| 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 | 56.3 | Low | 70.6 | Confident | 194 Ų | 194 | 112.8 Ų | 112.8 | 96% | 0.956 | 62% | 0.622 | S | S | * | * | 0 | -69.8 | 0 | -64.3 | -43.4 | -144.1 | 0 | 0 | 112.9 | A3 L4 Y5 | M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.39Å; M1-A3 VanDerWaalsContact O-N 3.17Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-L4 VanDerWaalsContact O-N 3.08Å; M1-Y5 PolarHBondContact O-N 3Å | |||
| 2 | H | 59.2 | Low | 72.5 | Confident | 180 Ų | 180 | 114.3 Ų | 114.3 | 83% | 0.833 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -49.9 | -44.4 | -175.1 | -101.4 | -117.7 | 0 | 0 | 0 | 115.5 | L4 Y5 C6 | H2-L4 VanDerWaalsContact C-N 3.31Å; H2-L4 PolarHBondContact O-N 3.05Å; H2-Y5 PolarHBondContact O-N 2.78Å; H2-C6 PolarHBondContact O-N 3.41Å |
| 3 | A | 59.5 | Low | 74.2 | Confident | 80 Ų | 80 | 116.5 Ų | 116.5 | 66% | 0.661 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.1 | -34.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1 C6 T7 | M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.39Å; M1-A3 VanDerWaalsContact O-N 3.17Å; A3-C6 WeakPolarHBondContact O-CB 3.32Å; A3-C6 PolarHBondContact O-N 3.31Å; A3-T7 PolarHBondContact O-N 3.2Å |
| 4 | L | 59.7 | Low | 75.6 | Confident | 115 Ų | 115 | 118 Ų | 118 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.2 | -29.6 | -179.7 | -66.1 | 175.7 | 0 | 0 | 0 | 112.7 | M1 H2 C6 T7 L8 | M1-L4 PolarHBondContact O-N 3.24Å; M1-L4 VanDerWaalsContact O-N 3.08Å; H2-L4 VanDerWaalsContact C-N 3.31Å; H2-L4 PolarHBondContact O-N 3.05Å; L4-C6 VanDerWaalsContact C-N 3.33Å; L4-T7 PolarHBondContact O-OG1 3.45Å; L4-L8 PolarHBondContact O-N 3.14Å |
| 5 | Y | 62.2 | Low | 76.9 | Confident | 169 Ų | 169 | 114.9 Ų | 114.9 | 66% | 0.663 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.9 | -36.7 | 172.4 | -110.1 | -90.9 | 0 | 0 | 0 | 111.3 | M1 H2 T7 L8 C9 | M1-Y5 PolarHBondContact O-N 3Å; H2-Y5 PolarHBondContact O-N 2.78Å; Y5-T7 PolarHBondContact O-N 3.43Å; Y5-L8 PolarHBondContact O-N 3.38Å; Y5-C9 PolarHBondContact O-N 3.37Å; Y5-C9 PolarHBondContact O-SG 2.88Å; Y5-C9 VanDerWaalsContact O-SG 3.4Å |
| 6 | C | 66.8 | Low | 78 | Confident | 92 Ų | 92 | 115.9 Ų | 115.9 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.7 | -41.6 | 178.4 | -160.8 | 0 | 0 | 0 | 0 | 112.3 | H2 A3 L4 S10 | H2-C6 PolarHBondContact O-N 3.41Å; A3-C6 WeakPolarHBondContact O-CB 3.32Å; A3-C6 PolarHBondContact O-N 3.31Å; L4-C6 VanDerWaalsContact C-N 3.33Å; C6-S10 PolarHBondContact O-N 2.68Å |
| 7 | T | 75 | Confident | 79 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.3 | -35.8 | 178.2 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | A3 L4 Y5 | A3-T7 PolarHBondContact O-N 3.2Å; L4-T7 PolarHBondContact O-OG1 3.45Å; Y5-T7 PolarHBondContact O-N 3.43Å |
| 8 | L | 78.2 | Confident | 80 | Confident | 133 Ų | 133 | 113.1 Ų | 113.1 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.4 | -34.5 | 177.6 | -76.8 | 168.2 | 0 | 0 | 0 | 112.8 | L4 Y5 | L4-L8 PolarHBondContact O-N 3.14Å; Y5-L8 PolarHBondContact O-N 3.38Å |
