5 Ų | 101.5 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.9 | -74.1 | 171.9 | 0 | 0 | 0 | 111.4 | T31 E32 R33 K38 A39 | T31-L35 WeakPolarHBondContact O-CG 3.49Å; T31-L35 PolarHBondContact O-N 2.89Å; E32-L35 PolarHBondContact O-N 2.95Å; R33-L35 PolarHBondContact O-N 2.68Å; L35-K38 PolarHBondContact O-N 3.47Å; L35-A39 WeakPolarHBondContact O-CB 3.36Å; L35-A39 PolarHBondContact O-N 2.82Å |
| 36 | R | 93.4 | Very high | 92.5 | Very high | 163 Ų | 163 | 102 Ų | 102 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -46 | 175.1 | -179.5 | -179.3 | 168.3 | -170.3 | -7.6 | 111.7 | E32 R33 K38 A39 E40 | E32-R36 VanDerWaalsContact O-CB 3.23Å; E32-R36 WeakPolarHBondContact O-CB 3.2Å; E32-R36 PolarHBondContact O-N 3.22Å; R33-R36 PolarHBondContact O-N 3.03Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.08Å; R36-A39 PolarHBondContact O-N 2.82Å; R36-E40 HydrophobicContact CG-CG 4.34Å; R36-E40 IonicContact CZ-OE1 3.26Å; R36-E40 VanDerWaalsContact CZ-OE1 3.26Å; R36-E40 IonicContact NE-OE1 2.76Å; R36-E40 PolarHBondContact NE-OE1 3.1Å; R36-E40 IonicContact NH2-OE1 2.88Å; R36-E40 PolarHBondContact NH2-OE1 2.96Å; R36-E40 WeakPolarHBondContact O-CB 3.38Å; R36-E40 WeakPolarHBondContact O-CG 3.4Å; R36-E40 PolarHBondContact O-N 3.12Å |
| 37 | E | 93.2 | Very high | 92.8 | Very high | 139 Ų | 139 | 101.9 Ų | 101.9 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -40.3 | 177.1 | -77.6 | -177.5 | -179.4 | 0 | 0 | 111.8 | R33 E34 G41 | R33-E37 WeakPolarHBondContact O-CG 3.45Å; R33-E37 PolarHBondContact O-N 3.46Å; E34-E37 PolarHBondContact O-N 3.05Å; E37-G41 PolarHBondContact O-N 2.81Å |
| 38 | K | 93.1 | Very high | 93.1 | Very high | 127 Ų | 127 | 101.8 Ų | 101.8 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 174.1 | -73.4 | 172.6 | -172.1 | 168.8 | 0 | 111.8 | E34 L35 R36 G41 E42 | E34-K38 WeakPolarHBondContact O-CG 3.47Å; E34-K38 PolarHBondContact O-N 2.97Å; L35-K38 PolarHBondContact O-N 3.47Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.08Å; K38-G41 PolarHBondContact O-N 3.29Å; K38-E42 WeakPolarHBondContact O-CG 3.43Å; K38-E42 PolarHBondContact O-N 2.95Å |
| 39 | A | 92 | Very high | 93.4 | Very high | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L35 R36 G41 E42 V43 | L35-A39 WeakPolarHBondContact O-CB 3.36Å; L35-A39 PolarHBondContact O-N 2.82Å; R36-A39 PolarHBondContact O-N 2.82Å; A39-G41 VanDerWaalsContact C-N 3.29Å; A39-G41 PolarHBondContact O-N 2.94Å; A39-E42 PolarHBondContact O-N 3.28Å; A39-V43 WeakPolarHBondContact O-CB 3.43Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.5Å; A39-V43 PolarHBondContact O-N 3.15Å |
| 40 | E | 93.2 | Very high | 93.7 | Very high | 99 Ų | 99 | 104.7 Ų | 104.7 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 174 | -74.8 | -179.7 | 179.7 | 0 | 0 | 111.1 | R36 A44 | R36-E40 HydrophobicContact CG-CG 4.34Å; R36-E40 IonicContact CZ-OE1 3.26Å; R36-E40 VanDerWaalsContact CZ-OE1 3.26Å; R36-E40 IonicContact NE-OE1 2.76Å; R36-E40 PolarHBondContact NE-OE1 3.1Å; R36-E40 IonicContact NH2-OE1 2.88Å; R36-E40 PolarHBondContact NH2-OE1 2.96Å; R36-E40 WeakPolarHBondContact O-CB 3.38Å; R36-E40 WeakPolarHBondContact O-CG 3.4Å; R36-E40 PolarHBondContact O-N 3.12Å; E40-A44 WeakPolarHBondContact O-CB 3.38Å; E40-A44 PolarHBondContact O-N 3.02Å |
| 41 | G | 94.4 | Very high | 94 | Very high | 43 Ų | 43 | 107.1 Ų | 107.1 | 44% | 0.443 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | E37 K38 A39 A44 S45 | E37-G41 PolarHBondContact O-N 2.81Å; K38-G41 PolarHBondContact O-N 3.29Å; A39-G41 VanDerWaalsContact C-N 3.29Å; A39-G41 PolarHBondContact O-N 2.94Å; G41-A44 PolarHBondContact O-N 3.33Å; G41-S45 PolarHBondContact O-N 3.36Å |
| 42 | E | 94.6 | Very high | 94.2 | Very high | 132 Ų | 132 | 108.3 Ų | 108.3 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -44.6 | 175.5 | -75.2 | -179.2 | -175.1 | 0 | 0 | 111.7 | K38 A39 A44 S45 L46 | K38-E42 WeakPolarHBondContact O-CG 3.43Å; K38-E42 PolarHBondContact O-N 2.95Å; A39-E42 PolarHBondContact O-N 3.28Å; E42-A44 VanDerWaalsContact C-N 3.33Å; E42-A44 PolarHBondContact O-N 2.85Å; E42-S45 PolarHBondContact O-N 3.43Å; E42-L46 WeakPolarHBondContact O-CB 3.46Å; E42-L46 WeakPolarHBondContact O-CG 3.48Å; E42-L46 PolarHBondContact O-N 2.99Å |
| 43 | V | 95.3 | Very high | 94.5 | Very high | 83 Ų | 83 | 106.2 Ų | 106.2 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | A39 S45 L46 N47 | A39-V43 WeakPolarHBondContact O-CB 3.43Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.5Å; A39-V43 PolarHBondContact O-N 3.15Å; V43-S45 VanDerWaalsContact C-N 3.34Å; V43-S45 PolarHBondContact O-N 3.1Å; V43-L46 PolarHBondContact O-N 3.47Å; V43-N47 WeakPolarHBondContact O-CB 3.47Å; V43-N47 VanDerWaalsContact O-CG 3.27Å; V43-N47 PolarHBondContact O-N 2.86Å; V43-N47 PolarHBondContact O-ND2 3.47Å |
| 44 | A | 95.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 104.9 Ų | 104.9 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E40 G41 E42 R48 | E40-A44 WeakPolarHBondContact O-CB 3.38Å; E40-A44 PolarHBondContact O-N 3.02Å; G41-A44 PolarHBondContact O-N 3.33Å; E42-A44 VanDerWaalsContact C-N 3.33Å; E42-A44 PolarHBondContact O-N 2.85Å; A44-R48 WeakPolarHBondContact O-CG 3.48Å; A44-R48 PolarHBondContact O-N 3.05Å; A44-R48 VanDerWaalsContact O-N 3.11Å |
| 45 | S | 96.1 | Very high | 95 | Very high | 78 Ų | 78 | 104 Ų | 104 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | G41 E42 V43 R48 R49 | G41-S45 PolarHBondContact O-N 3.36Å; E42-S45 PolarHBondContact O-N 3.43Å; V43-S45 VanDerWaalsContact C-N 3.34Å; V43-S45 PolarHBondContact O-N 3.1Å; S45-R48 PolarHBondContact O-N 2.99Å; S45-R49 PolarHBondContact O-N 3.31Å |
| 46 | L | 95.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 105.6 Ų | 105.6 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 177.5 | -73 | 173.2 | 0 | 0 | 0 | 111.4 | E42 V43 R48 R49 I50 | E42-L46 WeakPolarHBondContact O-CB 3.46Å; E42-L46 WeakPolarHBondContact O-CG 3.48Å; E42-L46 PolarHBondContact O-N 2.99Å; V43-L46 PolarHBondContact O-N 3.47Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-R48 PolarHBondContact O-N 2.97Å; L46-R49 WeakPolarHBondContact O-CB 3.33Å; L46-R49 PolarHBondContact O-N 2.82Å; L46-R49 VanDerWaalsContact O-N 3.11Å; L46-I50 WeakPolarHBondContact O-CG1 3.32Å; L46-I50 PolarHBondContact O-N 2.87Å |
| 47 | N | 94.6 | Very high | 95.3 | Very high | 87 Ų | 87 | 102.2 Ų | 102.2 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.1 | -77.1 | -29.3 | 0 | 0 | 0 | 112.1 | V43 R49 I50 Q51 | V43-N47 WeakPolarHBondContact O-CB 3.47Å; V43-N47 VanDerWaalsContact O-CG 3.27Å; V43-N47 PolarHBondContact O-N 2.86Å; V43-N47 PolarHBondContact O-ND2 3.47Å; N47-R49 VanDerWaalsContact C-N 3.33Å; N47-R49 PolarHBondContact O-N 3.43Å; N47-I50 PolarHBondContact O-N 3.1Å; N47-Q51 WeakPolarHBondContact O-CG 3.4Å; N47-Q51 PolarHBondContact O-N 2.86Å; N47-Q51 VanDerWaalsContact O-N 3.11Å |
| 48 | R | 95.4 | Very high | 95.5 | Very high | 179 Ų | 179 | 99.8 Ų | 99.8 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -40.8 | 172.4 | -74.3 | 178.4 | -178.5 | 176.8 | 2.1 | 112 | A44 S45 L46 Q51 L52 | A44-R48 WeakPolarHBondContact O-CG 3.48Å; A44-R48 PolarHBondContact O-N 3.05Å; A44-R48 VanDerWaalsContact O-N 3.11Å; S45-R48 PolarHBondContact O-N 2.99Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-R48 PolarHBondContact O-N 2.97Å; R48-Q51 PolarHBondContact O-N 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.37Å; R48-L52 VanDerWaalsContact O-N 3.1Å |
| 49 | R | 96.6 | Very high | 95.7 | Very high | 173 Ų | 173 | 101.2 Ų | 101.2 | 65% | 0.653 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 177.8 | -174 | 176.5 | 177.1 | 177.5 | -1 | 112 | S45 L46 N47 L52 V53 | S45-R49 PolarHBondContact O-N 3.31Å; L46-R49 WeakPolarHBondContact O-CB 3.33Å; L46-R49 PolarHBondContact O-N 2.82Å; L46-R49 VanDerWaalsContact O-N 3.11Å; N47-R49 VanDerWaalsContact C-N 3.33Å; N47-R49 PolarHBondContact O-N 3.43Å; R49-L52 PolarHBondContact O-N 3.06Å; R49-V53 VanDerWaalsContact O-CG2 3.32Å; R49-V53 WeakPolarHBondContact O-CG2 3.16Å; R49-V53 PolarHBondContact O-N 3.42Å |
| 50 | I | 96.6 | Very high | 95.9 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 175.5 | -71.5 | 167 | 0 | 0 | 0 | 109.8 | L46 N47 L52 V53 E54 | L46-I50 WeakPolarHBondContact O-CG1 3.32Å; L46-I50 PolarHBondContact O-N 2.87Å; N47-I50 PolarHBondContact O-N 3.1Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 2.81Å; I50-V53 PolarHBondContact O-N 3.42Å; I50-V53 VanDerWaalsContact O-N 3.14Å; I50-E54 HydrophobicContact CG2-CG 4.26Å; I50-E54 WeakPolarHBondContact O-CG 3.48Å; I50-E54 PolarHBondContact O-N 3.03Å |
| 51 | Q | 95.8 | Very high | 96.1 | Very high | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 178 | -72.7 | 177.5 | -19.6 | 0 | 0 | 112.6 | N47 R48 V53 E54 E55 | N47-Q51 WeakPolarHBondContact O-CG 3.4Å; N47-Q51 PolarHBondContact O-N 2.86Å; N47-Q51 VanDerWaalsContact O-N 3.11Å; R48-Q51 PolarHBondContact O-N 3.31Å; Q51-V53 PolarHBondContact O-N 3.39Å; Q51-E54 PolarHBondContact O-N 2.95Å; Q51-E55 WeakPolarHBondContact O-CG 3.16Å; Q51-E55 PolarHBondContact O-N 2.92Å |
| 52 | L | 96.6 | Very high | 96.2 | Very high | 102 Ų | 102 | 106.4 Ų | 106.4 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178 | -70.5 | 172.3 | 0 | 0 | 0 | 112.4 | R48 R49 I50 E55 E56 | R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.37Å; R48-L52 VanDerWaalsContact O-N 3.1Å; R49-L52 PolarHBondContact O-N 3.06Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 2.81Å; L52-E55 PolarHBondContact O-N 3.14Å; L52-E56 WeakPolarHBondContact O-CB 3.29Å; L52-E56 WeakPolarHBondContact O-CG 3.3Å; L52-E56 PolarHBondContact O-N 2.93Å |
| 53 | V | 96.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 109.4 Ų | 109.4 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | R49 I50 Q51 E56 L57 | R49-V53 VanDerWaalsContact O-CG2 3.32Å; R49-V53 WeakPolarHBondContact O-CG2 3.16Å; R49-V53 PolarHBondContact O-N 3.42Å; I50-V53 PolarHBondContact O-N 3.42Å; I50-V53 VanDerWaalsContact O-N 3.14Å; Q51-V53 PolarHBondContact O-N 3.39Å; V53-E56 PolarHBondContact O-N 3.44Å; V53-L57 VanDerWaalsContact O-CB 3.32Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 PolarHBondContact O-N 3.38Å |
| 54 | E | 96.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 173.7 | -73.2 | 174.4 | 159.3 | 0 | 0 | 110.9 | I50 Q51 E56 L57 D58 | I50-E54 HydrophobicContact CG2-CG 4.26Å; I50-E54 WeakPolarHBondContact O-CG 3.48Å; I50-E54 PolarHBondContact O-N 3.03Å; Q51-E54 PolarHBondContact O-N 2.95Å; E54-E56 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 2.88Å; E54-L57 WeakPolarHBondContact O-CB 3.33Å; E54-L57 PolarHBondContact O-N 2.86Å; E54-D58 PolarHBondContact O-N 2.86Å |
| 55 | E | 96.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 111.9 Ų | 111.9 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.2 | -74.2 | -177.5 | -162.4 | 0 | 0 | 112.7 | Q51 L52 R59 | Q51-E55 WeakPolarHBondContact O-CG 3.16Å; Q51-E55 PolarHBondContact O-N 2.92Å; L52-E55 PolarHBondContact O-N 3.14Å; E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 VanDerWaalsContact O-CG 3.27Å; E55-R59 WeakPolarHBondContact O-CG 3.33Å; E55-R59 PolarHBondContact O-N 2.98Å; E55-R59 VanDerWaalsContact O-N 3.08Å; E55-R59 IonicContact OE2-NH2 3.62Å |
| 56 | E | 96.8 | Very high | 96.6 | Very high | 133 Ų | 133 | 111.8 Ų | 111.8 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 174.9 | -78.4 | -178.7 | 178.9 | 0 | 0 | 112 | L52 V53 E54 A60 | L52-E56 WeakPolarHBondContact O-CB 3.29Å; L52-E56 WeakPolarHBondContact O-CG 3.3Å; L52-E56 PolarHBondContact O-N 2.93Å; V53-E56 PolarHBondContact O-N 3.44Å; E54-E56 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 2.88Å; E56-A60 WeakPolarHBondContact O-CB 3.5Å; E56-A60 PolarHBondContact O-N 3.43Å |
| 57 | L | 96.8 | Very high | 96.7 | Very high | 92 Ų | 92 | 109.7 Ų | 109.7 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 176.3 | -179.9 | 62.6 | 0 | 0 | 0 | 110.9 | V53 E54 R59 A60 Q61 | V53-L57 VanDerWaalsContact O-CB 3.32Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 PolarHBondContact O-N 3.38Å; E54-L57 WeakPolarHBondContact O-CB 3.33Å; E54-L57 PolarHBondContact O-N 2.86Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.31Å; L57-A60 PolarHBondContact O-N 3.45Å; L57-A60 VanDerWaalsContact O-N 3.15Å; L57-Q61 HydrophobicContact CD1-CG 4.35Å; L57-Q61 WeakPolarHBondContact O-CB 3.35Å; L57-Q61 VanDerWaalsContact O-CG 3.32Å; L57-Q61 WeakPolarHBondContact O-CG 3.43Å; L57-Q61 PolarHBondContact O-N 3.38Å |
| 58 | D | 97.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 110.3 Ų | 110.3 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.7 | -46 | 178 | -72.4 | -16.5 | 0 | 0 | 0 | 110.7 | E54 A60 Q61 E62 | E54-D58 PolarHBondContact O-N 2.86Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 2.97Å; D58-Q61 PolarHBondContact O-N 3Å; D58-E62 WeakPolarHBondContact O-CG 3.32Å; D58-E62 PolarHBondContact O-N 3.23Å |
| 59 | R | 97 | Very high | 97 | Very high | 156 Ų | 156 | 106.2 Ų | 106.2 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 175.2 | -71.9 | 175.9 | -168.9 | 175 | 11.5 | 112.5 | E55 L57 R63 | E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 VanDerWaalsContact O-CG 3.27Å; E55-R59 WeakPolarHBondContact O-CG 3.33Å; E55-R59 PolarHBondContact O-N 2.98Å; E55-R59 VanDerWaalsContact O-N 3.08Å; E55-R59 IonicContact OE2-NH2 3.62Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.31Å; R59-R63 WeakPolarHBondContact O-CB 3.12Å; R59-R63 VanDerWaalsContact O-CG 3.26Å; R59-R63 WeakPolarHBondContact O-CG 3.44Å; R59-R63 PolarHBondContact O-N 3.29Å; R59-R63 VanDerWaalsContact O-N 3.12Å |
| 60 | A | 96.9 | Very high | 97 | Very high | 56 Ų | 56 | 104.3 Ų | 104.3 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E56 L57 D58 R63 L64 | E56-A60 WeakPolarHBondContact O-CB 3.5Å; E56-A60 PolarHBondContact O-N 3.43Å; L57-A60 PolarHBondContact O-N 3.45Å; L57-A60 VanDerWaalsContact O-N 3.15Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 2.97Å; A60-R63 PolarHBondContact O-N 2.93Å; A60-L64 WeakPolarHBondContact O-CB 3.48Å; A60-L64 PolarHBondContact O-N 2.92Å |