| 9 | C | 83.9 | Confident | 80.9 | Confident | 44 Ų | 44 | 113.4 Ų | 113.4 | 30% | 0.297 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -86.9 | -15.5 | 179.1 | -60.7 | 0 | 0 | 0 | 0 | 114 | Y5 Y12 Y13 | Y5-C9 PolarHBondContact O-N 3.37Å; Y5-C9 PolarHBondContact O-SG 2.88Å; Y5-C9 VanDerWaalsContact O-SG 3.4Å; C9-Y12 PolarHBondContact O-N 3.31Å; C9-Y13 HydrophobicContact CB-CD2 3.95Å; C9-Y13 HydrophobicContact CB-CE2 3.78Å; C9-Y13 VanDerWaalsContact O-CD2 3.26Å; C9-Y13 WeakPolarHBondContact O-CD2 3.43Å; C9-Y13 PolarHBondContact O-N 3.43Å; C9-Y13 VanDerWaalsContact O-N 3.15Å |
| 10 | S | 85.2 | Confident | 81.7 | Confident | 63 Ų | 63 | 111.5 Ų | 111.5 | 44% | 0.441 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -49.8 | -54.3 | -179.6 | -163.8 | 0 | 0 | 0 | 0 | 114.4 | C6 Y12 Y13 E14 | C6-S10 PolarHBondContact O-N 2.68Å; S10-Y12 VanDerWaalsContact C-N 3.29Å; S10-Y12 PolarHBondContact O-N 2.85Å; S10-Y13 PolarHBondContact O-N 3.47Å; S10-Y13 VanDerWaalsContact O-N 3.16Å; S10-E14 WeakPolarHBondContact O-CB 3.43Å; S10-E14 PolarHBondContact O-N 3.34Å |
| 11 | P | 90.3 | Very high | 82.5 | Confident | 75 Ų | 75 | 108 Ų | 108 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -31.8 | -177 | 24.8 | -35 | 0 | 0 | 0 | 113.2 | T15 | P11-T15 VanDerWaalsContact O-CB 3.24Å; P11-T15 WeakPolarHBondContact O-CB 3.36Å; P11-T15 PolarHBondContact O-N 3.03Å; P11-T15 PolarHBondContact O-OG1 3.23Å |
| 12 | Y | 93.4 | Very high | 84.5 | Confident | 130 Ų | 130 | 103.7 Ų | 103.7 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 173.7 | 167.3 | -93 | 0 | 0 | 0 | 111.6 | C9 S10 T15 R16 | C9-Y12 PolarHBondContact O-N 3.31Å; S10-Y12 VanDerWaalsContact C-N 3.29Å; S10-Y12 PolarHBondContact O-N 2.85Å; Y12-T15 PolarHBondContact O-N 2.74Å; Y12-R16 VanDerWaalsContact O-CB 3.23Å; Y12-R16 WeakPolarHBondContact O-CB 3.47Å; Y12-R16 PolarHBondContact O-N 3.02Å; Y12-R16 PolarHBondContact OH-NH1 2.9Å; Y12-R16 VanDerWaalsContact OH-NH1 3.08Å |
| 13 | Y | 94.2 | Very high | 86.3 | Confident | 144 Ų | 144 | 100.2 Ų | 100.2 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.6 | -36.6 | -179.6 | -76 | -66.5 | 0 | 0 | 0 | 112.5 | C9 S10 A17 | C9-Y13 HydrophobicContact CB-CD2 3.95Å; C9-Y13 HydrophobicContact CB-CE2 3.78Å; C9-Y13 VanDerWaalsContact O-CD2 3.26Å; C9-Y13 WeakPolarHBondContact O-CD2 3.43Å; C9-Y13 PolarHBondContact O-N 3.43Å; C9-Y13 VanDerWaalsContact O-N 3.15Å; S10-Y13 PolarHBondContact O-N 3.47Å; S10-Y13 VanDerWaalsContact O-N 3.16Å; Y13-A17 VanDerWaalsContact O-CB 3.29Å; Y13-A17 WeakPolarHBondContact O-CB 3.38Å; Y13-A17 PolarHBondContact O-N 3.39Å |