| 61 | Q | 96.9 | Very high | 97.1 | Very high | 106 Ų | 106 | 104.5 Ų | 104.5 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.6 | -73.9 | 178.7 | -4.5 | 0 | 0 | 112.1 | L57 D58 R63 L64 S65 | L57-Q61 HydrophobicContact CD1-CG 4.35Å; L57-Q61 WeakPolarHBondContact O-CB 3.35Å; L57-Q61 VanDerWaalsContact O-CG 3.32Å; L57-Q61 WeakPolarHBondContact O-CG 3.43Å; L57-Q61 PolarHBondContact O-N 3.38Å; D58-Q61 PolarHBondContact O-N 3Å; Q61-R63 VanDerWaalsContact C-N 3.34Å; Q61-R63 PolarHBondContact O-N 2.89Å; Q61-L64 PolarHBondContact O-N 3.49Å; Q61-S65 WeakPolarHBondContact O-CB 3.34Å; Q61-S65 PolarHBondContact O-N 3.41Å |
| 62 | E | 96.9 | Very high | 97.1 | Very high | 138 Ų | 138 | 103.8 Ų | 103.8 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -43.3 | 174.9 | -74.2 | -176.1 | 166.5 | 0 | 0 | 111.9 | D58 S65 T66 | D58-E62 WeakPolarHBondContact O-CG 3.32Å; D58-E62 PolarHBondContact O-N 3.23Å; E62-S65 PolarHBondContact O-N 2.99Å; E62-T66 PolarHBondContact O-N 2.94Å; E62-T66 PolarHBondContact O-OG1 3.25Å |
| 63 | R | 97.4 | Very high | 97.2 | Very high | 196 Ų | 196 | 104.5 Ų | 104.5 | 74% | 0.74 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 176 | -73.5 | 176.2 | 70.1 | -177.7 | 2.7 | 111.8 | R59 A60 Q61 T66 A67 | R59-R63 WeakPolarHBondContact O-CB 3.12Å; R59-R63 VanDerWaalsContact O-CG 3.26Å; R59-R63 WeakPolarHBondContact O-CG 3.44Å; R59-R63 PolarHBondContact O-N 3.29Å; R59-R63 VanDerWaalsContact O-N 3.12Å; A60-R63 PolarHBondContact O-N 2.93Å; Q61-R63 VanDerWaalsContact C-N 3.34Å; Q61-R63 PolarHBondContact O-N 2.89Å; R63-T66 PolarHBondContact O-N 3.32Å; R63-A67 WeakPolarHBondContact O-CB 3.44Å; R63-A67 PolarHBondContact O-N 3.42Å |
| 64 | L | 97.3 | Very high | 97.2 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.6 | 178.8 | 62.1 | 0 | 0 | 0 | 111 | A60 Q61 T66 A67 L68 | A60-L64 WeakPolarHBondContact O-CB 3.48Å; A60-L64 PolarHBondContact O-N 2.92Å; Q61-L64 PolarHBondContact O-N 3.49Å; L64-T66 VanDerWaalsContact C-N 3.32Å; L64-T66 PolarHBondContact O-N 2.83Å; L64-A67 PolarHBondContact O-N 3.44Å; L64-A67 VanDerWaalsContact O-N 3.15Å; L64-L68 HydrophobicContact CD1-CD1 4.31Å; L64-L68 HydrophobicContact CD1-CG 4.23Å; L64-L68 HydrophobicContact CG-CD1 4.11Å; L64-L68 HydrophobicContact CG-CG 4.46Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 2.88Å |
| 65 | S | 97.8 | Very high | 97.2 | Very high | 77 Ų | 77 | 103.6 Ų | 103.6 | 54% | 0.538 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 177 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | Q61 E62 A67 L68 L69 | Q61-S65 WeakPolarHBondContact O-CB 3.34Å; Q61-S65 PolarHBondContact O-N 3.41Å; E62-S65 PolarHBondContact O-N 2.99Å; S65-A67 PolarHBondContact O-N 3.14Å; S65-L68 PolarHBondContact O-N 3.25Å; S65-L69 PolarHBondContact O-N 3.3Å |
| 66 | T | 97.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 104.4 Ų | 104.4 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | E62 R63 L64 K70 | E62-T66 PolarHBondContact O-N 2.94Å; E62-T66 PolarHBondContact O-OG1 3.25Å; R63-T66 PolarHBondContact O-N 3.32Å; L64-T66 VanDerWaalsContact C-N 3.32Å; L64-T66 PolarHBondContact O-N 2.83Å; T66-K70 WeakPolarHBondContact O-CG 3.49Å; T66-K70 PolarHBondContact O-N 3.37Å; T66-K70 VanDerWaalsContact O-N 3.13Å |
| 67 | A | 97.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 100.8 Ų | 100.8 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | R63 L64 S65 K70 L71 | R63-A67 WeakPolarHBondContact O-CB 3.44Å; R63-A67 PolarHBondContact O-N 3.42Å; L64-A67 PolarHBondContact O-N 3.44Å; L64-A67 VanDerWaalsContact O-N 3.15Å; S65-A67 PolarHBondContact O-N 3.14Å; A67-K70 PolarHBondContact O-N 3.25Å; A67-L71 WeakPolarHBondContact O-CB 3.38Å; A67-L71 PolarHBondContact O-N 3.23Å |
| 68 | L | 97.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176 | -72.1 | 172.7 | 0 | 0 | 0 | 111.7 | L64 S65 K70 L71 E72 | L64-L68 HydrophobicContact CD1-CD1 4.31Å; L64-L68 HydrophobicContact CD1-CG 4.23Å; L64-L68 HydrophobicContact CG-CD1 4.11Å; L64-L68 HydrophobicContact CG-CG 4.46Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 2.88Å; S65-L68 PolarHBondContact O-N 3.25Å; L68-K70 PolarHBondContact O-N 3.09Å; L68-L71 WeakPolarHBondContact O-CB 3.38Å; L68-L71 PolarHBondContact O-N 3.1Å; L68-E72 PolarHBondContact O-N 3.42Å |
| 69 | L | 97.8 | Very high | 97.3 | Very high | 93 Ų | 93 | 99.1 Ų | 99.1 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.5 | -174.7 | 142.1 | 0 | 0 | 0 | 111.6 | S65 L71 E72 E73 | S65-L69 PolarHBondContact O-N 3.3Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 2.96Å; L69-E72 PolarHBondContact O-N 3.08Å; L69-E73 HydrophobicContact CD2-CG 4.46Å; L69-E73 WeakPolarHBondContact CD2-OE1 3.46Å; L69-E73 WeakPolarHBondContact O-CG 3.28Å; L69-E73 PolarHBondContact O-N 3.16Å |
| 70 | K | 97.9 | Very high | 97.3 | Very high | 132 Ų | 132 | 98.4 Ų | 98.4 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -35.2 | 175.1 | -73.8 | 179.8 | 178.6 | -177.7 | 0 | 113.1 | T66 A67 L68 A74 | T66-K70 WeakPolarHBondContact O-CG 3.49Å; T66-K70 PolarHBondContact O-N 3.37Å; T66-K70 VanDerWaalsContact O-N 3.13Å; A67-K70 PolarHBondContact O-N 3.25Å; L68-K70 PolarHBondContact O-N 3.09Å; K70-A74 WeakPolarHBondContact O-CB 3.3Å; K70-A74 PolarHBondContact O-N 3.14Å |
| 71 | L | 97.5 | Very high | 97.3 | Very high | 91 Ų | 91 | 99.8 Ų | 99.8 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 175.5 | -179.8 | 64.3 | 0 | 0 | 0 | 110.4 | A67 L68 L69 E73 A74 E75 | A67-L71 WeakPolarHBondContact O-CB 3.38Å; A67-L71 PolarHBondContact O-N 3.23Å; L68-L71 WeakPolarHBondContact O-CB 3.38Å; L68-L71 PolarHBondContact O-N 3.1Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 2.96Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-E73 PolarHBondContact O-N 2.95Å; L71-A74 PolarHBondContact O-N 3.27Å; L71-A74 VanDerWaalsContact O-N 3.16Å; L71-E75 HydrophobicContact CD1-CG 4.42Å; L71-E75 HydrophobicContact CG-CG 4.5Å; L71-E75 WeakPolarHBondContact O-CG 3.45Å; L71-E75 PolarHBondContact O-N 2.95Å |
| 72 | E | 97.5 | Very high | 97.4 | Very high | 101 Ų | 101 | 100.6 Ų | 100.6 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.8 | -169.1 | -172.3 | 158.2 | 0 | 0 | 112 | L68 L69 E75 K76 | L68-E72 PolarHBondContact O-N 3.42Å; L69-E72 PolarHBondContact O-N 3.08Å; E72-E75 PolarHBondContact O-N 3.11Å; E72-K76 WeakPolarHBondContact O-CG 3.5Å; E72-K76 PolarHBondContact O-N 2.81Å; E72-K76 WeakPolarHBondContact OE1-CE 3.46Å; E72-K76 IonicContact OE1-NZ 3.69Å; E72-K76 PolarHBondContact OE1-NZ 2.95Å |
| 73 | E | 97.4 | Very high | 97.4 | Very high | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 174.2 | -72.4 | 178.1 | 169.4 | 0 | 0 | 112.2 | L69 L71 K76 A77 | L69-E73 HydrophobicContact CD2-CG 4.46Å; L69-E73 WeakPolarHBondContact CD2-OE1 3.46Å; L69-E73 WeakPolarHBondContact O-CG 3.28Å; L69-E73 PolarHBondContact O-N 3.16Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-E73 PolarHBondContact O-N 2.95Å; E73-K76 PolarHBondContact O-N 3.03Å; E73-A77 WeakPolarHBondContact O-CB 3.41Å; E73-A77 PolarHBondContact O-N 3.36Å |
| 74 | A | 97.4 | Very high | 97.4 | Very high | 57 Ų | 57 | 95.1 Ų | 95.1 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K70 L71 A77 A78 | K70-A74 WeakPolarHBondContact O-CB 3.3Å; K70-A74 PolarHBondContact O-N 3.14Å; L71-A74 PolarHBondContact O-N 3.27Å; L71-A74 VanDerWaalsContact O-N 3.16Å; A74-A77 PolarHBondContact O-N 3.5Å; A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.23Å |
| 75 | E | 96.9 | Very high | 97.3 | Very high | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 174.8 | -75.2 | 177.5 | 168.9 | 0 | 0 | 111.1 | L71 E72 A77 A78 D79 | L71-E75 HydrophobicContact CD1-CG 4.42Å; L71-E75 HydrophobicContact CG-CG 4.5Å; L71-E75 WeakPolarHBondContact O-CG 3.45Å; L71-E75 PolarHBondContact O-N 2.95Å; E72-E75 PolarHBondContact O-N 3.11Å; E75-A77 VanDerWaalsContact C-N 3.35Å; E75-A77 PolarHBondContact O-N 3.11Å; E75-A78 PolarHBondContact O-N 3.5Å; E75-D79 PolarHBondContact O-N 3.2Å |
| 76 | K | 97.5 | Very high | 97.3 | Very high | 114 Ų | 114 | 98.6 Ų | 98.6 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.1 | -74.5 | 174.4 | -174 | 162.7 | 0 | 112.2 | E72 E73 A78 D79 E80 | E72-K76 WeakPolarHBondContact O-CG 3.5Å; E72-K76 PolarHBondContact O-N 2.81Å; E72-K76 WeakPolarHBondContact OE1-CE 3.46Å; E72-K76 IonicContact OE1-NZ 3.69Å; E72-K76 PolarHBondContact OE1-NZ 2.95Å; E73-K76 PolarHBondContact O-N 3.03Å; K76-A78 VanDerWaalsContact C-N 3.33Å; K76-A78 PolarHBondContact O-N 2.93Å; K76-D79 PolarHBondContact O-N 3.11Å; K76-E80 WeakPolarHBondContact O-CG 3.47Å; K76-E80 PolarHBondContact O-N 3.04Å |
| 77 | A | 97.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 99.2 Ų | 99.2 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E73 A74 E75 S81 | E73-A77 WeakPolarHBondContact O-CB 3.41Å; E73-A77 PolarHBondContact O-N 3.36Å; A74-A77 PolarHBondContact O-N 3.5Å; E75-A77 VanDerWaalsContact C-N 3.35Å; E75-A77 PolarHBondContact O-N 3.11Å; A77-S81 WeakPolarHBondContact O-CB 3.48Å; A77-S81 PolarHBondContact O-N 2.95Å |
| 78 | A | 97.4 | Very high | 97.4 | Very high | 58 Ų | 58 | 102.3 Ų | 102.3 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A74 E75 K76 E80 S81 E82 | A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.23Å; E75-A78 PolarHBondContact O-N 3.5Å; K76-A78 VanDerWaalsContact C-N 3.33Å; K76-A78 PolarHBondContact O-N 2.93Å; A78-E80 VanDerWaalsContact C-N 3.34Å; A78-E80 PolarHBondContact O-N 2.89Å; A78-S81 WeakPolarHBondContact O-CB 3.35Å; A78-S81 PolarHBondContact O-N 3.32Å; A78-E82 PolarHBondContact O-N 3.44Å |
| 79 | D | 97.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 102.9 Ų | 102.9 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.7 | -79.5 | -2.5 | 0 | 0 | 0 | 112 | E75 K76 E82 R83 | E75-D79 PolarHBondContact O-N 3.2Å; K76-D79 PolarHBondContact O-N 3.11Å; D79-E82 PolarHBondContact O-N 2.96Å; D79-R83 VanDerWaalsContact O-CG 3.31Å; D79-R83 WeakPolarHBondContact O-CG 3.48Å; D79-R83 PolarHBondContact O-N 3.35Å |
| 80 | E | 96.9 | Very high | 97.3 | Very high | 142 Ų | 142 | 102.3 Ų | 102.3 | 66% | 0.664 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 175.4 | -74.1 | -179.3 | 177.8 | 0 | 0 | 111.8 | K76 A78 R83 G84 | K76-E80 WeakPolarHBondContact O-CG 3.47Å; K76-E80 PolarHBondContact O-N 3.04Å; A78-E80 VanDerWaalsContact C-N 3.34Å; A78-E80 PolarHBondContact O-N 2.89Å; E80-R83 PolarHBondContact O-N 2.97Å; E80-G84 PolarHBondContact O-N 3.38Å |
| 81 | S | 96.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 103.9 Ų | 103.9 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 112 | A77 A78 G84 M85 | A77-S81 WeakPolarHBondContact O-CB 3.48Å; A77-S81 PolarHBondContact O-N 2.95Å; A78-S81 WeakPolarHBondContact O-CB 3.35Å; A78-S81 PolarHBondContact O-N 3.32Å; S81-G84 PolarHBondContact O-N 2.87Å; S81-M85 WeakPolarHBondContact O-CB 3.43Å; S81-M85 PolarHBondContact O-N 3Å |
| 82 | E | 97.2 | Very high | 97.3 | Very high | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 177.6 | -170.4 | -176.5 | 167.4 | 0 | 0 | 111.1 | A78 D79 G84 M85 K86 | A78-E82 PolarHBondContact O-N 3.44Å; D79-E82 PolarHBondContact O-N 2.96Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-G84 PolarHBondContact O-N 3.26Å; E82-M85 PolarHBondContact O-N 3.42Å; E82-K86 PolarHBondContact O-N 3.09Å |
| 83 | R | 97.3 | Very high | 97.4 | Very high | 186 Ų | 186 | 101.9 Ų | 101.9 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 173.3 | -71.7 | 174.7 | -175.9 | -168.8 | 3.9 | 111.6 | D79 E80 K86 V87 | D79-R83 VanDerWaalsContact O-CG 3.31Å; D79-R83 WeakPolarHBondContact O-CG 3.48Å; D79-R83 PolarHBondContact O-N 3.35Å; E80-R83 PolarHBondContact O-N 2.97Å; R83-K86 PolarHBondContact O-N 3.13Å; R83-V87 WeakPolarHBondContact O-CG2 3.49Å; R83-V87 PolarHBondContact O-N 3.01Å; R83-V87 VanDerWaalsContact O-N 3.1Å |
| 84 | G | 97.1 | Very high | 97.4 | Very high | 33 Ų | 33 | 103.1 Ų | 103.1 | 34% | 0.34 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E80 S81 E82 K86 V87 I88 | E80-G84 PolarHBondContact O-N 3.38Å; S81-G84 PolarHBondContact O-N 2.87Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-G84 PolarHBondContact O-N 3.26Å; G84-K86 VanDerWaalsContact C-N 3.35Å; G84-K86 PolarHBondContact O-N 3.44Å; G84-V87 PolarHBondContact O-N 3.23Å; G84-I88 WeakPolarHBondContact O-CG1 3.46Å; G84-I88 PolarHBondContact O-N 2.87Å; G84-I88 VanDerWaalsContact O-N 3.07Å |
| 85 | M | 96.9 | Very high | 97.4 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.9 | -47.1 | 176.9 | -172.9 | 178.8 | 76.8 | 0 | 0 | 111.3 | S81 E82 V87 I88 E89 | S81-M85 WeakPolarHBondContact O-CB 3.43Å; S81-M85 PolarHBondContact O-N 3Å; E82-M85 PolarHBondContact O-N 3.42Å; M85-V87 VanDerWaalsContact C-N 3.32Å; M85-V87 PolarHBondContact O-N 3.27Å; M85-I88 PolarHBondContact O-N 3.03Å; M85-I88 VanDerWaalsContact O-N 3.16Å; M85-E89 WeakPolarHBondContact O-CB 3.42Å; M85-E89 PolarHBondContact O-N 3.49Å |
| 86 | K | 97.8 | Very high | 97.4 | Very high | 132 Ų | 132 | 105 Ų | 105 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -36.2 | 179.7 | -166.9 | 169 | -171.2 | 168.9 | 0 | 112.8 | E82 R83 G84 N90 | E82-K86 PolarHBondContact O-N 3.09Å; R83-K86 PolarHBondContact O-N 3.13Å; G84-K86 VanDerWaalsContact C-N 3.35Å; G84-K86 PolarHBondContact O-N 3.44Å; K86-N90 WeakPolarHBondContact O-CB 3.38Å; K86-N90 PolarHBondContact O-N 3.45Å; K86-N90 VanDerWaalsContact O-N 3.08Å; K86-N90 PolarHBondContact O-ND2 2.88Å |
| 87 | V | 98 | Very high | 97.4 | Very high | 89 Ų | 89 | 105.1 Ų | 105.1 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | R83 G84 M85 R91 | R83-V87 WeakPolarHBondContact O-CG2 3.49Å; R83-V87 PolarHBondContact O-N 3.01Å; R83-V87 VanDerWaalsContact O-N 3.1Å; G84-V87 PolarHBondContact O-N 3.23Å; M85-V87 VanDerWaalsContact C-N 3.32Å; M85-V87 PolarHBondContact O-N 3.27Å; V87-R91 PolarHBondContact O-N 3.41Å |
| 88 | I | 97.3 | Very high | 97.5 | Very high | 119 Ų | 119 | 108.2 Ų | 108.2 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 178 | -67.5 | 168.7 | 0 | 0 | 0 | 110.5 | G84 M85 N90 R91 A92 | G84-I88 WeakPolarHBondContact O-CG1 3.46Å; G84-I88 PolarHBondContact O-N 2.87Å; G84-I88 VanDerWaalsContact O-N 3.07Å; M85-I88 PolarHBondContact O-N 3.03Å; M85-I88 VanDerWaalsContact O-N 3.16Å; I88-N90 PolarHBondContact O-N 3.46Å; I88-R91 WeakPolarHBondContact O-CB 3.49Å; I88-R91 PolarHBondContact O-N 3.43Å; I88-R91 VanDerWaalsContact O-N 3.11Å; I88-A92 WeakPolarHBondContact O-CB 3.46Å; I88-A92 PolarHBondContact O-N 3.11Å |