| 14 | E | 93.9 | Very high | 88.2 | Confident | 137 Ų | 137 | 102.9 Ų | 102.9 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.8 | -49.7 | 173.9 | -175.9 | 171.6 | -171.7 | 0 | 0 | 111.7 | S10 R16 A17 N18 | S10-E14 WeakPolarHBondContact O-CB 3.43Å; S10-E14 PolarHBondContact O-N 3.34Å; E14-R16 PolarHBondContact O-N 3.07Å; E14-A17 WeakPolarHBondContact O-CB 3.36Å; E14-A17 PolarHBondContact O-N 2.93Å; E14-A17 VanDerWaalsContact O-N 3.16Å; E14-N18 PolarHBondContact O-N 3Å |
| 15 | T | 95.1 | Very high | 90 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | P11 Y12 A17 N18 Y19 | P11-T15 VanDerWaalsContact O-CB 3.24Å; P11-T15 WeakPolarHBondContact O-CB 3.36Å; P11-T15 PolarHBondContact O-N 3.03Å; P11-T15 PolarHBondContact O-OG1 3.23Å; Y12-T15 PolarHBondContact O-N 2.74Å; T15-A17 VanDerWaalsContact C-N 3.32Å; T15-A17 PolarHBondContact O-N 3.46Å; T15-N18 PolarHBondContact O-N 3.06Å; T15-Y19 HydrophobicContact CG2-CD2 3.77Å; T15-Y19 HydrophobicContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact O-CD2 3.26Å; T15-Y19 WeakPolarHBondContact O-CD2 3.34Å; T15-Y19 PolarHBondContact O-N 3.35Å |
| 16 | R | 95.6 | Very high | 91.7 | Very high | 131 Ų | 131 | 98 Ų | 98 | 49% | 0.494 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 176.1 | -178.9 | 175.5 | 176.3 | 170.5 | -2.1 | 112.7 | Y12 E14 N20 | Y12-R16 VanDerWaalsContact O-CB 3.23Å; Y12-R16 WeakPolarHBondContact O-CB 3.47Å; Y12-R16 PolarHBondContact O-N 3.02Å; Y12-R16 PolarHBondContact OH-NH1 2.9Å; Y12-R16 VanDerWaalsContact OH-NH1 3.08Å; E14-R16 PolarHBondContact O-N 3.07Å; R16-N20 WeakPolarHBondContact O-CB 3.18Å; R16-N20 PolarHBondContact O-N 2.98Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.76Å |
| 17 | A | 95.1 | Very high | 93.2 | Very high | 64 Ų | 64 | 100 Ų | 100 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.5 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y13 E14 T15 N20 G21 | Y13-A17 VanDerWaalsContact O-CB 3.29Å; Y13-A17 WeakPolarHBondContact O-CB 3.38Å; Y13-A17 PolarHBondContact O-N 3.39Å; E14-A17 WeakPolarHBondContact O-CB 3.36Å; E14-A17 PolarHBondContact O-N 2.93Å; E14-A17 VanDerWaalsContact O-N 3.16Å; T15-A17 VanDerWaalsContact C-N 3.32Å; T15-A17 PolarHBondContact O-N 3.46Å; A17-N20 PolarHBondContact O-N 3.02Å; A17-G21 PolarHBondContact O-N 3.29Å |
| 18 | N | 96.1 | Very high | 94.3 | Very high | 117 Ų | 117 | 99 Ų | 99 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.8 | -54.7 | 175.7 | -170.9 | -37.6 | 0 | 0 | 0 | 111.2 | E14 T15 N20 G21 L22 | E14-N18 PolarHBondContact O-N 3Å; T15-N18 PolarHBondContact O-N 3.06Å; N18-N20 VanDerWaalsContact C-N 3.29Å; N18-N20 PolarHBondContact O-N 3.28Å; N18-G21 WeakPolarHBondContact O-CA 3.42Å; N18-G21 PolarHBondContact O-N 3.2Å; N18-L22 PolarHBondContact O-N 3.07Å |
| 19 | Y | 97.6 | Very high | 95.3 | Very high | 119 Ų | 119 | 101.1 Ų | 101.1 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -36 | 176.3 | -72.8 | -59 | 0 | 0 | 0 | 113 | T15 G21 L22 L23 | T15-Y19 HydrophobicContact CG2-CD2 3.77Å; T15-Y19 HydrophobicContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact O-CD2 3.26Å; T15-Y19 WeakPolarHBondContact O-CD2 3.34Å; T15-Y19 PolarHBondContact O-N 3.35Å; Y19-G21 VanDerWaalsContact C-N 3.34Å; Y19-L22 PolarHBondContact O-N 3.04Å; Y19-L23 WeakPolarHBondContact O-CB 3.34Å; Y19-L23 VanDerWaalsContact O-CG 3.3Å; Y19-L23 WeakPolarHBondContact O-CG 3.41Å; Y19-L23 PolarHBondContact O-N 3.5Å |