| 89 | E | 97.1 | Very high | 97.5 | Very high | 112 Ų | 112 | 110 Ų | 110 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.9 | -49 | 176.5 | -176.3 | 180 | -151.3 | 0 | 0 | 111.4 | M85 R91 A92 M93 | M85-E89 WeakPolarHBondContact O-CB 3.42Å; M85-E89 PolarHBondContact O-N 3.49Å; E89-R91 PolarHBondContact O-N 2.83Å; E89-A92 PolarHBondContact O-N 3.31Å; E89-M93 WeakPolarHBondContact O-CG 3.43Å; E89-M93 PolarHBondContact O-N 3.37Å |
| 90 | N | 97.3 | Very high | 97.6 | Very high | 81 Ų | 81 | 111.1 Ų | 111.1 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -31.8 | 176.3 | -80.5 | -68 | 0 | 0 | 0 | 113.1 | K86 I88 K94 | K86-N90 WeakPolarHBondContact O-CB 3.38Å; K86-N90 PolarHBondContact O-N 3.45Å; K86-N90 VanDerWaalsContact O-N 3.08Å; K86-N90 PolarHBondContact O-ND2 2.88Å; I88-N90 PolarHBondContact O-N 3.46Å; N90-K94 WeakPolarHBondContact O-CG 3.43Å; N90-K94 PolarHBondContact O-N 3.29Å |
| 91 | R | 98 | Very high | 97.6 | Very high | 166 Ų | 166 | 109 Ų | 109 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.3 | -45.7 | 175.3 | -175.3 | 176.6 | -68.4 | 169.6 | -0.6 | 110.7 | V87 I88 E89 M93 K94 D95 | V87-R91 PolarHBondContact O-N 3.41Å; I88-R91 WeakPolarHBondContact O-CB 3.49Å; I88-R91 PolarHBondContact O-N 3.43Å; I88-R91 VanDerWaalsContact O-N 3.11Å; E89-R91 PolarHBondContact O-N 2.83Å; R91-M93 VanDerWaalsContact C-N 3.34Å; R91-M93 PolarHBondContact O-N 2.99Å; R91-K94 PolarHBondContact O-N 3.06Å; R91-D95 PolarHBondContact O-N 3.5Å |
| 92 | A | 97.7 | Very high | 97.7 | Very high | 52 Ų | 52 | 110 Ų | 110 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I88 E89 K94 D95 E96 | I88-A92 WeakPolarHBondContact O-CB 3.46Å; I88-A92 PolarHBondContact O-N 3.11Å; E89-A92 PolarHBondContact O-N 3.31Å; A92-K94 PolarHBondContact O-N 3.21Å; A92-D95 PolarHBondContact O-N 3.3Å; A92-E96 WeakPolarHBondContact O-CB 3.29Å; A92-E96 PolarHBondContact O-N 3.31Å |
| 93 | M | 97.8 | Very high | 97.7 | Very high | 98 Ų | 98 | 109.5 Ų | 109.5 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.6 | -69.5 | -177.6 | 72.7 | 0 | 0 | 112.6 | E89 R91 E96 E97 | E89-M93 WeakPolarHBondContact O-CG 3.43Å; E89-M93 PolarHBondContact O-N 3.37Å; R91-M93 VanDerWaalsContact C-N 3.34Å; R91-M93 PolarHBondContact O-N 2.99Å; M93-E96 PolarHBondContact O-N 2.97Å; M93-E97 WeakPolarHBondContact O-CG 3.28Å; M93-E97 PolarHBondContact O-N 3.49Å |
| 94 | K | 97.9 | Very high | 97.7 | Very high | 142 Ų | 142 | 106.4 Ų | 106.4 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 178.2 | -73.7 | 178.1 | 179.9 | -176.8 | 0 | 112.7 | N90 R91 A92 E96 K98 | N90-K94 WeakPolarHBondContact O-CG 3.43Å; N90-K94 PolarHBondContact O-N 3.29Å; R91-K94 PolarHBondContact O-N 3.06Å; A92-K94 PolarHBondContact O-N 3.21Å; K94-E96 VanDerWaalsContact C-N 3.34Å; K94-K98 WeakPolarHBondContact O-CB 3.49Å; K94-K98 PolarHBondContact O-N 2.9Å |
| 95 | D | 97.7 | Very high | 97.8 | Very high | 95 Ų | 95 | 110.5 Ų | 110.5 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69 | -37.1 | 177.4 | -70.9 | -22 | 0 | 0 | 0 | 110.7 | R91 A92 K98 M99 | R91-D95 PolarHBondContact O-N 3.5Å; A92-D95 PolarHBondContact O-N 3.3Å; D95-K98 PolarHBondContact O-N 2.9Å; D95-M99 WeakPolarHBondContact O-CB 3.48Å; D95-M99 PolarHBondContact O-N 3.47Å |
| 96 | E | 97.9 | Very high | 97.8 | Very high | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 173.9 | -171.6 | 169 | -157.8 | 0 | 0 | 111.8 | A92 M93 K94 K98 M99 E100 | A92-E96 WeakPolarHBondContact O-CB 3.29Å; A92-E96 PolarHBondContact O-N 3.31Å; M93-E96 PolarHBondContact O-N 2.97Å; K94-E96 VanDerWaalsContact C-N 3.34Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.47Å; E96-M99 WeakPolarHBondContact O-CB 3.3Å; E96-M99 PolarHBondContact O-N 3.04Å; E96-M99 VanDerWaalsContact O-N 3.07Å; E96-E100 PolarHBondContact O-N 3.15Å |
| 97 | E | 97.6 | Very high | 97.9 | Very high | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.1 | -41.9 | 174.8 | -74 | 176.7 | -179.8 | 0 | 0 | 111.9 | M93 E100 I101 | M93-E97 WeakPolarHBondContact O-CG 3.28Å; M93-E97 PolarHBondContact O-N 3.49Å; E97-E100 PolarHBondContact O-N 3.39Å; E97-I101 VanDerWaalsContact O-CG1 3.31Å; E97-I101 WeakPolarHBondContact O-CG1 3.33Å; E97-I101 PolarHBondContact O-N 3.43Å; E97-I101 VanDerWaalsContact O-N 3.16Å |
| 98 | K | 98.2 | Very high | 97.9 | Very high | 122 Ų | 122 | 112.3 Ų | 112.3 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 178 | -175.1 | 179.4 | 176.7 | -173.7 | 0 | 111.7 | K94 D95 E96 I101 Q102 | K94-K98 WeakPolarHBondContact O-CB 3.49Å; K94-K98 PolarHBondContact O-N 2.9Å; D95-K98 PolarHBondContact O-N 2.9Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.47Å; K98-I101 PolarHBondContact O-N 3.42Å; K98-Q102 WeakPolarHBondContact O-CB 3.5Å; K98-Q102 VanDerWaalsContact O-CG 3.32Å; K98-Q102 WeakPolarHBondContact O-CG 3.45Å; K98-Q102 PolarHBondContact O-N 3.11Å |
| 99 | M | 97.8 | Very high | 97.9 | Very high | 97 Ų | 97 | 109.3 Ų | 109.3 | 48% | 0.478 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 177.3 | -171.2 | -179.9 | 76.3 | 0 | 0 | 110.5 | D95 E96 I101 Q102 E103 | D95-M99 WeakPolarHBondContact O-CB 3.48Å; D95-M99 PolarHBondContact O-N 3.47Å; E96-M99 WeakPolarHBondContact O-CB 3.3Å; E96-M99 PolarHBondContact O-N 3.04Å; E96-M99 VanDerWaalsContact O-N 3.07Å; M99-I101 PolarHBondContact O-N 3.49Å; M99-Q102 PolarHBondContact O-N 2.72Å; M99-Q102 VanDerWaalsContact O-N 3.16Å; M99-E103 WeakPolarHBondContact O-CG 3.42Å; M99-E103 PolarHBondContact O-N 3.32Å |
| 100 | E | 98.1 | Very high | 98 | Very high | 110 Ų | 110 | 109.7 Ų | 109.7 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 177.3 | -70.2 | -174.3 | 167.9 | 0 | 0 | 112.4 | E96 E97 Q102 E103 L104 | E96-E100 PolarHBondContact O-N 3.15Å; E97-E100 PolarHBondContact O-N 3.39Å; E100-Q102 VanDerWaalsContact C-N 3.34Å; E100-Q102 PolarHBondContact O-N 3.11Å; E100-E103 PolarHBondContact O-N 2.99Å; E100-L104 WeakPolarHBondContact O-CG 3.36Å; E100-L104 PolarHBondContact O-N 3.15Å |
| 101 | I | 98 | Very high | 98 | Very high | 97 Ų | 97 | 110.7 Ų | 110.7 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.8 | -66.8 | 166.1 | 0 | 0 | 0 | 110.7 | E97 K98 M99 E103 L104 Q105 | E97-I101 VanDerWaalsContact O-CG1 3.31Å; E97-I101 WeakPolarHBondContact O-CG1 3.33Å; E97-I101 PolarHBondContact O-N 3.43Å; E97-I101 VanDerWaalsContact O-N 3.16Å; K98-I101 PolarHBondContact O-N 3.42Å; M99-I101 PolarHBondContact O-N 3.49Å; I101-E103 VanDerWaalsContact C-N 3.35Å; I101-L104 PolarHBondContact O-N 2.91Å; I101-Q105 WeakPolarHBondContact O-CG 3.45Å; I101-Q105 PolarHBondContact O-N 3.23Å |
| 102 | Q | 98 | Very high | 98 | Very high | 107 Ų | 107 | 107.5 Ų | 107.5 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 179.2 | -73.5 | -177.7 | -33 | 0 | 0 | 112.2 | K98 M99 E100 Q105 L106 | K98-Q102 WeakPolarHBondContact O-CB 3.5Å; K98-Q102 VanDerWaalsContact O-CG 3.32Å; K98-Q102 WeakPolarHBondContact O-CG 3.45Å; K98-Q102 PolarHBondContact O-N 3.11Å; M99-Q102 PolarHBondContact O-N 2.72Å; M99-Q102 VanDerWaalsContact O-N 3.16Å; E100-Q102 VanDerWaalsContact C-N 3.34Å; E100-Q102 PolarHBondContact O-N 3.11Å; Q102-Q105 PolarHBondContact O-N 3.22Å; Q102-L106 VanDerWaalsContact O-CB 3.28Å; Q102-L106 WeakPolarHBondContact O-CB 3.41Å; Q102-L106 PolarHBondContact O-N 2.96Å |
| 103 | E | 98.1 | Very high | 98.1 | Very high | 113 Ų | 113 | 107.4 Ų | 107.4 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 174.6 | -76.6 | -175.8 | 179.7 | 0 | 0 | 112.1 | M99 E100 I101 L106 K107 | M99-E103 WeakPolarHBondContact O-CG 3.42Å; M99-E103 PolarHBondContact O-N 3.32Å; E100-E103 PolarHBondContact O-N 2.99Å; I101-E103 VanDerWaalsContact C-N 3.35Å; E103-L106 PolarHBondContact O-N 2.93Å; E103-K107 WeakPolarHBondContact O-CB 3.4Å; E103-K107 PolarHBondContact O-N 3.4Å |
| 104 | L | 98.2 | Very high | 98.1 | Very high | 121 Ų | 121 | 107.4 Ų | 107.4 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -47.3 | 175.1 | -72.1 | 173.5 | 0 | 0 | 0 | 111.5 | E100 I101 L106 K107 E108 | E100-L104 WeakPolarHBondContact O-CG 3.36Å; E100-L104 PolarHBondContact O-N 3.15Å; I101-L104 PolarHBondContact O-N 2.91Å; L104-L106 VanDerWaalsContact C-N 3.32Å; L104-L106 PolarHBondContact O-N 3.42Å; L104-K107 WeakPolarHBondContact O-CB 3.45Å; L104-K107 PolarHBondContact O-N 2.94Å; L104-E108 PolarHBondContact O-N 2.93Å |
| 105 | Q | 98.1 | Very high | 98.1 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 176.5 | -73.5 | 178.5 | -16.2 | 0 | 0 | 112.1 | I101 Q102 K107 E108 A109 | I101-Q105 WeakPolarHBondContact O-CG 3.45Å; I101-Q105 PolarHBondContact O-N 3.23Å; Q102-Q105 PolarHBondContact O-N 3.22Å; Q105-K107 VanDerWaalsContact C-N 3.33Å; Q105-K107 PolarHBondContact O-N 3Å; Q105-E108 PolarHBondContact O-N 2.86Å; Q105-A109 WeakPolarHBondContact O-CB 3.46Å; Q105-A109 PolarHBondContact O-N 3.31Å |
| 106 | L | 98.2 | Very high | 98.1 | Very high | 97 Ų | 97 | 101.9 Ų | 101.9 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 176.5 | 179.1 | 62.9 | 0 | 0 | 0 | 111.4 | Q102 E103 L104 A109 K110 | Q102-L106 VanDerWaalsContact O-CB 3.28Å; Q102-L106 WeakPolarHBondContact O-CB 3.41Å; Q102-L106 PolarHBondContact O-N 2.96Å; E103-L106 PolarHBondContact O-N 2.93Å; L104-L106 VanDerWaalsContact C-N 3.32Å; L104-L106 PolarHBondContact O-N 3.42Å; L106-A109 PolarHBondContact O-N 3.08Å; L106-K110 HydrophobicContact CG-CD 4.45Å; L106-K110 WeakPolarHBondContact O-CB 3.46Å; L106-K110 VanDerWaalsContact O-CG 3.31Å; L106-K110 WeakPolarHBondContact O-CG 3.44Å; L106-K110 PolarHBondContact O-N 3.06Å |
| 107 | K | 98.4 | Very high | 98.1 | Very high | 156 Ų | 156 | 101.2 Ų | 101.2 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -42.8 | 177.6 | -171.4 | 179.1 | 179.9 | -178.6 | 0 | 111.6 | E103 L104 Q105 K110 H111 | E103-K107 WeakPolarHBondContact O-CB 3.4Å; E103-K107 PolarHBondContact O-N 3.4Å; L104-K107 WeakPolarHBondContact O-CB 3.45Å; L104-K107 PolarHBondContact O-N 2.94Å; Q105-K107 VanDerWaalsContact C-N 3.33Å; Q105-K107 PolarHBondContact O-N 3Å; K107-K110 PolarHBondContact O-N 2.98Å; K107-H111 PolarHBondContact O-N 2.59Å |
| 108 | E | 98 | Very high | 98.2 | Very high | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -47.5 | 175.7 | -172.7 | 178 | 179.9 | 0 | 0 | 111.5 | L104 Q105 K110 H111 I112 | L104-E108 PolarHBondContact O-N 2.93Å; Q105-E108 PolarHBondContact O-N 2.86Å; E108-K110 VanDerWaalsContact C-N 3.3Å; E108-K110 PolarHBondContact O-N 3.3Å; E108-H111 PolarHBondContact O-N 3.12Å; E108-H111 VanDerWaalsContact O-N 3.13Å; E108-I112 HydrophobicContact CG-CD1 4.05Å; E108-I112 WeakPolarHBondContact O-CG1 3.45Å; E108-I112 PolarHBondContact O-N 2.96Å |
| 109 | A | 98.1 | Very high | 98.2 | Very high | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q105 L106 I112 A113 | Q105-A109 WeakPolarHBondContact O-CB 3.46Å; Q105-A109 PolarHBondContact O-N 3.31Å; L106-A109 PolarHBondContact O-N 3.08Å; A109-I112 PolarHBondContact O-N 3.28Å; A109-A113 WeakPolarHBondContact O-CB 3.45Å; A109-A113 PolarHBondContact O-N 3.4Å |
| 110 | K | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 107.6 Ų | 107.6 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174 | -77.5 | 177.3 | 177.5 | -179.1 | 0 | 112 | L106 K107 E108 I112 A113 E114 | L106-K110 HydrophobicContact CG-CD 4.45Å; L106-K110 WeakPolarHBondContact O-CB 3.46Å; L106-K110 VanDerWaalsContact O-CG 3.31Å; L106-K110 WeakPolarHBondContact O-CG 3.44Å; L106-K110 PolarHBondContact O-N 3.06Å; K107-K110 PolarHBondContact O-N 2.98Å; E108-K110 VanDerWaalsContact C-N 3.3Å; E108-K110 PolarHBondContact O-N 3.3Å; K110-I112 VanDerWaalsContact C-N 3.34Å; K110-I112 PolarHBondContact O-N 3.04Å; K110-A113 PolarHBondContact O-N 2.97Å; K110-E114 WeakPolarHBondContact O-CG 3.42Å; K110-E114 PolarHBondContact O-N 2.86Å |
| 111 | H | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 107.5 Ų | 107.5 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.5 | -170.3 | -89 | 0 | 0 | 0 | 111.9 | K107 E108 A113 E114 E115 | K107-H111 PolarHBondContact O-N 2.59Å; E108-H111 PolarHBondContact O-N 3.12Å; E108-H111 VanDerWaalsContact O-N 3.13Å; H111-A113 VanDerWaalsContact C-N 3.35Å; H111-A113 PolarHBondContact O-N 3.5Å; H111-E114 PolarHBondContact O-N 3.31Å; H111-E115 IonicContact CE1-OE1 2.65Å; H111-E115 PolarHBondContact CE1-OE1 3.25Å; H111-E115 IonicContact ND1-OE1 3.05Å; H111-E115 WeakPolarHBondContact O-CG 3.48Å; H111-E115 PolarHBondContact O-N 3.3Å |
| 112 | I | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 107.8 Ų | 107.8 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176 | -67.2 | 168.2 | 0 | 0 | 0 | 110.9 | E108 A109 K110 E115 A116 | E108-I112 HydrophobicContact CG-CD1 4.05Å; E108-I112 WeakPolarHBondContact O-CG1 3.45Å; E108-I112 PolarHBondContact O-N 2.96Å; A109-I112 PolarHBondContact O-N 3.28Å; K110-I112 VanDerWaalsContact C-N 3.34Å; K110-I112 PolarHBondContact O-N 3.04Å; I112-E115 PolarHBondContact O-N 2.89Å; I112-A116 WeakPolarHBondContact O-CB 3.32Å; I112-A116 PolarHBondContact O-N 2.85Å |
| 113 | A | 98.3 | Very high | 98.2 | Very high | 49 Ų | 49 | 107.1 Ų | 107.1 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A109 K110 H111 E115 A116 D117 | A109-A113 WeakPolarHBondContact O-CB 3.45Å; A109-A113 PolarHBondContact O-N 3.4Å; K110-A113 PolarHBondContact O-N 2.97Å; H111-A113 VanDerWaalsContact C-N 3.35Å; H111-A113 PolarHBondContact O-N 3.5Å; A113-E115 PolarHBondContact O-N 3.03Å; A113-A116 WeakPolarHBondContact O-CB 3.41Å; A113-A116 PolarHBondContact O-N 3.31Å; A113-D117 PolarHBondContact O-N 3.25Å |
| 114 | E | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 104.2 Ų | 104.2 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 177.5 | -72.8 | 175.9 | -161.5 | 0 | 0 | 112.7 | K110 H111 D117 R118 | K110-E114 WeakPolarHBondContact O-CG 3.42Å; K110-E114 PolarHBondContact O-N 2.86Å; H111-E114 PolarHBondContact O-N 3.31Å; E114-D117 PolarHBondContact O-N 3.34Å; E114-R118 WeakPolarHBondContact O-CG 3.46Å; E114-R118 PolarHBondContact O-N 2.85Å |