| 20 | N | 96.9 | Very high | 96 | Very high | 75 Ų | 75 | 102.1 Ų | 102.1 | 40% | 0.401 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 172.3 | -98.3 | -98.1 | 0 | 0 | 0 | 112.8 | R16 A17 N18 K24 | R16-N20 WeakPolarHBondContact O-CB 3.18Å; R16-N20 PolarHBondContact O-N 2.98Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.76Å; A17-N20 PolarHBondContact O-N 3.02Å; N18-N20 VanDerWaalsContact C-N 3.29Å; N18-N20 PolarHBondContact O-N 3.28Å; N20-K24 WeakPolarHBondContact O-CB 3.31Å; N20-K24 WeakPolarHBondContact O-CD 3.44Å; N20-K24 WeakPolarHBondContact O-CG 3.44Å; N20-K24 PolarHBondContact O-N 2.98Å |
| 21 | G | 97.9 | Very high | 96.6 | Very high | 38 Ų | 38 | 103.1 Ų | 103.1 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A17 N18 Y19 K24 A25 | A17-G21 PolarHBondContact O-N 3.29Å; N18-G21 WeakPolarHBondContact O-CA 3.42Å; N18-G21 PolarHBondContact O-N 3.2Å; Y19-G21 VanDerWaalsContact C-N 3.34Å; G21-K24 PolarHBondContact O-N 3.29Å; G21-A25 PolarHBondContact O-N 3.12Å |
| 22 | L | 97.9 | Very high | 97 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 179.3 | -174.6 | 61.5 | 0 | 0 | 0 | 112.2 | N18 Y19 K24 A25 Q26 | N18-L22 PolarHBondContact O-N 3.07Å; Y19-L22 PolarHBondContact O-N 3.04Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.39Å; L22-A25 PolarHBondContact O-N 3.34Å; L22-Q26 WeakPolarHBondContact O-CB 3.45Å; L22-Q26 PolarHBondContact O-N 3.24Å |
| 23 | L | 98.3 | Very high | 97.3 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 176.6 | -72.6 | 170.7 | 0 | 0 | 0 | 112.3 | Y19 K27 | Y19-L23 WeakPolarHBondContact O-CB 3.34Å; Y19-L23 VanDerWaalsContact O-CG 3.3Å; Y19-L23 WeakPolarHBondContact O-CG 3.41Å; Y19-L23 PolarHBondContact O-N 3.5Å; L23-K27 VanDerWaalsContact O-CB 3.22Å; L23-K27 WeakPolarHBondContact O-CB 3.33Å; L23-K27 PolarHBondContact O-N 3.48Å |
| 24 | K | 98.4 | Very high | 97.5 | Very high | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.1 | -46.1 | 173.1 | -76.5 | 169.5 | -174.1 | 177.2 | 0 | 111.4 | N20 G21 L22 K27 T28 | N20-K24 WeakPolarHBondContact O-CB 3.31Å; N20-K24 WeakPolarHBondContact O-CD 3.44Å; N20-K24 WeakPolarHBondContact O-CG 3.44Å; N20-K24 PolarHBondContact O-N 2.98Å; G21-K24 PolarHBondContact O-N 3.29Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.39Å; K24-K27 PolarHBondContact O-N 3.42Å; K24-T28 PolarHBondContact O-N 3.24Å; K24-T28 PolarHBondContact O-OG1 3.39Å; K24-T28 VanDerWaalsContact O-OG1 3.11Å |
| 25 | A | 97.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 97.3 Ų | 97.3 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G21 L22 T28 R29 | G21-A25 PolarHBondContact O-N 3.12Å; L22-A25 PolarHBondContact O-N 3.34Å; A25-T28 PolarHBondContact O-N 3.46Å; A25-R29 PolarHBondContact O-N 3.19Å |
| 26 | Q | 98.2 | Very high | 97.9 | Very high | 119 Ų | 119 | 99.9 Ų | 99.9 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 175.3 | -170.7 | 179.4 | 12.8 | 0 | 0 | 111.5 | L22 R29 V30 | L22-Q26 WeakPolarHBondContact O-CB 3.45Å; L22-Q26 PolarHBondContact O-N 3.24Å; Q26-R29 PolarHBondContact O-N 3.44Å; Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 2.98Å |
| 27 | K | 98.5 | Very high | 98 | Very high | 134 Ų | 134 | 97.3 Ų | 97.3 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 176 | -177.7 | 175.3 | -179.9 | 177.4 | 0 | 112.5 | L23 K24 R29 V30 N31 | L23-K27 VanDerWaalsContact O-CB 3.22Å; L23-K27 WeakPolarHBondContact O-CB 3.33Å; L23-K27 PolarHBondContact O-N 3.48Å; K24-K27 PolarHBondContact O-N 3.42Å; K27-R29 VanDerWaalsContact C-N 3.33Å; K27-R29 PolarHBondContact O-N 2.97Å; K27-V30 PolarHBondContact O-N 3.48Å; K27-N31 VanDerWaalsContact O-CG 3.32Å; K27-N31 PolarHBondContact O-N 3.12Å; K27-N31 PolarHBondContact O-OD1 2.89Å |
| 28 | T | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 97.3 Ų | 97.3 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | K24 A25 V30 N31 E32 | K24-T28 PolarHBondContact O-N 3.24Å; K24-T28 PolarHBondContact O-OG1 3.39Å; K24-T28 VanDerWaalsContact O-OG1 3.11Å; A25-T28 PolarHBondContact O-N 3.46Å; T28-V30 VanDerWaalsContact C-N 3.35Å; T28-V30 PolarHBondContact O-N 2.88Å; T28-N31 PolarHBondContact O-N 3.48Å; T28-E32 WeakPolarHBondContact O-CG 3.47Å; T28-E32 PolarHBondContact O-N 3.19Å |
| 29 | R | 98.4 | Very high | 98.3 | Very high | 178 Ų | 178 | 94.1 Ų | 94.1 | 67% | 0.672 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.2 | -39.2 | 176.3 | -174.8 | 174.3 | -179.5 | 158.4 | 0.4 | 112.9 | A25 Q26 K27 L33 | A25-R29 PolarHBondContact O-N 3.19Å; Q26-R29 PolarHBondContact O-N 3.44Å; K27-R29 VanDerWaalsContact C-N 3.33Å; K27-R29 PolarHBondContact O-N 2.97Å; R29-L33 HydrophobicContact CG-CD1 4.33Å; R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 VanDerWaalsContact O-CG 3.28Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.32Å |
| 30 | V | 98.7 | Very high | 98.4 | Very high | 65 Ų | 65 | 91.3 Ų | 91.3 | 39% | 0.394 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -51 | 173.5 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | Q26 K27 T28 E32 L33 E34 | Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 2.98Å; K27-V30 PolarHBondContact O-N 3.48Å; T28-V30 VanDerWaalsContact C-N 3.35Å; T28-V30 PolarHBondContact O-N 2.88Å; V30-E32 VanDerWaalsContact C-N 3.3Å; V30-E32 PolarHBondContact O-N 3.15Å; V30-L33 PolarHBondContact O-N 3.14Å; V30-E34 HydrophobicContact CG1-CG 4.3Å; V30-E34 WeakPolarHBondContact O-CG 3.47Å; V30-E34 PolarHBondContact O-N 2.96Å |
| 31 | N | 98.6 | Very high | 98.4 | Very high | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 178.2 | -69 | 5.6 | 0 | 0 | 0 | 112.4 | K27 T28 E34 A35 | K27-N31 VanDerWaalsContact O-CG 3.32Å; K27-N31 PolarHBondContact O-N 3.12Å; K27-N31 PolarHBondContact O-OD1 2.89Å; T28-N31 PolarHBondContact O-N 3.48Å; N31-E34 PolarHBondContact O-N 3.22Å; N31-A35 WeakPolarHBondContact O-CB 3.44Å; N31-A35 PolarHBondContact O-N 3.13Å |