| 115 | E | 98.2 | Very high | 98.2 | Very high | 86 Ų | 86 | 106.4 Ų | 106.4 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 174.1 | -78.4 | -166.2 | 171.6 | 0 | 0 | 112.4 | H111 I112 A113 K119 | H111-E115 IonicContact CE1-OE1 2.65Å; H111-E115 PolarHBondContact CE1-OE1 3.25Å; H111-E115 IonicContact ND1-OE1 3.05Å; H111-E115 WeakPolarHBondContact O-CG 3.48Å; H111-E115 PolarHBondContact O-N 3.3Å; I112-E115 PolarHBondContact O-N 2.89Å; A113-E115 PolarHBondContact O-N 3.03Å; E115-K119 WeakPolarHBondContact O-CG 3.37Å; E115-K119 PolarHBondContact O-N 3.41Å; E115-K119 VanDerWaalsContact O-N 3.08Å |
| 116 | A | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 106 Ų | 106 | 29% | 0.289 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | I112 A113 R118 K119 Y120 | I112-A116 WeakPolarHBondContact O-CB 3.32Å; I112-A116 PolarHBondContact O-N 2.85Å; A113-A116 WeakPolarHBondContact O-CB 3.41Å; A113-A116 PolarHBondContact O-N 3.31Å; A116-R118 VanDerWaalsContact C-N 3.33Å; A116-R118 PolarHBondContact O-N 3.5Å; A116-K119 PolarHBondContact O-N 2.96Å; A116-K119 VanDerWaalsContact O-N 3.11Å; A116-Y120 HydrophobicContact CB-CD2 4.39Å; A116-Y120 HydrophobicContact CB-CE2 4.33Å; A116-Y120 WeakPolarHBondContact O-CD2 3.49Å; A116-Y120 PolarHBondContact O-N 3.19Å |
| 117 | D | 98.2 | Very high | 98.2 | Very high | 98 Ų | 98 | 105.8 Ų | 105.8 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 178.2 | -73 | -20.1 | 0 | 0 | 0 | 111.7 | A113 E114 K119 Y120 E121 | A113-D117 PolarHBondContact O-N 3.25Å; E114-D117 PolarHBondContact O-N 3.34Å; D117-K119 PolarHBondContact O-N 3.45Å; D117-Y120 PolarHBondContact O-N 3.47Å; D117-E121 PolarHBondContact O-N 3.03Å |
| 118 | R | 98.3 | Very high | 98.2 | Very high | 169 Ų | 169 | 102.9 Ų | 102.9 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 174.8 | -73 | 178.3 | -161.9 | -175.3 | 9.6 | 112.5 | E114 A116 E121 E122 | E114-R118 WeakPolarHBondContact O-CG 3.46Å; E114-R118 PolarHBondContact O-N 2.85Å; A116-R118 VanDerWaalsContact C-N 3.33Å; A116-R118 PolarHBondContact O-N 3.5Å; R118-E121 PolarHBondContact O-N 3.12Å; R118-E122 PolarHBondContact O-N 3.12Å |
| 119 | K | 98.3 | Very high | 98.2 | Very high | 128 Ų | 128 | 102 Ų | 102 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -40.9 | 176.6 | -72.5 | 171.6 | -173.2 | 166.4 | 0 | 111.2 | E115 A116 D117 E122 V123 | E115-K119 WeakPolarHBondContact O-CG 3.37Å; E115-K119 PolarHBondContact O-N 3.41Å; E115-K119 VanDerWaalsContact O-N 3.08Å; A116-K119 PolarHBondContact O-N 2.96Å; A116-K119 VanDerWaalsContact O-N 3.11Å; D117-K119 PolarHBondContact O-N 3.45Å; K119-E122 PolarHBondContact O-N 3.46Å; K119-V123 VanDerWaalsContact O-CG2 3.26Å; K119-V123 WeakPolarHBondContact O-CG2 3.49Å; K119-V123 PolarHBondContact O-N 3.01Å |
| 120 | Y | 98.2 | Very high | 98.2 | Very high | 171 Ų | 171 | 104.6 Ų | 104.6 | 67% | 0.671 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 176 | -83 | -65.1 | 0 | 0 | 0 | 111.6 | A116 D117 E122 V123 A124 | A116-Y120 HydrophobicContact CB-CD2 4.39Å; A116-Y120 HydrophobicContact CB-CE2 4.33Å; A116-Y120 WeakPolarHBondContact O-CD2 3.49Å; A116-Y120 PolarHBondContact O-N 3.19Å; D117-Y120 PolarHBondContact O-N 3.47Å; Y120-E122 PolarHBondContact O-N 2.89Å; Y120-V123 PolarHBondContact O-N 3.38Å; Y120-A124 VanDerWaalsContact O-CB 3.32Å; Y120-A124 WeakPolarHBondContact O-CB 3.32Å; Y120-A124 PolarHBondContact O-N 3.3Å |
| 121 | E | 98.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 104 Ų | 104 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 175.5 | -76.6 | -169.3 | -163.5 | 0 | 0 | 112.6 | D117 R118 A124 R125 | D117-E121 PolarHBondContact O-N 3.03Å; R118-E121 PolarHBondContact O-N 3.12Å; E121-A124 PolarHBondContact O-N 2.89Å; E121-R125 VanDerWaalsContact O-CG 3.31Å; E121-R125 WeakPolarHBondContact O-CG 3.44Å; E121-R125 PolarHBondContact O-N 3.47Å; E121-R125 IonicContact OE2-NH2 2.59Å; E121-R125 PolarHBondContact OE2-NH2 3.43Å; E121-R125 VanDerWaalsContact OE2-NH2 3.12Å |
| 122 | E | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 100.3 Ų | 100.3 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 178.6 | -169.9 | -172.7 | 155.6 | 0 | 0 | 111.5 | R118 K119 Y120 R125 K126 | R118-E122 PolarHBondContact O-N 3.12Å; K119-E122 PolarHBondContact O-N 3.46Å; Y120-E122 PolarHBondContact O-N 2.89Å; E122-R125 PolarHBondContact O-N 3.4Å; E122-K126 WeakPolarHBondContact O-CG 3.31Å; E122-K126 PolarHBondContact O-N 3.08Å; E122-K126 VanDerWaalsContact OE1-CE 3.28Å; E122-K126 WeakPolarHBondContact OE1-CE 3.28Å; E122-K126 IonicContact OE1-NZ 3.12Å; E122-K126 PolarHBondContact OE1-NZ 3.38Å |
| 123 | V | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | K119 Y120 R125 K126 L127 | K119-V123 VanDerWaalsContact O-CG2 3.26Å; K119-V123 WeakPolarHBondContact O-CG2 3.49Å; K119-V123 PolarHBondContact O-N 3.01Å; Y120-V123 PolarHBondContact O-N 3.38Å; V123-R125 PolarHBondContact O-N 2.88Å; V123-K126 PolarHBondContact O-N 3.11Å; V123-L127 WeakPolarHBondContact O-CB 3.26Å; V123-L127 PolarHBondContact O-N 3.24Å |
| 124 | A | 98.1 | Very high | 98.2 | Very high | 52 Ų | 52 | 101.4 Ų | 101.4 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y120 E121 L127 V128 | Y120-A124 VanDerWaalsContact O-CB 3.32Å; Y120-A124 WeakPolarHBondContact O-CB 3.32Å; Y120-A124 PolarHBondContact O-N 3.3Å; E121-A124 PolarHBondContact O-N 2.89Å; A124-L127 WeakPolarHBondContact O-CB 3.46Å; A124-L127 PolarHBondContact O-N 3.34Å; A124-V128 WeakPolarHBondContact O-CG2 3.32Å; A124-V128 PolarHBondContact O-N 3.06Å |
| 125 | R | 98.3 | Very high | 98.3 | Very high | 167 Ų | 167 | 102.5 Ų | 102.5 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 175.6 | -70.2 | 177.6 | -155.1 | -146.6 | 7.6 | 112.2 | E121 E122 V123 L127 V128 I129 | E121-R125 VanDerWaalsContact O-CG 3.31Å; E121-R125 WeakPolarHBondContact O-CG 3.44Å; E121-R125 PolarHBondContact O-N 3.47Å; E121-R125 IonicContact OE2-NH2 2.59Å; E121-R125 PolarHBondContact OE2-NH2 3.43Å; E121-R125 VanDerWaalsContact OE2-NH2 3.12Å; E122-R125 PolarHBondContact O-N 3.4Å; V123-R125 PolarHBondContact O-N 2.88Å; R125-L127 VanDerWaalsContact C-N 3.31Å; R125-L127 PolarHBondContact O-N 3.49Å; R125-V128 PolarHBondContact O-N 3.02Å; R125-I129 WeakPolarHBondContact O-CG1 3.45Å; R125-I129 PolarHBondContact O-N 2.65Å |
| 126 | K | 98.4 | Very high | 98.3 | Very high | 111 Ų | 111 | 105.7 Ų | 105.7 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 176 | -75.6 | 176 | -175.8 | 167.6 | 0 | 111.9 | E122 V123 I129 L130 | E122-K126 WeakPolarHBondContact O-CG 3.31Å; E122-K126 PolarHBondContact O-N 3.08Å; E122-K126 VanDerWaalsContact OE1-CE 3.28Å; E122-K126 WeakPolarHBondContact OE1-CE 3.28Å; E122-K126 IonicContact OE1-NZ 3.12Å; E122-K126 PolarHBondContact OE1-NZ 3.38Å; V123-K126 PolarHBondContact O-N 3.11Å; K126-I129 PolarHBondContact O-N 2.89Å; K126-L130 PolarHBondContact O-N 2.84Å |
| 127 | L | 97.9 | Very high | 98.3 | Very high | 91 Ų | 91 | 106.8 Ų | 106.8 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 178.8 | -172.9 | 66.4 | 0 | 0 | 0 | 111.2 | V123 A124 R125 I129 L130 E131 | V123-L127 WeakPolarHBondContact O-CB 3.26Å; V123-L127 PolarHBondContact O-N 3.24Å; A124-L127 WeakPolarHBondContact O-CB 3.46Å; A124-L127 PolarHBondContact O-N 3.34Å; R125-L127 VanDerWaalsContact C-N 3.31Å; R125-L127 PolarHBondContact O-N 3.49Å; L127-I129 VanDerWaalsContact C-N 3.29Å; L127-I129 PolarHBondContact O-N 3.17Å; L127-L130 PolarHBondContact O-N 3.43Å; L127-L130 VanDerWaalsContact O-N 3.12Å; L127-E131 HydrophobicContact CG-CG 4.45Å; L127-E131 WeakPolarHBondContact O-CG 3.43Å; L127-E131 PolarHBondContact O-N 2.93Å |
| 128 | V | 98.6 | Very high | 98.3 | Very high | 96 Ų | 96 | 107 Ų | 107 | 58% | 0.582 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.1 | -39.6 | 178 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | A124 R125 G132 | A124-V128 WeakPolarHBondContact O-CG2 3.32Å; A124-V128 PolarHBondContact O-N 3.06Å; R125-V128 PolarHBondContact O-N 3.02Å; V128-G132 PolarHBondContact O-N 2.91Å; V128-G132 VanDerWaalsContact O-N 3.12Å |
| 129 | I | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 104.1 Ų | 104.1 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 176.9 | -64.3 | 169.4 | 0 | 0 | 0 | 110.4 | R125 K126 L127 E131 G132 D133 | R125-I129 WeakPolarHBondContact O-CG1 3.45Å; R125-I129 PolarHBondContact O-N 2.65Å; K126-I129 PolarHBondContact O-N 2.89Å; L127-I129 VanDerWaalsContact C-N 3.29Å; L127-I129 PolarHBondContact O-N 3.17Å; I129-E131 PolarHBondContact O-N 3.43Å; I129-G132 PolarHBondContact O-N 3.25Å; I129-D133 PolarHBondContact O-N 3.46Å |
| 130 | L | 98.3 | Very high | 98.3 | Very high | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 179 | -77 | 169.2 | 0 | 0 | 0 | 112.4 | K126 L127 G132 D133 L134 | K126-L130 PolarHBondContact O-N 2.84Å; L127-L130 PolarHBondContact O-N 3.43Å; L127-L130 VanDerWaalsContact O-N 3.12Å; L130-G132 VanDerWaalsContact C-N 3.35Å; L130-D133 PolarHBondContact O-N 2.99Å; L130-L134 VanDerWaalsContact O-CB 3.32Å; L130-L134 WeakPolarHBondContact O-CB 3.09Å; L130-L134 PolarHBondContact O-N 3.37Å |
| 131 | E | 97.9 | Very high | 98.3 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174 | -73.5 | 172.1 | 164.9 | 0 | 0 | 110.9 | L127 I129 L134 E135 | L127-E131 HydrophobicContact CG-CG 4.45Å; L127-E131 WeakPolarHBondContact O-CG 3.43Å; L127-E131 PolarHBondContact O-N 2.93Å; I129-E131 PolarHBondContact O-N 3.43Å; E131-L134 PolarHBondContact O-N 3.45Å; E131-E135 PolarHBondContact O-N 2.96Å |
| 132 | G | 98.5 | Very high | 98.3 | Very high | 24 Ų | 24 | 102.9 Ų | 102.9 | 25% | 0.247 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -72 | -25.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V128 I129 L130 R136 | V128-G132 PolarHBondContact O-N 2.91Å; V128-G132 VanDerWaalsContact O-N 3.12Å; I129-G132 PolarHBondContact O-N 3.25Å; L130-G132 VanDerWaalsContact C-N 3.35Å; G132-R136 WeakPolarHBondContact O-CG 3.38Å; G132-R136 PolarHBondContact O-NE 3.49Å |
| 133 | D | 98.4 | Very high | 98.3 | Very high | 75 Ų | 75 | 103.9 Ų | 103.9 | 40% | 0.401 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 169.8 | -77.6 | -25.6 | 0 | 0 | 0 | 111.3 | I129 L130 R136 A137 | I129-D133 PolarHBondContact O-N 3.46Å; L130-D133 PolarHBondContact O-N 2.99Å; D133-R136 IonicContact OD1-CZ 2.68Å; D133-R136 IonicContact OD1-NH2 3.43Å; D133-R136 PolarHBondContact OD1-NH2 2.98Å; D133-A137 WeakPolarHBondContact O-CB 3.31Å; D133-A137 PolarHBondContact O-N 3.5Å |
| 134 | L | 98.3 | Very high | 98.3 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -50 | 177.2 | 178.8 | 63.7 | 0 | 0 | 0 | 111.1 | L130 E131 R136 A137 E138 | L130-L134 VanDerWaalsContact O-CB 3.32Å; L130-L134 WeakPolarHBondContact O-CB 3.09Å; L130-L134 PolarHBondContact O-N 3.37Å; E131-L134 PolarHBondContact O-N 3.45Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.19Å; L134-A137 CarbonylContact O-C 3.6Å; L134-A137 WeakPolarHBondContact O-CA 3.49Å; L134-A137 WeakPolarHBondContact O-CB 3.46Å; L134-A137 PolarHBondContact O-N 3.13Å; L134-E138 HydrophobicContact CD1-CG 4.26Å; L134-E138 HydrophobicContact CG-CG 4.42Å; L134-E138 WeakPolarHBondContact O-CG 3.35Å; L134-E138 PolarHBondContact O-N 3.5Å |
| 135 | E | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 106.4 Ų | 106.4 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56 | -44.8 | 178.8 | -173.3 | 176 | -160.8 | 0 | 0 | 111.2 | E131 A137 E138 E139 | E131-E135 PolarHBondContact O-N 2.96Å; E135-A137 VanDerWaalsContact C-N 3.33Å; E135-A137 PolarHBondContact O-N 3.05Å; E135-E138 PolarHBondContact O-N 2.96Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 3.35Å |
| 136 | R | 98.5 | Very high | 98.3 | Very high | 153 Ų | 153 | 103.7 Ų | 103.7 | 58% | 0.577 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -33.9 | 175.4 | -75.6 | -177.5 | -73.9 | 170.4 | -5.9 | 113.6 | G132 D133 L134 R140 | G132-R136 WeakPolarHBondContact O-CG 3.38Å; G132-R136 PolarHBondContact O-NE 3.49Å; D133-R136 IonicContact OD1-CZ 2.68Å; D133-R136 IonicContact OD1-NH2 3.43Å; D133-R136 PolarHBondContact OD1-NH2 2.98Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.19Å; R136-R140 WeakPolarHBondContact O-CB 3.28Å; R136-R140 PolarHBondContact O-N 3.44Å |
| 137 | A | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D133 L134 E135 R140 A141 | D133-A137 WeakPolarHBondContact O-CB 3.31Å; D133-A137 PolarHBondContact O-N 3.5Å; L134-A137 CarbonylContact O-C 3.6Å; L134-A137 WeakPolarHBondContact O-CA 3.49Å; L134-A137 WeakPolarHBondContact O-CB 3.46Å; L134-A137 PolarHBondContact O-N 3.13Å; E135-A137 VanDerWaalsContact C-N 3.33Å; E135-A137 PolarHBondContact O-N 3.05Å; A137-R140 PolarHBondContact O-N 2.9Å; A137-A141 WeakPolarHBondContact O-CB 3.47Å; A137-A141 PolarHBondContact O-N 2.96Å |
| 138 | E | 98.2 | Very high | 98.3 | Very high | 104 Ų | 104 | 103.7 Ų | 103.7 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -51.2 | 175.4 | -71.8 | 176.3 | 161.6 | 0 | 0 | 111 | L134 E135 R140 A141 E142 | L134-E138 HydrophobicContact CD1-CG 4.26Å; L134-E138 HydrophobicContact CG-CG 4.42Å; L134-E138 WeakPolarHBondContact O-CG 3.35Å; L134-E138 PolarHBondContact O-N 3.5Å; E135-E138 PolarHBondContact O-N 2.96Å; E138-R140 PolarHBondContact O-N 2.95Å; E138-A141 WeakPolarHBondContact O-CB 3.46Å; E138-A141 PolarHBondContact O-N 3.39Å; E138-E142 PolarHBondContact O-N 3.04Å |
| 139 | E | 98.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55 | -41.5 | 175.4 | -72.5 | -179.1 | 166.4 | 0 | 0 | 112.1 | E135 L143 | E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 3.35Å; E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 3.04Å; E139-L143 VanDerWaalsContact O-N 3.11Å |
| 140 | R | 98.3 | Very high | 98.2 | Very high | 198 Ų | 198 | 101.2 Ų | 101.2 | 75% | 0.747 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 177.7 | -178.9 | 178.1 | 169.8 | -173.7 | -3.6 | 112.2 | R136 A137 E138 A144 | R136-R140 WeakPolarHBondContact O-CB 3.28Å; R136-R140 PolarHBondContact O-N 3.44Å; A137-R140 PolarHBondContact O-N 2.9Å; E138-R140 PolarHBondContact O-N 2.95Å; R140-A144 WeakPolarHBondContact O-CB 3.38Å; R140-A144 PolarHBondContact O-N 3.42Å; R140-A144 VanDerWaalsContact O-N 3.08Å |
| 141 | A | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 100.3 Ų | 100.3 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A137 E138 L143 A144 E145 | A137-A141 WeakPolarHBondContact O-CB 3.47Å; A137-A141 PolarHBondContact O-N 2.96Å; E138-A141 WeakPolarHBondContact O-CB 3.46Å; E138-A141 PolarHBondContact O-N 3.39Å; A141-L143 VanDerWaalsContact C-N 3.35Å; A141-L143 PolarHBondContact O-N 3.37Å; A141-A144 WeakPolarHBondContact O-CB 3.41Å; A141-A144 PolarHBondContact O-N 3.4Å; A141-E145 WeakPolarHBondContact O-CG 3.49Å; A141-E145 PolarHBondContact O-N 2.87Å |
| 142 | E | 98.2 | Very high | 98.2 | Very high | 135 Ų | 135 | 101.3 Ų | 101.3 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.7 | -45.2 | 176.7 | -70.4 | -176.5 | 173.9 | 0 | 0 | 112.1 | E138 A144 E145 L146 | E138-E142 PolarHBondContact O-N 3.04Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.16Å; E142-E145 PolarHBondContact O-N 2.85Å; E142-L146 PolarHBondContact O-N 3.32Å |
| 143 | L | 98.3 | Very high | 98.2 | Very high | 124 Ų | 124 | 105.9 Ų | 105.9 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -37.4 | 175.5 | -73.2 | 172.8 | 0 | 0 | 0 | 112.6 | E139 A141 K147 | E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 3.04Å; E139-L143 VanDerWaalsContact O-N 3.11Å; A141-L143 VanDerWaalsContact C-N 3.35Å; A141-L143 PolarHBondContact O-N 3.37Å; L143-K147 WeakPolarHBondContact O-CB 3.36Å; L143-K147 PolarHBondContact O-N 3.38Å; L143-K147 VanDerWaalsContact O-N 3.15Å |
| 144 | A | 98 | Very high | 98.1 | Very high | 59 Ų | 59 | 108 Ų | 108 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R140 A141 E142 K147 C148 | R140-A144 WeakPolarHBondContact O-CB 3.38Å; R140-A144 PolarHBondContact O-N 3.42Å; R140-A144 VanDerWaalsContact O-N 3.08Å; A141-A144 WeakPolarHBondContact O-CB 3.41Å; A141-A144 PolarHBondContact O-N 3.4Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.16Å; A144-K147 PolarHBondContact O-N 3.49Å; A144-C148 WeakPolarHBondContact O-CB 3.36Å; A144-C148 PolarHBondContact O-N 2.97Å |
| 145 | E | 98.3 | Very high | 98.1 | Very high | 139 Ų | 139 | 108.8 Ų | 108.8 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 175.4 | -74.4 | -176.6 | 173.1 | 0 | 0 | 111.6 | A141 E142 K147 C148 S149 | A141-E145 WeakPolarHBondContact O-CG 3.49Å; A141-E145 PolarHBondContact O-N 2.87Å; E142-E145 PolarHBondContact O-N 2.85Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.97Å; E145-C148 WeakPolarHBondContact O-CB 3.32Å; E145-C148 PolarHBondContact O-N 3.07Å; E145-C148 VanDerWaalsContact O-N 3.15Å; E145-S149 PolarHBondContact O-N 3.27Å |
| 146 | L | 98.3 | Very high | 98.1 | Very high | 110 Ų | 110 | 109.8 Ų | 109.8 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.2 | -47.8 | 176 | -170.8 | 119.3 | 0 | 0 | 0 | 111.1 | E142 C148 S149 D150 | E142-L146 PolarHBondContact O-N 3.32Å; L146-C148 VanDerWaalsContact C-N 3.3Å; L146-C148 PolarHBondContact O-N 3.47Å; L146-S149 WeakPolarHBondContact O-CB 3.36Å; L146-S149 PolarHBondContact O-N 3Å; L146-D150 PolarHBondContact O-N 3.01Å |
| 147 | K | 98.3 | Very high | 98.1 | Very high | 138 Ų | 138 | 106.3 Ų | 106.3 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 177.3 | -172.7 | 172.1 | -176.6 | 176.2 | 0 | 112.8 | L143 A144 E145 L151 | L143-K147 WeakPolarHBondContact O-CB 3.36Å; L143-K147 PolarHBondContact O-N 3.38Å; L143-K147 VanDerWaalsContact O-N 3.15Å; A144-K147 PolarHBondContact O-N 3.49Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.97Å; K147-L151 HydrophobicContact CG-CD1 4.26Å; K147-L151 WeakPolarHBondContact O-CB 3.4Å; K147-L151 VanDerWaalsContact O-CG 3.3Å; K147-L151 WeakPolarHBondContact O-CG 3.45Å; K147-L151 PolarHBondContact O-N 3.46Å; K147-L151 VanDerWaalsContact O-N 3.11Å |
| 148 | C | 97.9 | Very high | 98 | Very high | 64 Ų | 64 | 107.9 Ų | 107.9 | 43% | 0.432 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.7 | -164.7 | 0 | 0 | 0 | 0 | 110.8 | A144 E145 L146 D150 L151 E152 | A144-C148 WeakPolarHBondContact O-CB 3.36Å; A144-C148 PolarHBondContact O-N 2.97Å; E145-C148 WeakPolarHBondContact O-CB 3.32Å; E145-C148 PolarHBondContact O-N 3.07Å; E145-C148 VanDerWaalsContact O-N 3.15Å; L146-C148 VanDerWaalsContact C-N 3.3Å; L146-C148 PolarHBondContact O-N 3.47Å; C148-D150 PolarHBondContact O-N 3.37Å; C148-L151 PolarHBondContact O-N 2.89Å; C148-E152 WeakPolarHBondContact O-CG 3.33Å; C148-E152 PolarHBondContact O-N 3.25Å |
| 149 | S | 98.2 | Very high | 98 | Very high | 67 Ų | 67 | 105.7 Ų | 105.7 | 47% | 0.469 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 112 | E145 L146 L151 E152 E153 | E145-S149 PolarHBondContact O-N 3.27Å; L146-S149 WeakPolarHBondContact O-CB 3.36Å; L146-S149 PolarHBondContact O-N 3Å; S149-L151 PolarHBondContact O-N 3.43Å; S149-E152 PolarHBondContact O-N 2.95Å; S149-E153 PolarHBondContact O-N 3.16Å |
| 150 | D | 97.9 | Very high | 98 | Very high | 85 Ų | 85 | 104.4 Ų | 104.4 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 178.3 | -68.3 | -19.5 | 0 | 0 | 0 | 111.5 | L146 C148 E152 E153 E154 | L146-D150 PolarHBondContact O-N 3.01Å; C148-D150 PolarHBondContact O-N 3.37Å; D150-E152 PolarHBondContact O-N 3.42Å; D150-E153 PolarHBondContact O-N 3.06Å; D150-E154 PolarHBondContact O-N 2.89Å |
| 151 | L | 97.6 | Very high | 98 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 178.4 | -72 | 172.6 | 0 | 0 | 0 | 112.6 | K147 C148 S149 E153 E154 L155 | K147-L151 HydrophobicContact CG-CD1 4.26Å; K147-L151 WeakPolarHBondContact O-CB 3.4Å; K147-L151 VanDerWaalsContact O-CG 3.3Å; K147-L151 WeakPolarHBondContact O-CG 3.45Å; K147-L151 PolarHBondContact O-N 3.46Å; K147-L151 VanDerWaalsContact O-N 3.11Å; C148-L151 PolarHBondContact O-N 2.89Å; S149-L151 PolarHBondContact O-N 3.43Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-E154 PolarHBondContact O-N 3.11Å; L151-L155 VanDerWaalsContact O-CB 3.28Å; L151-L155 WeakPolarHBondContact O-CB 3.5Å; L151-L155 PolarHBondContact O-N 3.43Å |
| 152 | E | 97.8 | Very high | 97.9 | Very high | 128 Ų | 128 | 102.2 Ų | 102.2 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -40.3 | 174 | -78 | -180 | -176.8 | 0 | 0 | 111.7 | C148 S149 D150 L155 K156 | C148-E152 WeakPolarHBondContact O-CG 3.33Å; C148-E152 PolarHBondContact O-N 3.25Å; S149-E152 PolarHBondContact O-N 2.95Å; D150-E152 PolarHBondContact O-N 3.42Å; E152-L155 PolarHBondContact O-N 3.41Å; E152-K156 WeakPolarHBondContact O-CB 3.31Å; E152-K156 PolarHBondContact O-N 3.18Å |
| 153 | E | 97.9 | Very high | 97.9 | Very high | 119 Ų | 119 | 101.9 Ų | 101.9 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -45.1 | 175.8 | -172.8 | 170.1 | -175 | 0 | 0 | 111.8 | S149 D150 L151 L155 K156 N157 | S149-E153 PolarHBondContact O-N 3.16Å; D150-E153 PolarHBondContact O-N 3.06Å; L151-E153 VanDerWaalsContact C-N 3.34Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.88Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.48Å; E153-N157 PolarHBondContact O-N 3.26Å; E153-N157 PolarHBondContact O-ND2 3.39Å |
| 154 | E | 97.6 | Very high | 97.8 | Very high | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.5 | -45.3 | 174 | -75.3 | -171 | 166.8 | 0 | 0 | 111.8 | D150 L151 K156 N157 V158 | D150-E154 PolarHBondContact O-N 2.89Å; L151-E154 PolarHBondContact O-N 3.11Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 2.85Å; E154-N157 WeakPolarHBondContact O-CB 3.43Å; E154-N157 PolarHBondContact O-N 3.21Å; E154-N157 VanDerWaalsContact O-N 3.13Å; E154-V158 WeakPolarHBondContact O-CG2 3.4Å; E154-V158 PolarHBondContact O-N 2.96Å |
| 155 | L | 97.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 178.5 | -177.1 | 64.8 | 0 | 0 | 0 | 111.6 | L151 E152 E153 N157 V158 T159 | L151-L155 VanDerWaalsContact O-CB 3.28Å; L151-L155 WeakPolarHBondContact O-CB 3.5Å; L151-L155 PolarHBondContact O-N 3.43Å; E152-L155 PolarHBondContact O-N 3.41Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.88Å; L155-N157 VanDerWaalsContact C-N 3.34Å; L155-V158 PolarHBondContact O-N 3.07Å; L155-T159 VanDerWaalsContact O-CB 3.29Å; L155-T159 WeakPolarHBondContact O-CB 3.36Å; L155-T159 PolarHBondContact O-N 3.36Å; L155-T159 PolarHBondContact O-OG1 3.18Å |
| 156 | K | 98.1 | Very high | 97.6 | Very high | 140 Ų | 140 | 99.4 Ų | 99.4 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 175.2 | -174.3 | -179.5 | 178.3 | -176.5 | 0 | 111.3 | E152 E153 E154 T159 N160 | E152-K156 WeakPolarHBondContact O-CB 3.31Å; E152-K156 PolarHBondContact O-N 3.18Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.48Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 2.85Å; K156-T159 PolarHBondContact O-N 3.16Å; K156-N160 VanDerWaalsContact O-CG 3.29Å; K156-N160 PolarHBondContact O-N 3.31Å; K156-N160 PolarHBondContact O-ND2 3.44Å |
| 157 | N | 97.8 | Very high | 97.6 | Very high | 81 Ų | 81 | 96.3 Ų | 96.3 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.9 | -70.6 | -27.1 | 0 | 0 | 0 | 111.8 | E153 E154 L155 T159 N160 N161 | E153-N157 PolarHBondContact O-N 3.26Å; E153-N157 PolarHBondContact O-ND2 3.39Å; E154-N157 WeakPolarHBondContact O-CB 3.43Å; E154-N157 PolarHBondContact O-N 3.21Å; E154-N157 VanDerWaalsContact O-N 3.13Å; L155-N157 VanDerWaalsContact C-N 3.34Å; N157-T159 VanDerWaalsContact C-N 3.34Å; N157-T159 PolarHBondContact O-N 2.99Å; N157-N160 PolarHBondContact O-N 2.85Å; N157-N161 PolarHBondContact O-N 3.47Å |
| 158 | V | 97.9 | Very high | 97.5 | Very high | 91 Ų | 91 | 94 Ų | 94 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | E154 L155 N160 N161 L162 | E154-V158 WeakPolarHBondContact O-CG2 3.4Å; E154-V158 PolarHBondContact O-N 2.96Å; L155-V158 PolarHBondContact O-N 3.07Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 3.24Å; V158-N161 PolarHBondContact O-N 3.25Å; V158-L162 WeakPolarHBondContact O-CB 3.43Å; V158-L162 PolarHBondContact O-N 3.06Å |
| 159 | T | 98 | Very high | 97.4 | Very high | 58 Ų | 58 | 94.6 Ų | 94.6 | 36% | 0.356 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | L155 K156 N157 L162 K163 | L155-T159 VanDerWaalsContact O-CB 3.29Å; L155-T159 WeakPolarHBondContact O-CB 3.36Å; L155-T159 PolarHBondContact O-N 3.36Å; L155-T159 PolarHBondContact O-OG1 3.18Å; K156-T159 PolarHBondContact O-N 3.16Å; N157-T159 VanDerWaalsContact C-N 3.34Å; N157-T159 PolarHBondContact O-N 2.99Å; T159-L162 PolarHBondContact O-N 3.37Å; T159-K163 WeakPolarHBondContact O-CG 3.46Å; T159-K163 PolarHBondContact O-N 2.96Å; T159-K163 VanDerWaalsContact O-N 3.11Å |
| 160 | N | 97.7 | Very high | 97.3 | Very high | 81 Ų | 81 | 96.3 Ų | 96.3 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 176.4 | -71 | -24.4 | 0 | 0 | 0 | 112 | K156 N157 V158 K163 S164 | K156-N160 VanDerWaalsContact O-CG 3.29Å; K156-N160 PolarHBondContact O-N 3.31Å; K156-N160 PolarHBondContact O-ND2 3.44Å; N157-N160 PolarHBondContact O-N 2.85Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 3.24Å; N160-K163 PolarHBondContact O-N 3.43Å; N160-S164 PolarHBondContact O-N 2.85Å; N160-S164 VanDerWaalsContact O-N 3.14Å |
| 161 | N | 97.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 57% | 0.572 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 176 | -72.1 | -18.4 | 0 | 0 | 0 | 112 | N157 V158 K163 S164 L165 | N157-N161 PolarHBondContact O-N 3.47Å; V158-N161 PolarHBondContact O-N 3.25Å; N161-K163 PolarHBondContact O-N 2.93Å; N161-S164 WeakPolarHBondContact O-CB 3.47Å; N161-S164 PolarHBondContact O-N 3.41Å; N161-S164 VanDerWaalsContact O-N 3.16Å; N161-L165 WeakPolarHBondContact O-CG 3.39Å; N161-L165 PolarHBondContact O-N 3.1Å |
| 162 | L | 97.2 | Very high | 97.2 | Very high | 92 Ų | 92 | 101.5 Ų | 101.5 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 177.1 | -178.8 | 64.1 | 0 | 0 | 0 | 111.3 | V158 T159 S164 L165 E166 | V158-L162 WeakPolarHBondContact O-CB 3.43Å; V158-L162 PolarHBondContact O-N 3.06Å; T159-L162 PolarHBondContact O-N 3.37Å; L162-S164 PolarHBondContact O-N 2.77Å; L162-L165 PolarHBondContact O-N 3.08Å; L162-E166 HydrophobicContact CD1-CG 4.41Å; L162-E166 HydrophobicContact CG-CG 4.42Å; L162-E166 WeakPolarHBondContact O-CG 3.46Å; L162-E166 PolarHBondContact O-N 3.16Å |
| 163 | K | 97.7 | Very high | 97.1 | Very high | 129 Ų | 129 | 98 Ų | 98 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57 | -39 | 175.5 | -74.3 | 177.5 | -179.2 | 177.5 | 0 | 112.5 | T159 N160 N161 A167 | T159-K163 WeakPolarHBondContact O-CG 3.46Å; T159-K163 PolarHBondContact O-N 2.96Å; T159-K163 VanDerWaalsContact O-N 3.11Å; N160-K163 PolarHBondContact O-N 3.43Å; N161-K163 PolarHBondContact O-N 2.93Å; K163-A167 WeakPolarHBondContact O-CB 3.41Å; K163-A167 PolarHBondContact O-N 3.2Å; K163-A167 VanDerWaalsContact O-N 3.09Å |
| 164 | S | 96.8 | Very high | 97 | Very high | 63 Ų | 63 | 97.7 Ų | 97.7 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 176.4 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | N160 N161 L162 Q168 | N160-S164 PolarHBondContact O-N 2.85Å; N160-S164 VanDerWaalsContact O-N 3.14Å; N161-S164 WeakPolarHBondContact O-CB 3.47Å; N161-S164 PolarHBondContact O-N 3.41Å; N161-S164 VanDerWaalsContact O-N 3.16Å; L162-S164 PolarHBondContact O-N 2.77Å; S164-Q168 WeakPolarHBondContact O-CG 3.44Å; S164-Q168 PolarHBondContact O-N 2.91Å; S164-Q168 VanDerWaalsContact O-N 3.11Å |
| 165 | L | 96.5 | Very high | 97 | Very high | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.3 | -41.4 | 177.6 | -74.6 | 170.8 | 0 | 0 | 0 | 111.7 | N161 L162 Q168 S169 | N161-L165 WeakPolarHBondContact O-CG 3.39Å; N161-L165 PolarHBondContact O-N 3.1Å; L162-L165 PolarHBondContact O-N 3.08Å; L165-Q168 WeakPolarHBondContact O-CB 3.49Å; L165-Q168 PolarHBondContact O-N 3.48Å; L165-Q168 VanDerWaalsContact O-N 3.11Å; L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 3Å |
| 166 | E | 96.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 97.2 Ų | 97.2 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57 | -50.2 | 173 | -73.2 | 174 | 165.9 | 0 | 0 | 110.4 | L162 Q168 S169 D170 | L162-E166 HydrophobicContact CD1-CG 4.41Å; L162-E166 HydrophobicContact CG-CG 4.42Å; L162-E166 WeakPolarHBondContact O-CG 3.46Å; L162-E166 PolarHBondContact O-N 3.16Å; E166-Q168 PolarHBondContact O-N 3.42Å; E166-S169 WeakPolarHBondContact O-CB 3.37Å; E166-S169 PolarHBondContact O-N 3.49Å; E166-D170 PolarHBondContact O-N 3.4Å |