| 32 | E | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 98.6 Ų | 98.6 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 175.5 | -76.7 | 179.5 | -149.3 | 0 | 0 | 112.7 | T28 V30 A35 K36 | T28-E32 WeakPolarHBondContact O-CG 3.47Å; T28-E32 PolarHBondContact O-N 3.19Å; V30-E32 VanDerWaalsContact C-N 3.3Å; V30-E32 PolarHBondContact O-N 3.15Å; E32-A35 PolarHBondContact O-N 3.18Å; E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 WeakPolarHBondContact O-CD 3.31Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 3.15Å; E32-K36 IonicContact OE2-NZ 3.5Å |
| 33 | L | 98.7 | Very high | 98.5 | Very high | 93 Ų | 93 | 97.9 Ų | 97.9 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 176.9 | -73.4 | 173.5 | 0 | 0 | 0 | 111.3 | R29 V30 A35 K36 V37 | R29-L33 HydrophobicContact CG-CD1 4.33Å; R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 VanDerWaalsContact O-CG 3.28Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.32Å; V30-L33 PolarHBondContact O-N 3.14Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 2.91Å; L33-K36 PolarHBondContact O-N 3.39Å; L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.3Å; L33-V37 PolarHBondContact O-N 3.49Å |
| 34 | E | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 100.2 Ų | 100.2 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 173.6 | -71.7 | 178.3 | 167.6 | 0 | 0 | 111.7 | V30 N31 V37 S38 | V30-E34 HydrophobicContact CG1-CG 4.3Å; V30-E34 WeakPolarHBondContact O-CG 3.47Å; V30-E34 PolarHBondContact O-N 2.96Å; N31-E34 PolarHBondContact O-N 3.22Å; E34-V37 PolarHBondContact O-N 3.39Å; E34-S38 WeakPolarHBondContact O-CB 3.29Å; E34-S38 PolarHBondContact O-N 3.38Å; E34-S38 PolarHBondContact O-OG 3.27Å |
| 35 | A | 98.5 | Very high | 98.5 | Very high | 55 Ų | 55 | 97 Ų | 97 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N31 E32 L33 S38 A39 | N31-A35 WeakPolarHBondContact O-CB 3.44Å; N31-A35 PolarHBondContact O-N 3.13Å; E32-A35 PolarHBondContact O-N 3.18Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 2.91Å; A35-S38 PolarHBondContact O-N 3.48Å; A35-S38 PolarHBondContact O-OG 3.21Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 2.95Å |
| 36 | K | 98.6 | Very high | 98.6 | Very high | 125 Ų | 125 | 100.4 Ų | 100.4 | 54% | 0.543 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 174.7 | -74.3 | 162.6 | -176.9 | 161.9 | 0 | 111.6 | E32 L33 A40 | E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 WeakPolarHBondContact O-CD 3.31Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 3.15Å; E32-K36 IonicContact OE2-NZ 3.5Å; L33-K36 PolarHBondContact O-N 3.39Å; K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 2.88Å |
| 37 | V | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 97 Ų | 97 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 177.1 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | L33 E34 K41 | L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.3Å; L33-V37 PolarHBondContact O-N 3.49Å; E34-V37 PolarHBondContact O-N 3.39Å; V37-K41 HydrophobicContact CG1-CD 4.26Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 VanDerWaalsContact O-CG 3.29Å; V37-K41 WeakPolarHBondContact O-CG 3.4Å; V37-K41 PolarHBondContact O-N 3.43Å |
| 38 | S | 98.6 | Very high | 98.6 | Very high | 63 Ų | 63 | 94.2 Ų | 94.2 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 176.6 | 66.9 | 0 | 0 | 0 | 0 | 112 | E34 A35 K41 L42 | E34-S38 WeakPolarHBondContact O-CB 3.29Å; E34-S38 PolarHBondContact O-N 3.38Å; E34-S38 PolarHBondContact O-OG 3.27Å; A35-S38 PolarHBondContact O-N 3.48Å; A35-S38 PolarHBondContact O-OG 3.21Å; S38-K41 PolarHBondContact O-N 3.46Å; S38-L42 WeakPolarHBondContact O-CG 3.4Å; S38-L42 PolarHBondContact O-N 3.3Å |
| 39 | A | 98.5 | Very high | 98.6 | Very high | 51 Ų | 51 | 96.2 Ų | 96.2 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A35 K41 L42 T43 | A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 2.95Å; A39-K41 VanDerWaalsContact C-N 3.3Å; A39-K41 PolarHBondContact O-N 3.46Å; A39-L42 WeakPolarHBondContact O-CB 3.21Å; A39-L42 PolarHBondContact O-N 3.07Å; A39-T43 PolarHBondContact O-N 3.02Å; A39-T43 PolarHBondContact O-OG1 3.4Å |
| 40 | A | 98.7 | Very high | 98.6 | Very high | 60 Ų | 60 | 92 Ų | 92 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K36 Y44 | K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 2.88Å; A40-Y44 WeakPolarHBondContact O-CB 3.25Å; A40-Y44 PolarHBondContact O-N 2.89Å |
| 41 | K | 98.8 | Very high | 98.6 | Very high | 144 Ų | 144 | 94.4 Ų | 94.4 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -38.1 | 173.7 | -77 | 173.9 | 179.3 | -178.9 | 0 | 112.8 | V37 S38 A39 N45 | V37-K41 HydrophobicContact CG1-CD 4.26Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 VanDerWaalsContact O-CG 3.29Å; V37-K41 WeakPolarHBondContact O-CG 3.4Å; V37-K41 PolarHBondContact O-N 3.43Å; S38-K41 PolarHBondContact O-N 3.46Å; A39-K41 VanDerWaalsContact C-N 3.3Å; A39-K41 PolarHBondContact O-N 3.46Å; K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 PolarHBondContact O-N 3.25Å |
| 42 | L | 98.6 | Very high | 98.6 | Very high | 122 Ų | 122 | 96 Ų | 96 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.3 | -49.6 | 176.3 | -72 | 170 | 0 | 0 | 0 | 111 | S38 A39 Y44 N45 E46 | S38-L42 WeakPolarHBondContact O-CG 3.4Å; S38-L42 PolarHBondContact O-N 3.3Å; A39-L42 WeakPolarHBondContact O-CB 3.21Å; A39-L42 PolarHBondContact O-N 3.07Å; L42-Y44 VanDerWaalsContact C-N 3.3Å; L42-Y44 PolarHBondContact O-N 3.14Å; L42-N45 PolarHBondContact O-N 3.41Å; L42-N45 VanDerWaalsContact O-N 3.1Å; L42-E46 PolarHBondContact O-N 3.03Å |