| 167 | A | 97 | Very high | 96.8 | Very high | 45 Ų | 45 | 95.1 Ų | 95.1 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -27 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K163 K171 | K163-A167 WeakPolarHBondContact O-CB 3.41Å; K163-A167 PolarHBondContact O-N 3.2Å; K163-A167 VanDerWaalsContact O-N 3.09Å; A167-K171 VanDerWaalsContact O-CG 3.3Å; A167-K171 WeakPolarHBondContact O-CG 3.31Å |
| 168 | Q | 96.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 97.2 Ų | 97.2 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.9 | -41.8 | 171.5 | -77.7 | 179.5 | 8.8 | 0 | 0 | 111.6 | S164 L165 E166 D170 K171 Y172 | S164-Q168 WeakPolarHBondContact O-CG 3.44Å; S164-Q168 PolarHBondContact O-N 2.91Å; S164-Q168 VanDerWaalsContact O-N 3.11Å; L165-Q168 WeakPolarHBondContact O-CB 3.49Å; L165-Q168 PolarHBondContact O-N 3.48Å; L165-Q168 VanDerWaalsContact O-N 3.11Å; E166-Q168 PolarHBondContact O-N 3.42Å; Q168-D170 VanDerWaalsContact C-N 3.35Å; Q168-D170 PolarHBondContact O-N 3.44Å; Q168-K171 WeakPolarHBondContact O-CB 3.39Å; Q168-K171 PolarHBondContact O-N 3.04Å; Q168-Y172 HydrophobicContact CB-CE2 4.44Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.45Å; Q168-Y172 PolarHBondContact O-N 2.93Å |
| 169 | S | 96.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 99.6 Ų | 99.6 | 53% | 0.531 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 176.8 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | L165 E166 K171 Y172 S173 | L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 3Å; E166-S169 WeakPolarHBondContact O-CB 3.37Å; E166-S169 PolarHBondContact O-N 3.49Å; S169-K171 VanDerWaalsContact C-N 3.31Å; S169-K171 PolarHBondContact O-N 3.01Å; S169-Y172 PolarHBondContact O-N 2.85Å; S169-Y172 VanDerWaalsContact O-N 3.11Å; S169-S173 PolarHBondContact O-N 3.38Å |
| 170 | D | 96.3 | Very high | 96.5 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -43.1 | 177.5 | -66.7 | -19.3 | 0 | 0 | 0 | 111.5 | E166 Q168 Y172 S173 E174 | E166-D170 PolarHBondContact O-N 3.4Å; Q168-D170 VanDerWaalsContact C-N 3.35Å; Q168-D170 PolarHBondContact O-N 3.44Å; D170-Y172 VanDerWaalsContact C-N 3.34Å; D170-Y172 PolarHBondContact O-N 3.47Å; D170-S173 WeakPolarHBondContact O-CB 3.46Å; D170-S173 PolarHBondContact O-N 3.03Å; D170-E174 PolarHBondContact O-N 2.95Å |
| 171 | K | 96.7 | Very high | 96.4 | Very high | 135 Ų | 135 | 103.5 Ų | 103.5 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -36.2 | 176.3 | -74.2 | 175.1 | -174.5 | 178.2 | 0 | 113.2 | A167 Q168 S169 K175 | A167-K171 VanDerWaalsContact O-CG 3.3Å; A167-K171 WeakPolarHBondContact O-CG 3.31Å; Q168-K171 WeakPolarHBondContact O-CB 3.39Å; Q168-K171 PolarHBondContact O-N 3.04Å; S169-K171 VanDerWaalsContact C-N 3.31Å; S169-K171 PolarHBondContact O-N 3.01Å; K171-K175 WeakPolarHBondContact O-CG 3.39Å; K171-K175 PolarHBondContact O-N 3.15Å |
| 172 | Y | 95.8 | Very high | 96.3 | Very high | 152 Ų | 152 | 103.7 Ų | 103.7 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.2 | -39.5 | 176.5 | -77.1 | -62.1 | 0 | 0 | 0 | 111.1 | Q168 S169 D170 K175 E176 | Q168-Y172 HydrophobicContact CB-CE2 4.44Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.45Å; Q168-Y172 PolarHBondContact O-N 2.93Å; S169-Y172 PolarHBondContact O-N 2.85Å; S169-Y172 VanDerWaalsContact O-N 3.11Å; D170-Y172 VanDerWaalsContact C-N 3.34Å; D170-Y172 PolarHBondContact O-N 3.47Å; Y172-K175 WeakPolarHBondContact O-CB 3.48Å; Y172-K175 PolarHBondContact O-N 3.46Å; Y172-K175 VanDerWaalsContact O-N 3.14Å; Y172-E176 PolarHBondContact O-N 3.03Å |
| 173 | S | 96.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 104 Ų | 104 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 172.8 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | S169 D170 K175 E176 D177 | S169-S173 PolarHBondContact O-N 3.38Å; D170-S173 WeakPolarHBondContact O-CB 3.46Å; D170-S173 PolarHBondContact O-N 3.03Å; S173-K175 PolarHBondContact O-N 3.46Å; S173-E176 WeakPolarHBondContact O-CB 3.48Å; S173-E176 PolarHBondContact O-N 2.89Å; S173-E176 VanDerWaalsContact O-N 3.1Å; S173-D177 PolarHBondContact O-N 2.96Å |
| 174 | E | 96.3 | Very high | 96.2 | Very high | 111 Ų | 111 | 103.3 Ų | 103.3 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -31 | 176.6 | -75.3 | -176 | -175 | 0 | 0 | 113.2 | D170 K178 | D170-E174 PolarHBondContact O-N 2.95Å; E174-K178 WeakPolarHBondContact O-CD 3.26Å; E174-K178 VanDerWaalsContact O-CG 3.28Å; E174-K178 WeakPolarHBondContact O-CG 3.41Å; E174-K178 PolarHBondContact O-N 3.31Å |
| 175 | K | 96 | Very high | 96.2 | Very high | 106 Ų | 106 | 104.3 Ų | 104.3 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.8 | -40.6 | 174.9 | -77.1 | 178.7 | -178.2 | -179.1 | 0 | 111.3 | K171 Y172 S173 K178 Y179 | K171-K175 WeakPolarHBondContact O-CG 3.39Å; K171-K175 PolarHBondContact O-N 3.15Å; Y172-K175 WeakPolarHBondContact O-CB 3.48Å; Y172-K175 PolarHBondContact O-N 3.46Å; Y172-K175 VanDerWaalsContact O-N 3.14Å; S173-K175 PolarHBondContact O-N 3.46Å; K175-K178 PolarHBondContact O-N 2.96Å; K175-Y179 HydrophobicContact CB-CE2 4.29Å; K175-Y179 WeakPolarHBondContact O-CD2 3.45Å; K175-Y179 PolarHBondContact O-N 3.37Å |
| 176 | E | 96 | Very high | 96.1 | Very high | 119 Ų | 119 | 104.5 Ų | 104.5 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.5 | -50 | 176.1 | -168.8 | 169.4 | -169.5 | 0 | 0 | 110.3 | Y172 S173 K178 Y179 E180 | Y172-E176 PolarHBondContact O-N 3.03Å; S173-E176 WeakPolarHBondContact O-CB 3.48Å; S173-E176 PolarHBondContact O-N 2.89Å; S173-E176 VanDerWaalsContact O-N 3.1Å; E176-K178 VanDerWaalsContact C-N 3.29Å; E176-K178 PolarHBondContact O-N 3.41Å; E176-Y179 PolarHBondContact O-N 3.41Å; E176-Y179 VanDerWaalsContact O-N 3.09Å; E176-E180 WeakPolarHBondContact O-CG 3.36Å; E176-E180 PolarHBondContact O-N 3.2Å |
| 177 | D | 96.4 | Very high | 96.1 | Very high | 95 Ų | 95 | 103.4 Ų | 103.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.9 | -41.8 | 176.4 | -66 | -22.8 | 0 | 0 | 0 | 112.5 | S173 E180 E181 | S173-D177 PolarHBondContact O-N 2.96Å; D177-E180 PolarHBondContact O-N 2.93Å; D177-E181 PolarHBondContact O-N 2.99Å; D177-E181 VanDerWaalsContact O-N 3.08Å |
| 178 | K | 96.1 | Very high | 96 | Very high | 125 Ų | 125 | 105 Ų | 105 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 177.4 | -73.7 | 169.5 | -169.6 | 166.6 | 0 | 111.8 | E174 K175 E176 E181 E182 | E174-K178 WeakPolarHBondContact O-CD 3.26Å; E174-K178 VanDerWaalsContact O-CG 3.28Å; E174-K178 WeakPolarHBondContact O-CG 3.41Å; E174-K178 PolarHBondContact O-N 3.31Å; K175-K178 PolarHBondContact O-N 2.96Å; E176-K178 VanDerWaalsContact C-N 3.29Å; E176-K178 PolarHBondContact O-N 3.41Å; K178-E181 PolarHBondContact O-N 3.4Å; K178-E182 WeakPolarHBondContact O-CG 3.27Å; K178-E182 PolarHBondContact O-N 3.13Å |
| 179 | Y | 94.8 | Very high | 96 | Very high | 142 Ų | 142 | 108.7 Ų | 108.7 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.4 | -37.5 | 178.1 | -70.6 | -44.7 | 0 | 0 | 0 | 111.6 | K175 E176 E182 I183 | K175-Y179 HydrophobicContact CB-CE2 4.29Å; K175-Y179 WeakPolarHBondContact O-CD2 3.45Å; K175-Y179 PolarHBondContact O-N 3.37Å; E176-Y179 PolarHBondContact O-N 3.41Å; E176-Y179 VanDerWaalsContact O-N 3.09Å; Y179-E182 PolarHBondContact O-N 3.44Å; Y179-I183 WeakPolarHBondContact O-CB 3.38Å; Y179-I183 WeakPolarHBondContact O-CD1 3.34Å; Y179-I183 WeakPolarHBondContact O-CG1 3.36Å; Y179-I183 PolarHBondContact O-N 3.03Å |
| 180 | E | 96.3 | Very high | 95.9 | Very high | 122 Ų | 122 | 109.3 Ų | 109.3 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -45.4 | 173.6 | -74.5 | -166.8 | 161.8 | 0 | 0 | 111.8 | E176 D177 I183 K184 | E176-E180 WeakPolarHBondContact O-CG 3.36Å; E176-E180 PolarHBondContact O-N 3.2Å; D177-E180 PolarHBondContact O-N 2.93Å; E180-I183 PolarHBondContact O-N 3.04Å; E180-K184 WeakPolarHBondContact O-CB 3.4Å; E180-K184 PolarHBondContact O-N 3.12Å |
| 181 | E | 95.9 | Very high | 95.9 | Very high | 99 Ų | 99 | 110.3 Ų | 110.3 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 177.9 | -170 | 65.9 | -174.2 | 0 | 0 | 111.9 | D177 K178 K184 I185 | D177-E181 PolarHBondContact O-N 2.99Å; D177-E181 VanDerWaalsContact O-N 3.08Å; K178-E181 PolarHBondContact O-N 3.4Å; E181-K184 WeakPolarHBondContact O-CB 3.37Å; E181-K184 PolarHBondContact O-N 3.46Å; E181-I185 HydrophobicContact CG-CD1 4.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.49Å; E181-I185 PolarHBondContact O-N 2.9Å |
| 182 | E | 95.5 | Very high | 95.9 | Very high | 111 Ų | 111 | 110.3 Ų | 110.3 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 173.2 | -79.6 | -176.6 | -178.9 | 0 | 0 | 112 | K178 Y179 K184 I185 L186 | K178-E182 WeakPolarHBondContact O-CG 3.27Å; K178-E182 PolarHBondContact O-N 3.13Å; Y179-E182 PolarHBondContact O-N 3.44Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 2.85Å; E182-I185 PolarHBondContact O-N 3.47Å; E182-L186 WeakPolarHBondContact O-CB 3.43Å; E182-L186 VanDerWaalsContact O-CG 3.3Å; E182-L186 WeakPolarHBondContact O-CG 3.38Å; E182-L186 PolarHBondContact O-N 3.15Å |
| 183 | I | 95.7 | Very high | 95.8 | Very high | 98 Ų | 98 | 105.9 Ų | 105.9 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 176.3 | -74 | 166.3 | 0 | 0 | 0 | 110.2 | Y179 E180 L186 N187 | Y179-I183 WeakPolarHBondContact O-CB 3.38Å; Y179-I183 WeakPolarHBondContact O-CD1 3.34Å; Y179-I183 WeakPolarHBondContact O-CG1 3.36Å; Y179-I183 PolarHBondContact O-N 3.03Å; E180-I183 PolarHBondContact O-N 3.04Å; I183-L186 PolarHBondContact O-N 2.68Å; I183-N187 VanDerWaalsContact CG2-ND2 3.34Å; I183-N187 WeakPolarHBondContact CG2-ND2 3.47Å; I183-N187 WeakPolarHBondContact O-CB 3.49Å; I183-N187 PolarHBondContact O-N 3.08Å; I183-N187 PolarHBondContact O-ND2 3.43Å |
| 184 | K | 96.8 | Very high | 95.7 | Very high | 115 Ų | 115 | 108.1 Ų | 108.1 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 177.5 | -173.5 | -177 | 173.2 | -166.2 | 0 | 111.8 | E180 E181 E182 L186 N187 D188 | E180-K184 WeakPolarHBondContact O-CB 3.4Å; E180-K184 PolarHBondContact O-N 3.12Å; E181-K184 WeakPolarHBondContact O-CB 3.37Å; E181-K184 PolarHBondContact O-N 3.46Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 2.85Å; K184-L186 VanDerWaalsContact C-N 3.34Å; K184-L186 PolarHBondContact O-N 3.22Å; K184-N187 PolarHBondContact O-N 3.4Å; K184-D188 PolarHBondContact O-N 3.4Å |
| 185 | I | 96.3 | Very high | 95.6 | Very high | 84 Ų | 84 | 106.9 Ų | 106.9 | 43% | 0.431 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 176.7 | -67.4 | 165.6 | 0 | 0 | 0 | 111.2 | E181 E182 D188 R189 | E181-I185 HydrophobicContact CG-CD1 4.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.49Å; E181-I185 PolarHBondContact O-N 2.9Å; E182-I185 PolarHBondContact O-N 3.47Å; I185-D188 PolarHBondContact O-N 3.27Å; I185-R189 WeakPolarHBondContact O-CB 3.32Å; I185-R189 PolarHBondContact O-N 2.93Å |
| 186 | L | 95.1 | Very high | 95.6 | Very high | 110 Ų | 110 | 111.4 Ų | 111.4 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 177.9 | -73.3 | 172.7 | 0 | 0 | 0 | 111.6 | E182 I183 K184 R189 L190 | E182-L186 WeakPolarHBondContact O-CB 3.43Å; E182-L186 VanDerWaalsContact O-CG 3.3Å; E182-L186 WeakPolarHBondContact O-CG 3.38Å; E182-L186 PolarHBondContact O-N 3.15Å; I183-L186 PolarHBondContact O-N 2.68Å; K184-L186 VanDerWaalsContact C-N 3.34Å; K184-L186 PolarHBondContact O-N 3.22Å; L186-R189 PolarHBondContact O-N 2.85Å; L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 PolarHBondContact O-N 3.03Å |
| 187 | N | 95.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 108 Ų | 108 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.9 | -84.3 | -49.6 | 0 | 0 | 0 | 112.4 | I183 K184 L190 K191 | I183-N187 VanDerWaalsContact CG2-ND2 3.34Å; I183-N187 WeakPolarHBondContact CG2-ND2 3.47Å; I183-N187 WeakPolarHBondContact O-CB 3.49Å; I183-N187 PolarHBondContact O-N 3.08Å; I183-N187 PolarHBondContact O-ND2 3.43Å; K184-N187 PolarHBondContact O-N 3.4Å; N187-L190 PolarHBondContact O-N 3.47Å; N187-K191 WeakPolarHBondContact O-CG 3.37Å; N187-K191 PolarHBondContact O-N 2.92Å |
| 188 | D | 96 | Very high | 95.4 | Very high | 77 Ų | 77 | 108.3 Ų | 108.3 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 177.3 | -71.6 | -20.2 | 0 | 0 | 0 | 111 | K184 I185 L190 K191 E192 | K184-D188 PolarHBondContact O-N 3.4Å; I185-D188 PolarHBondContact O-N 3.27Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.48Å; D188-K191 PolarHBondContact O-N 3.34Å; D188-E192 PolarHBondContact O-N 3.41Å |
| 189 | R | 95.4 | Very high | 95.3 | Very high | 169 Ų | 169 | 109.3 Ų | 109.3 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.1 | -39.2 | 172.2 | -84.3 | -178.2 | 165.6 | 179.5 | -1.6 | 113.1 | I185 L186 E192 A193 | I185-R189 WeakPolarHBondContact O-CB 3.32Å; I185-R189 PolarHBondContact O-N 2.93Å; L186-R189 PolarHBondContact O-N 2.85Å; R189-E192 PolarHBondContact O-N 3.14Å; R189-A193 WeakPolarHBondContact O-CB 3.49Å; R189-A193 PolarHBondContact O-N 2.88Å |
| 190 | L | 94.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 105 Ų | 105 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 176.6 | -179.4 | 64.1 | 0 | 0 | 0 | 110.2 | L186 N187 D188 E192 A193 E194 | L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 PolarHBondContact O-N 3.03Å; N187-L190 PolarHBondContact O-N 3.47Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.48Å; L190-E192 PolarHBondContact O-N 2.95Å; L190-A193 WeakPolarHBondContact O-CB 3.41Å; L190-A193 PolarHBondContact O-N 3.18Å; L190-A193 VanDerWaalsContact O-N 3.14Å; L190-E194 HydrophobicContact CD1-CG 4.42Å; L190-E194 HydrophobicContact CG-CG 4.43Å; L190-E194 WeakPolarHBondContact O-CB 3.47Å; L190-E194 WeakPolarHBondContact O-CG 3.32Å; L190-E194 PolarHBondContact O-N 3.41Å |
| 191 | K | 96.4 | Very high | 95 | Very high | 123 Ų | 123 | 105.7 Ų | 105.7 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.1 | -71.9 | 173.4 | -176.3 | 168.3 | 0 | 112.8 | N187 D188 A193 E194 T195 | N187-K191 WeakPolarHBondContact O-CG 3.37Å; N187-K191 PolarHBondContact O-N 2.92Å; D188-K191 PolarHBondContact O-N 3.34Å; K191-A193 VanDerWaalsContact C-N 3.35Å; K191-E194 PolarHBondContact O-N 3.4Å; K191-T195 WeakPolarHBondContact O-CB 3.44Å; K191-T195 WeakPolarHBondContact O-CG2 3.38Å; K191-T195 PolarHBondContact O-N 2.91Å; K191-T195 PolarHBondContact O-OG1 2.89Å |
| 192 | E | 95.3 | Very high | 94.9 | Very high | 136 Ų | 136 | 109 Ų | 109 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 174.2 | -74.2 | -177.3 | 176.9 | 0 | 0 | 111.9 | D188 R189 L190 T195 R196 | D188-E192 PolarHBondContact O-N 3.41Å; R189-E192 PolarHBondContact O-N 3.14Å; L190-E192 PolarHBondContact O-N 2.95Å; E192-T195 WeakPolarHBondContact CA-OG1 3.32Å; E192-T195 PolarHBondContact O-OG1 3.1Å; E192-R196 VanDerWaalsContact O-CB 3.29Å; E192-R196 WeakPolarHBondContact O-CB 3.46Å; E192-R196 PolarHBondContact O-N 2.99Å |
| 193 | A | 94.6 | Very high | 94.8 | Very high | 58 Ų | 58 | 106.1 Ų | 106.1 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R189 L190 K191 R196 A197 | R189-A193 WeakPolarHBondContact O-CB 3.49Å; R189-A193 PolarHBondContact O-N 2.88Å; L190-A193 WeakPolarHBondContact O-CB 3.41Å; L190-A193 PolarHBondContact O-N 3.18Å; L190-A193 VanDerWaalsContact O-N 3.14Å; K191-A193 VanDerWaalsContact C-N 3.35Å; A193-R196 PolarHBondContact O-N 3.36Å; A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 3.11Å |
| 194 | E | 94.3 | Very high | 94.7 | Very high | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -52 | 175.8 | -74.8 | 173.8 | 162.2 | 0 | 0 | 111.3 | L190 K191 R196 A197 E198 | L190-E194 HydrophobicContact CD1-CG 4.42Å; L190-E194 HydrophobicContact CG-CG 4.43Å; L190-E194 WeakPolarHBondContact O-CB 3.47Å; L190-E194 WeakPolarHBondContact O-CG 3.32Å; L190-E194 PolarHBondContact O-N 3.41Å; K191-E194 PolarHBondContact O-N 3.4Å; E194-R196 VanDerWaalsContact C-N 3.28Å; E194-R196 PolarHBondContact O-N 3.45Å; E194-A197 WeakPolarHBondContact O-CB 3.35Å; E194-A197 PolarHBondContact O-N 3.44Å; E194-A197 VanDerWaalsContact O-N 3.1Å; E194-E198 WeakPolarHBondContact O-CG 3.46Å; E194-E198 PolarHBondContact O-N 2.84Å |
| 195 | T | 95.1 | Very high | 94.5 | Very high | 86 Ų | 86 | 103 Ų | 103 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 177.3 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | K191 E192 F199 | K191-T195 WeakPolarHBondContact O-CB 3.44Å; K191-T195 WeakPolarHBondContact O-CG2 3.38Å; K191-T195 PolarHBondContact O-N 2.91Å; K191-T195 PolarHBondContact O-OG1 2.89Å; E192-T195 WeakPolarHBondContact CA-OG1 3.32Å; E192-T195 PolarHBondContact O-OG1 3.1Å; T195-F199 PolarHBondContact O-N 3.38Å |
| 196 | R | 94.8 | Very high | 94.3 | Very high | 201 Ų | 201 | 106.2 Ų | 106.2 | 76% | 0.758 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -41.8 | 174.1 | -175.5 | 177.1 | 179.2 | 178.1 | -0.2 | 112 | E192 A193 E194 F199 A200 | E192-R196 VanDerWaalsContact O-CB 3.29Å; E192-R196 WeakPolarHBondContact O-CB 3.46Å; E192-R196 PolarHBondContact O-N 2.99Å; A193-R196 PolarHBondContact O-N 3.36Å; E194-R196 VanDerWaalsContact C-N 3.28Å; E194-R196 PolarHBondContact O-N 3.45Å; R196-F199 PolarHBondContact O-N 3.11Å; R196-A200 PolarHBondContact O-N 3.44Å |
| 197 | A | 93.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 105.9 Ų | 105.9 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A193 E194 F199 A200 E201 | A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 3.11Å; E194-A197 WeakPolarHBondContact O-CB 3.35Å; E194-A197 PolarHBondContact O-N 3.44Å; E194-A197 VanDerWaalsContact O-N 3.1Å; A197-F199 VanDerWaalsContact C-N 3.29Å; A197-F199 PolarHBondContact O-N 3.11Å; A197-A200 WeakPolarHBondContact O-CB 3.35Å; A197-A200 PolarHBondContact O-N 2.86Å; A197-A200 VanDerWaalsContact O-N 3.1Å; A197-E201 WeakPolarHBondContact O-CG 3.44Å; A197-E201 PolarHBondContact O-N 3.35Å |
| 198 | E | 93.9 | Very high | 94 | Very high | 102 Ų | 102 | 107.3 Ų | 107.3 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.1 | -41.1 | 175 | -73.3 | -176.4 | -177.2 | 0 | 0 | 112.3 | E194 E201 R202 | E194-E198 WeakPolarHBondContact O-CG 3.46Å; E194-E198 PolarHBondContact O-N 2.84Å; E198-E201 PolarHBondContact O-N 3.44Å; E198-R202 WeakPolarHBondContact O-CG 3.35Å; E198-R202 PolarHBondContact O-N 3.39Å |
| 199 | F | 94 | Very high | 93.8 | Very high | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.64 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 176.8 | -174.4 | -92.1 | 0 | 0 | 0 | 112.2 | T195 R196 A197 R202 T203 | T195-F199 PolarHBondContact O-N 3.38Å; R196-F199 PolarHBondContact O-N 3.11Å; A197-F199 VanDerWaalsContact C-N 3.29Å; A197-F199 PolarHBondContact O-N 3.11Å; F199-R202 PolarHBondContact O-N 2.84Å; F199-T203 WeakPolarHBondContact O-CB 3.4Å; F199-T203 PolarHBondContact O-N 3.45Å; F199-T203 PolarHBondContact O-OG1 3.49Å |
| 200 | A | 93.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 105.4 Ų | 105.4 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R196 A197 R202 T203 V204 | R196-A200 PolarHBondContact O-N 3.44Å; A197-A200 WeakPolarHBondContact O-CB 3.35Å; A197-A200 PolarHBondContact O-N 2.86Å; A197-A200 VanDerWaalsContact O-N 3.1Å; A200-R202 PolarHBondContact O-N 3.35Å; A200-T203 WeakPolarHBondContact O-CA 3.32Å; A200-T203 WeakPolarHBondContact O-CB 3.49Å; A200-T203 PolarHBondContact O-N 3.29Å; A200-V204 WeakPolarHBondContact O-CG2 3.28Å; A200-V204 PolarHBondContact O-N 2.93Å |
| 201 | E | 92.8 | Very high | 93.5 | Very high | 138 Ų | 138 | 105.3 Ų | 105.3 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.1 | -45.5 | 176.2 | -73.6 | 178.2 | 175.6 | 0 | 0 | 112.2 | A197 E198 T203 V204 S205 | A197-E201 WeakPolarHBondContact O-CG 3.44Å; A197-E201 PolarHBondContact O-N 3.35Å; E198-E201 PolarHBondContact O-N 3.44Å; E201-T203 VanDerWaalsContact C-N 3.28Å; E201-T203 PolarHBondContact O-N 2.93Å; E201-V204 PolarHBondContact O-N 2.93Å; E201-S205 PolarHBondContact O-N 2.9Å |
| 202 | R | 92.9 | Very high | 93.3 | Very high | 167 Ų | 167 | 104.1 Ų | 104.1 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -36.2 | 174.1 | -74.1 | 177.6 | -176 | 177.8 | 6.8 | 112.7 | E198 F199 A200 K206 | E198-R202 WeakPolarHBondContact O-CG 3.35Å; E198-R202 PolarHBondContact O-N 3.39Å; F199-R202 PolarHBondContact O-N 2.84Å; A200-R202 PolarHBondContact O-N 3.35Å; R202-K206 WeakPolarHBondContact O-CG 3.36Å; R202-K206 PolarHBondContact O-N 2.89Å; R202-K206 VanDerWaalsContact O-N 3.15Å |
| 203 | T | 93.2 | Very high | 93.1 | Very high | 52 Ų | 52 | 101.3 Ų | 101.3 | 32% | 0.319 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | F199 A200 E201 K206 L207 | F199-T203 WeakPolarHBondContact O-CB 3.4Å; F199-T203 PolarHBondContact O-N 3.45Å; F199-T203 PolarHBondContact O-OG1 3.49Å; A200-T203 WeakPolarHBondContact O-CA 3.32Å; A200-T203 WeakPolarHBondContact O-CB 3.49Å; A200-T203 PolarHBondContact O-N 3.29Å; E201-T203 VanDerWaalsContact C-N 3.28Å; E201-T203 PolarHBondContact O-N 2.93Å; T203-K206 PolarHBondContact O-N 3Å; T203-L207 HydrophobicContact CG2-CD1 4.19Å; T203-L207 WeakPolarHBondContact O-CG 3.44Å; T203-L207 PolarHBondContact O-N 3.45Å |
| 204 | V | 93.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 103.8 Ų | 103.8 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -52.1 | 173.1 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | A200 E201 K206 L207 E208 | A200-V204 WeakPolarHBondContact O-CG2 3.28Å; A200-V204 PolarHBondContact O-N 2.93Å; E201-V204 PolarHBondContact O-N 2.93Å; V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 3.2Å; V204-L207 PolarHBondContact O-N 3.46Å; V204-E208 HydrophobicContact CG1-CG 4.2Å; V204-E208 WeakPolarHBondContact O-CG 3.36Å; V204-E208 PolarHBondContact O-N 3.21Å |
| 205 | S | 92.5 | Very high | 92.6 | Very high | 73 Ų | 73 | 104.7 Ų | 104.7 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -36.9 | 178.9 | 179 | 0 | 0 | 0 | 0 | 113.6 | E201 K209 | E201-S205 PolarHBondContact O-N 2.9Å; S205-K209 PolarHBondContact O-N 3.44Å; S205-K209 VanDerWaalsContact O-N 3.12Å |
| 206 | K | 93.4 | Very high | 92.4 | Very high | 151 Ų | 151 | 105.5 Ų | 105.5 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.1 | -42.7 | 173.9 | -75.6 | 177.2 | -177.2 | -179.7 | 0 | 112.8 | R202 T203 V204 K209 T210 | R202-K206 WeakPolarHBondContact O-CG 3.36Å; R202-K206 PolarHBondContact O-N 2.89Å; R202-K206 VanDerWaalsContact O-N 3.15Å; T203-K206 PolarHBondContact O-N 3Å; V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 3.2Å; K206-K209 PolarHBondContact O-N 3.35Å; K206-T210 PolarHBondContact O-N 2.82Å; K206-T210 PolarHBondContact O-OG1 2.92Å |
| 207 | L | 91.4 | Very high | 92.2 | Very high | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 178.1 | -73.1 | 172.1 | 0 | 0 | 0 | 110.7 | T203 V204 K209 T210 I211 | T203-L207 HydrophobicContact CG2-CD1 4.19Å; T203-L207 WeakPolarHBondContact O-CG 3.44Å; T203-L207 PolarHBondContact O-N 3.45Å; V204-L207 PolarHBondContact O-N 3.46Å; L207-K209 PolarHBondContact O-N 2.86Å; L207-T210 CarbonylContact O-C 3.58Å; L207-T210 WeakPolarHBondContact O-CB 3.46Å; L207-T210 PolarHBondContact O-N 3.27Å; L207-T210 VanDerWaalsContact O-N 3.1Å; L207-I211 VanDerWaalsContact O-CG1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.23Å; L207-I211 PolarHBondContact O-N 2.88Å |
| 208 | E | 91.7 | Very high | 91.9 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -54.9 | -50.1 | 173 | -73.8 | 174 | 158.6 | 0 | 0 | 111 | V204 T210 I211 D212 | V204-E208 HydrophobicContact CG1-CG 4.2Å; V204-E208 WeakPolarHBondContact O-CG 3.36Å; V204-E208 PolarHBondContact O-N 3.21Å; E208-T210 VanDerWaalsContact C-N 3.28Å; E208-T210 PolarHBondContact O-N 2.89Å; E208-I211 WeakPolarHBondContact O-CA 3.23Å; E208-I211 WeakPolarHBondContact O-CB 3.41Å; E208-I211 PolarHBondContact O-N 3.23Å; E208-I211 VanDerWaalsContact O-N 3.08Å; E208-D212 PolarHBondContact O-N 2.97Å |
| 209 | K | 93.3 | Very high | 91.7 | Very high | 134 Ų | 134 | 100.7 Ų | 100.7 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 175.4 | -173.2 | 178.3 | -179.9 | -178.8 | 0 | 113 | S205 K206 L207 I211 D212 D213 | S205-K209 PolarHBondContact O-N 3.44Å; S205-K209 VanDerWaalsContact O-N 3.12Å; K206-K209 PolarHBondContact O-N 3.35Å; L207-K209 PolarHBondContact O-N 2.86Å; K209-I211 VanDerWaalsContact C-N 3.32Å; K209-D212 PolarHBondContact O-N 3.32Å; K209-D213 VanDerWaalsContact O-CG 3.25Å; K209-D213 PolarHBondContact O-N 3.49Å |
| 210 | T | 91.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 98.3 Ų | 98.3 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 178.1 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | K206 L207 E208 L214 | K206-T210 PolarHBondContact O-N 2.82Å; K206-T210 PolarHBondContact O-OG1 2.92Å; L207-T210 CarbonylContact O-C 3.58Å; L207-T210 WeakPolarHBondContact O-CB 3.46Å; L207-T210 PolarHBondContact O-N 3.27Å; L207-T210 VanDerWaalsContact O-N 3.1Å; E208-T210 VanDerWaalsContact C-N 3.28Å; E208-T210 PolarHBondContact O-N 2.89Å; T210-L214 HydrophobicContact CG2-CD1 4.17Å; T210-L214 HydrophobicContact CG2-CG 4.5Å; T210-L214 WeakPolarHBondContact O-CB 3.36Å; T210-L214 WeakPolarHBondContact O-CG 3.49Å; T210-L214 PolarHBondContact O-N 3.04Å |
| 211 | I | 90.9 | Very high | 90.9 | Very high | 88 Ų | 88 | 98.2 Ų | 98.2 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 172.9 | -70.4 | 165.3 | 0 | 0 | 0 | 109.2 | L207 E208 K209 D213 L214 E215 | L207-I211 VanDerWaalsContact O-CG1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.23Å; L207-I211 PolarHBondContact O-N 2.88Å; E208-I211 WeakPolarHBondContact O-CA 3.23Å; E208-I211 WeakPolarHBondContact O-CB 3.41Å; E208-I211 PolarHBondContact O-N 3.23Å; E208-I211 VanDerWaalsContact O-N 3.08Å; K209-I211 VanDerWaalsContact C-N 3.32Å; I211-D213 PolarHBondContact O-N 2.76Å; I211-L214 CarbonylContact O-C 3.6Å; I211-L214 PolarHBondContact O-N 3.35Å; I211-L214 VanDerWaalsContact O-N 3.13Å; I211-E215 HydrophobicContact CG2-CG 4.18Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 WeakPolarHBondContact O-CG 3.35Å; I211-E215 PolarHBondContact O-N 3.13Å |
| 212 | D | 92.1 | Very high | 90.6 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 177.8 | -64.8 | -23.4 | 0 | 0 | 0 | 111.6 | E208 K209 L214 E215 E216 | E208-D212 PolarHBondContact O-N 2.97Å; K209-D212 PolarHBondContact O-N 3.32Å; D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.92Å; D212-E215 PolarHBondContact O-N 2.99Å; D212-E216 PolarHBondContact O-N 3.35Å |
| 213 | D | 91.2 | Very high | 90.2 | Very high | 76 Ų | 76 | 96.8 Ų | 96.8 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 177.8 | -70.4 | -22.8 | 0 | 0 | 0 | 111.6 | K209 I211 N217 | K209-D213 VanDerWaalsContact O-CG 3.25Å; K209-D213 PolarHBondContact O-N 3.49Å; I211-D213 PolarHBondContact O-N 2.76Å; D213-N217 WeakPolarHBondContact O-CB 3.25Å; D213-N217 PolarHBondContact O-N 2.91Å; D213-N217 PolarHBondContact O-ND2 3.46Å |
| 214 | L | 89.9 | Confident | 89.8 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.4 | -38.7 | 177.2 | -75.5 | 172.4 | 0 | 0 | 0 | 112.3 | T210 I211 D212 N217 L218 | T210-L214 HydrophobicContact CG2-CD1 4.17Å; T210-L214 HydrophobicContact CG2-CG 4.5Å; T210-L214 WeakPolarHBondContact O-CB 3.36Å; T210-L214 WeakPolarHBondContact O-CG 3.49Å; T210-L214 PolarHBondContact O-N 3.04Å; I211-L214 CarbonylContact O-C 3.6Å; I211-L214 PolarHBondContact O-N 3.35Å; I211-L214 VanDerWaalsContact O-N 3.13Å; D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.92Å; L214-N217 PolarHBondContact O-N 3.44Å; L214-L218 WeakPolarHBondContact O-CB 3.39Å; L214-L218 PolarHBondContact O-N 3.31Å |
| 215 | E | 89.8 | Confident | 89.3 | Confident | 122 Ų | 122 | 100.9 Ų | 100.9 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -41.7 | 174.9 | -75.1 | -173.8 | 170 | 0 | 0 | 111.2 | I211 D212 L218 S219 | I211-E215 HydrophobicContact CG2-CG 4.18Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 WeakPolarHBondContact O-CG 3.35Å; I211-E215 PolarHBondContact O-N 3.13Å; D212-E215 PolarHBondContact O-N 2.99Å; E215-L218 PolarHBondContact O-N 2.91Å; E215-S219 WeakPolarHBondContact O-CB 3.45Å; E215-S219 PolarHBondContact O-N 2.97Å |
| 216 | E | 91.3 | Very high | 88.9 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 174.2 | -167.9 | -172.3 | 160.6 | 0 | 0 | 111.1 | D212 L218 S219 K220 | D212-E216 PolarHBondContact O-N 3.35Å; E216-L218 VanDerWaalsContact C-N 3.34Å; E216-L218 PolarHBondContact O-N 3.31Å; E216-S219 WeakPolarHBondContact O-CB 3.44Å; E216-S219 PolarHBondContact O-N 2.74Å; E216-K220 WeakPolarHBondContact O-CG 3.23Å; E216-K220 PolarHBondContact O-N 3.38Å; E216-K220 WeakPolarHBondContact OE1-CE 3.44Å; E216-K220 IonicContact OE1-NZ 2.68Å; E216-K220 PolarHBondContact OE1-NZ 2.87Å |
| 217 | N | 88.7 | Confident | 88.3 | Confident | 92 Ų | 92 | 96.6 Ų | 96.6 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 176.6 | -73.6 | -36.6 | 0 | 0 | 0 | 112.3 | D213 L214 S219 K220 A221 | D213-N217 WeakPolarHBondContact O-CB 3.25Å; D213-N217 PolarHBondContact O-N 2.91Å; D213-N217 PolarHBondContact O-ND2 3.46Å; L214-N217 PolarHBondContact O-N 3.44Å; N217-S219 VanDerWaalsContact C-N 3.35Å; N217-K220 PolarHBondContact O-N 2.85Å; N217-A221 WeakPolarHBondContact O-CB 3.4Å; N217-A221 PolarHBondContact O-N 2.9Å |
| 218 | L | 88.6 | Confident | 87.6 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 175.4 | -179.3 | 65.4 | 0 | 0 | 0 | 111.4 | L214 E215 E216 A221 K222 | L214-L218 WeakPolarHBondContact O-CB 3.39Å; L214-L218 PolarHBondContact O-N 3.31Å; E215-L218 PolarHBondContact O-N 2.91Å; E216-L218 VanDerWaalsContact C-N 3.34Å; E216-L218 PolarHBondContact O-N 3.31Å; L218-A221 PolarHBondContact O-N 3.21Å; L218-K222 HydrophobicContact CG-CD 4.47Å; L218-K222 WeakPolarHBondContact O-CB 3.33Å; L218-K222 WeakPolarHBondContact O-CG 3.5Å; L218-K222 PolarHBondContact O-N 3.21Å |
| 219 | S | 89.4 | Confident | 86.9 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 175.7 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | E215 E216 N217 A221 K222 E223 | E215-S219 WeakPolarHBondContact O-CB 3.45Å; E215-S219 PolarHBondContact O-N 2.97Å; E216-S219 WeakPolarHBondContact O-CB 3.44Å; E216-S219 PolarHBondContact O-N 2.74Å; N217-S219 VanDerWaalsContact C-N 3.35Å; S219-A221 PolarHBondContact O-N 2.93Å; S219-K222 WeakPolarHBondContact O-CB 3.28Å; S219-K222 PolarHBondContact O-N 3.46Å; S219-E223 PolarHBondContact O-N 3.47Å |
| 220 | K | 87.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 175.1 | -72.8 | 174.3 | -175.7 | 161.7 | 0 | 111.7 | E216 N217 K222 E223 E224 | E216-K220 WeakPolarHBondContact O-CG 3.23Å; E216-K220 PolarHBondContact O-N 3.38Å; E216-K220 WeakPolarHBondContact OE1-CE 3.44Å; E216-K220 IonicContact OE1-NZ 2.68Å; E216-K220 PolarHBondContact OE1-NZ 2.87Å; N217-K220 PolarHBondContact O-N 2.85Å; K220-K222 VanDerWaalsContact C-N 3.29Å; K220-K222 PolarHBondContact O-N 3.43Å; K220-E223 PolarHBondContact O-N 3.41Å; K220-E223 VanDerWaalsContact O-N 3.17Å; K220-E224 WeakPolarHBondContact O-CG 3.35Å; K220-E224 PolarHBondContact O-N 2.88Å |
| 221 | A | 83.7 | Confident | 85.3 | Confident | 49 Ų | 49 | 97.3 Ų | 97.3 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N217 L218 S219 N225 | N217-A221 WeakPolarHBondContact O-CB 3.4Å; N217-A221 PolarHBondContact O-N 2.9Å; L218-A221 PolarHBondContact O-N 3.21Å; S219-A221 PolarHBondContact O-N 2.93Å; A221-N225 VanDerWaalsContact O-CB 3.28Å; A221-N225 WeakPolarHBondContact O-CB 3.48Å; A221-N225 PolarHBondContact O-N 2.86Å |
| 222 | K | 85 | Confident | 84.6 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 173.4 | -79.6 | 178.1 | 179.3 | 176.2 | 0 | 112 | L218 S219 K220 N225 L226 | L218-K222 HydrophobicContact CG-CD 4.47Å; L218-K222 WeakPolarHBondContact O-CB 3.33Å; L218-K222 WeakPolarHBondContact O-CG 3.5Å; L218-K222 PolarHBondContact O-N 3.21Å; S219-K222 WeakPolarHBondContact O-CB 3.28Å; S219-K222 PolarHBondContact O-N 3.46Å; K220-K222 VanDerWaalsContact C-N 3.29Å; K220-K222 PolarHBondContact O-N 3.43Å; K222-N225 PolarHBondContact O-N 3.36Å; K222-L226 WeakPolarHBondContact O-CB 3.46Å; K222-L226 PolarHBondContact O-N 3.43Å |
| 223 | E | 85.2 | Confident | 83.8 | Confident | 138 Ų | 138 | 97.6 Ų | 97.6 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 175.4 | -77.9 | -177.5 | 172.2 | 0 | 0 | 111.7 | S219 K220 N225 L226 G227 | S219-E223 PolarHBondContact O-N 3.47Å; K220-E223 PolarHBondContact O-N 3.41Å; K220-E223 VanDerWaalsContact O-N 3.17Å; E223-N225 VanDerWaalsContact C-N 3.34Å; E223-N225 PolarHBondContact O-N 3.19Å; E223-L226 WeakPolarHBondContact O-CB 3.47Å; E223-L226 PolarHBondContact O-N 3.45Å; E223-G227 PolarHBondContact O-N 3.37Å |
| 224 | E | 84.8 | Confident | 83 | Confident | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.1 | -45.1 | 174.8 | -74.3 | 178 | 176.8 | 0 | 0 | 111.3 | K220 G227 M228 | K220-E224 WeakPolarHBondContact O-CG 3.35Å; K220-E224 PolarHBondContact O-N 2.88Å; E224-G227 PolarHBondContact O-N 2.78Å; E224-M228 WeakPolarHBondContact O-CG 3.42Å; E224-M228 PolarHBondContact O-N 2.84Å |
| 225 | N | 84.3 | Confident | 82 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 177.2 | -167.8 | 25.4 | 0 | 0 | 0 | 112 | A221 K222 E223 G227 M228 H229 | A221-N225 VanDerWaalsContact O-CB 3.28Å; A221-N225 WeakPolarHBondContact O-CB 3.48Å; A221-N225 PolarHBondContact O-N 2.86Å; K222-N225 PolarHBondContact O-N 3.36Å; E223-N225 VanDerWaalsContact C-N 3.34Å; E223-N225 PolarHBondContact O-N 3.19Å; N225-G227 VanDerWaalsContact C-N 3.32Å; N225-G227 PolarHBondContact O-N 3.03Å; N225-M228 PolarHBondContact O-N 2.84Å; N225-H229 WeakPolarHBondContact O-CB 3.19Å; N225-H229 PolarHBondContact O-CD2 2.93Å; N225-H229 VanDerWaalsContact O-CD2 3.23Å; N225-H229 PolarHBondContact O-N 2.98Å |
| 226 | L | 83.4 | Confident | 81 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 173.7 | -153.8 | 90.2 | 0 | 0 | 0 | 110.8 | K222 E223 H229 Q230 | K222-L226 WeakPolarHBondContact O-CB 3.46Å; K222-L226 PolarHBondContact O-N 3.43Å; E223-L226 WeakPolarHBondContact O-CB 3.47Å; E223-L226 PolarHBondContact O-N 3.45Å; L226-H229 PolarHBondContact O-N 2.85Å; L226-Q230 WeakPolarHBondContact O-CG 3.23Å; L226-Q230 PolarHBondContact O-N 3.29Å |
| 227 | G | 80.5 | Confident | 79.9 | Confident | 26 Ų | 26 | 97.4 Ų | 97.4 | 27% | 0.268 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E223 E224 N225 H229 Q230 V231 | E223-G227 PolarHBondContact O-N 3.37Å; E224-G227 PolarHBondContact O-N 2.78Å; N225-G227 VanDerWaalsContact C-N 3.32Å; N225-G227 PolarHBondContact O-N 3.03Å; G227-H229 VanDerWaalsContact C-N 3.35Å; G227-H229 PolarHBondContact O-N 2.82Å; G227-Q230 PolarHBondContact O-N 3.45Å; G227-V231 WeakPolarHBondContact O-CG2 3.35Å; G227-V231 PolarHBondContact O-N 2.86Å |
| 228 | M | 76.7 | Confident | 78.8 | Confident | 128 Ų | 128 | 98.7 Ų | 98.7 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 173.7 | -71 | -174.9 | -163.7 | 0 | 0 | 111.9 | E224 N225 V231 L232 | E224-M228 WeakPolarHBondContact O-CG 3.42Å; E224-M228 PolarHBondContact O-N 2.84Å; N225-M228 PolarHBondContact O-N 2.84Å; M228-V231 PolarHBondContact O-N 2.85Å; M228-L232 WeakPolarHBondContact O-CB 3.48Å; M228-L232 PolarHBondContact O-N 3.42Å |
| 229 | H | 76.6 | Confident | 77.4 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 174.9 | -85 | -63.6 | 0 | 0 | 0 | 112.3 | N225 L226 G227 L232 D233 | N225-H229 WeakPolarHBondContact O-CB 3.19Å; N225-H229 PolarHBondContact O-CD2 2.93Å; N225-H229 VanDerWaalsContact O-CD2 3.23Å; N225-H229 PolarHBondContact O-N 2.98Å; L226-H229 PolarHBondContact O-N 2.85Å; G227-H229 VanDerWaalsContact C-N 3.35Å; G227-H229 PolarHBondContact O-N 2.82Å; H229-L232 WeakPolarHBondContact O-CB 3.31Å; H229-L232 PolarHBondContact O-N 2.86Å; H229-D233 WeakPolarHBondContact O-CB 3.2Å; H229-D233 PolarHBondContact O-N 3.44Å |
| 230 | Q | 76.8 | Confident | 75.8 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 175 | -74.1 | 175.6 | -3.3 | 0 | 0 | 112.4 | L226 G227 L232 D233 Q234 | L226-Q230 WeakPolarHBondContact O-CG 3.23Å; L226-Q230 PolarHBondContact O-N 3.29Å; G227-Q230 PolarHBondContact O-N 3.45Å; Q230-L232 VanDerWaalsContact C-N 3.34Å; Q230-D233 PolarHBondContact O-N 3.22Å; Q230-Q234 WeakPolarHBondContact O-CB 3.47Å; Q230-Q234 PolarHBondContact O-N 2.85Å |
| 231 | V | 75.8 | Confident | 74.1 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | G227 M228 Q234 T235 | G227-V231 WeakPolarHBondContact O-CG2 3.35Å; G227-V231 PolarHBondContact O-N 2.86Å; M228-V231 PolarHBondContact O-N 2.85Å; V231-Q234 PolarHBondContact O-N 2.91Å; V231-T235 WeakPolarHBondContact O-CB 3.26Å; V231-T235 PolarHBondContact O-N 2.98Å; V231-T235 PolarHBondContact O-OG1 3.25Å |
| 232 | L | 74.4 | Confident | 72.3 | Confident | 91 Ų | 91 | 110.3 Ų | 110.3 | 48% | 0.476 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.8 | -44.3 | 175.5 | -169.5 | 72.7 | 0 | 0 | 0 | 111.3 | M228 H229 Q230 T235 L236 | M228-L232 WeakPolarHBondContact O-CB 3.48Å; M228-L232 PolarHBondContact O-N 3.42Å; H229-L232 WeakPolarHBondContact O-CB 3.31Å; H229-L232 PolarHBondContact O-N 2.86Å; Q230-L232 VanDerWaalsContact C-N 3.34Å; L232-T235 VanDerWaalsContact CA-OG1 3.29Å; L232-T235 WeakPolarHBondContact CA-OG1 3.17Å; L232-T235 PolarHBondContact O-N 3.09Å; L232-T235 PolarHBondContact O-OG1 3.34Å; L232-L236 HydrophobicContact CG-CD1 4.14Å; L232-L236 VanDerWaalsContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CB 3.42Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.44Å; L232-L236 PolarHBondContact O-N 3.45Å |
| 233 | D | 76.4 | Confident | 71.7 | Confident | 102 Ų | 102 | 109 Ų | 109 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.6 | -40.5 | 176 | -76.8 | -19.4 | 0 | 0 | 0 | 111.2 | H229 Q230 L236 H237 | H229-D233 WeakPolarHBondContact O-CB 3.2Å; H229-D233 PolarHBondContact O-N 3.44Å; Q230-D233 PolarHBondContact O-N 3.22Å; D233-L236 PolarHBondContact O-N 3.49Å; D233-H237 VanDerWaalsContact O-CB 3.28Å; D233-H237 WeakPolarHBondContact O-CB 3.36Å; D233-H237 PolarHBondContact O-N 2.97Å |
| 234 | Q | 74.2 | Confident | 71 | Confident | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.1 | -49.3 | 171.9 | -94.6 | 179.4 | -18.6 | 0 | 0 | 111.7 | Q230 V231 L236 H237 E238 | Q230-Q234 WeakPolarHBondContact O-CB 3.47Å; Q230-Q234 PolarHBondContact O-N 2.85Å; V231-Q234 PolarHBondContact O-N 2.91Å; Q234-L236 PolarHBondContact O-N 3.29Å; Q234-H237 PolarHBondContact O-N 2.93Å; Q234-H237 VanDerWaalsContact O-N 3.16Å; Q234-E238 WeakPolarHBondContact O-CB 3.38Å; Q234-E238 WeakPolarHBondContact O-CG 3.48Å; Q234-E238 PolarHBondContact O-N 3.02Å |
| 235 | T | 69.1 | Low | 70.2 | Confident | 56 Ų | 56 | 106.3 Ų | 106.3 | 34% | 0.344 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.4 | -35.8 | 178.9 | 40.9 | 0 | 0 | 0 | 0 | 112.7 | V231 L232 E238 L239 | V231-T235 WeakPolarHBondContact O-CB 3.26Å; V231-T235 PolarHBondContact O-N 2.98Å; V231-T235 PolarHBondContact O-OG1 3.25Å; L232-T235 VanDerWaalsContact CA-OG1 3.29Å; L232-T235 WeakPolarHBondContact CA-OG1 3.17Å; L232-T235 PolarHBondContact O-N 3.09Å; L232-T235 PolarHBondContact O-OG1 3.34Å; T235-E238 PolarHBondContact O-N 2.9Å; T235-L239 WeakPolarHBondContact O-CB 3.45Å; T235-L239 WeakPolarHBondContact O-CG 3.28Å; T235-L239 PolarHBondContact O-N 3.4Å |
| 236 | L | 68.9 | Low | 69.4 | Low | 83 Ų | 83 | 107.5 Ų | 107.5 | 44% | 0.435 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.4 | -35.6 | 171.4 | -77.8 | 170.1 | 0 | 0 | 0 | 112.2 | L232 D233 Q234 N240 | L232-L236 HydrophobicContact CG-CD1 4.14Å; L232-L236 VanDerWaalsContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CB 3.42Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.44Å; L232-L236 PolarHBondContact O-N 3.45Å; D233-L236 PolarHBondContact O-N 3.49Å; Q234-L236 PolarHBondContact O-N 3.29Å; L236-N240 WeakPolarHBondContact O-CB 3.29Å; L236-N240 PolarHBondContact O-N 2.94Å; L236-N240 PolarHBondContact O-ND2 3.45Å; L236-N240 VanDerWaalsContact O-ND2 3.12Å |
| 237 | H | 68.6 | Low | 68.5 | Low | 143 Ų | 143 | 107.5 Ų | 107.5 | 66% | 0.662 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.2 | -43.4 | 174.9 | -152.5 | 67.7 | 0 | 0 | 0 | 110.9 | D233 Q234 L239 N240 S241 | D233-H237 VanDerWaalsContact O-CB 3.28Å; D233-H237 WeakPolarHBondContact O-CB 3.36Å; D233-H237 PolarHBondContact O-N 2.97Å; Q234-H237 PolarHBondContact O-N 2.93Å; Q234-H237 VanDerWaalsContact O-N 3.16Å; H237-L239 VanDerWaalsContact C-N 3.31Å; H237-L239 PolarHBondContact O-N 3.48Å; H237-N240 PolarHBondContact O-N 3.47Å; H237-S241 PolarHBondContact O-N 3.43Å; H237-S241 PolarHBondContact O-OG 3.17Å |
| 238 | E | 65.4 | Low | 67.7 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.4 | -38.3 | 173.1 | -73.7 | 175.5 | 179.6 | 0 | 0 | 112 | Q234 T235 S241 | Q234-E238 WeakPolarHBondContact O-CB 3.38Å; Q234-E238 WeakPolarHBondContact O-CG 3.48Å; Q234-E238 PolarHBondContact O-N 3.02Å; T235-E238 PolarHBondContact O-N 2.9Å; E238-S241 WeakPolarHBondContact CA-OG 3.46Å; E238-S241 PolarHBondContact O-N 3.21Å; E238-S241 PolarHBondContact O-OG 3Å |
| 239 | L | 58.3 | Low | 67.1 | Low | 117 Ų | 117 | 111.9 Ų | 111.9 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.3 | -33.5 | 174.6 | -83.1 | 161.5 | 0 | 0 | 0 | 113.7 | T235 H237 S241 | T235-L239 WeakPolarHBondContact O-CB 3.45Å; T235-L239 WeakPolarHBondContact O-CG 3.28Å; T235-L239 PolarHBondContact O-N 3.4Å; H237-L239 VanDerWaalsContact C-N 3.31Å; H237-L239 PolarHBondContact O-N 3.48Å; L239-S241 VanDerWaalsContact C-N 3.28Å |
| 240 | N | 55.1 | Low | 66.3 | Low | 136 Ų | 136 | 113.1 Ų | 113.1 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79 | -9.8 | 175.7 | -84.5 | -48.7 | 0 | 0 | 0 | 113.4 | L236 H237 | L236-N240 WeakPolarHBondContact O-CB 3.29Å; L236-N240 PolarHBondContact O-N 2.94Å; L236-N240 PolarHBondContact O-ND2 3.45Å; L236-N240 VanDerWaalsContact O-ND2 3.12Å; H237-N240 PolarHBondContact O-N 3.47Å |
| 241 | S | 52.7 | Low | 65.5 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 14.3 | 176.5 | 42.2 | 0 | 0 | 0 | 0 | 113.4 | H237 E238 L239 | H237-S241 PolarHBondContact O-N 3.43Å; H237-S241 PolarHBondContact O-OG 3.17Å; E238-S241 WeakPolarHBondContact CA-OG 3.46Å; E238-S241 PolarHBondContact O-N 3.21Å; E238-S241 PolarHBondContact O-OG 3Å; L239-S241 VanDerWaalsContact C-N 3.28Å |
| 242 | L | 46.5 | Very low | 64.5 | Low | 204 Ų | 204 | 115 Ų | 115 | 100% | 1.068 | 60% | 0.603 | S | S | * | * | trans | -113 | 0 | 168.8 | -90.5 | 158 | 0 | 0 | 0 | 110.7 |
Retrieved 242 of 242 residues in 614 ms
(Link to these results)