| 43 | T | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -39.1 | 176.6 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | A39 E46 A47 | A39-T43 PolarHBondContact O-N 3.02Å; A39-T43 PolarHBondContact O-OG1 3.4Å; T43-E46 PolarHBondContact O-N 3.48Å; T43-A47 WeakPolarHBondContact O-CB 3.42Å; T43-A47 PolarHBondContact O-N 3.46Å |
| 44 | Y | 98.8 | Very high | 98.6 | Very high | 155 Ų | 155 | 96.4 Ų | 96.4 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 174.2 | 179.5 | -107.3 | 0 | 0 | 0 | 112.6 | A40 L42 A47 L48 | A40-Y44 WeakPolarHBondContact O-CB 3.25Å; A40-Y44 PolarHBondContact O-N 2.89Å; L42-Y44 VanDerWaalsContact C-N 3.3Å; L42-Y44 PolarHBondContact O-N 3.14Å; Y44-A47 PolarHBondContact O-N 3.33Å; Y44-L48 HydrophobicContact CD1-CD1 4.07Å; Y44-L48 HydrophobicContact CE1-CD1 3.49Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.49Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 HydrophobicContact CE2-CG 4.4Å; Y44-L48 WeakPolarHBondContact O-CG 3.41Å; Y44-L48 PolarHBondContact O-N 2.97Å |
| 45 | N | 98.6 | Very high | 98.6 | Very high | 68 Ų | 68 | 93.2 Ų | 93.2 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 176.4 | -175.3 | -109.6 | 0 | 0 | 0 | 112.7 | K41 L42 L48 K49 | K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 PolarHBondContact O-N 3.25Å; L42-N45 PolarHBondContact O-N 3.41Å; L42-N45 VanDerWaalsContact O-N 3.1Å; N45-L48 PolarHBondContact O-N 2.84Å; N45-K49 WeakPolarHBondContact O-CG 3.4Å; N45-K49 PolarHBondContact O-N 3.3Å; N45-K49 VanDerWaalsContact O-N 3.09Å; N45-K49 VanDerWaalsContact OD1-CE 3.3Å; N45-K49 WeakPolarHBondContact OD1-CE 3.3Å; N45-K49 PolarHBondContact OD1-NZ 2.81Å |
| 46 | E | 98.7 | Very high | 98.6 | Very high | 133 Ų | 133 | 95.5 Ų | 95.5 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 172.8 | -176.6 | 179.1 | -174.8 | 0 | 0 | 111.5 | L42 T43 L48 K49 N50 | L42-E46 PolarHBondContact O-N 3.03Å; T43-E46 PolarHBondContact O-N 3.48Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.88Å; E46-K49 PolarHBondContact O-N 3.37Å; E46-N50 WeakPolarHBondContact O-CB 3.48Å; E46-N50 PolarHBondContact O-N 2.92Å |
| 47 | A | 98.7 | Very high | 98.6 | Very high | 49 Ų | 49 | 93.1 Ų | 93.1 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T43 Y44 N50 L51 | T43-A47 WeakPolarHBondContact O-CB 3.42Å; T43-A47 PolarHBondContact O-N 3.46Å; Y44-A47 PolarHBondContact O-N 3.33Å; A47-N50 PolarHBondContact O-N 2.92Å; A47-L51 WeakPolarHBondContact O-CG 3.43Å; A47-L51 PolarHBondContact O-N 3.32Å |
| 48 | L | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 92.5 Ų | 92.5 | 39% | 0.387 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.6 | -73.7 | 178.5 | 0 | 0 | 0 | 112.5 | Y44 N45 E46 N50 L51 E52 | Y44-L48 HydrophobicContact CD1-CD1 4.07Å; Y44-L48 HydrophobicContact CE1-CD1 3.49Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.49Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 HydrophobicContact CE2-CG 4.4Å; Y44-L48 WeakPolarHBondContact O-CG 3.41Å; Y44-L48 PolarHBondContact O-N 2.97Å; N45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.88Å; L48-N50 VanDerWaalsContact C-N 3.3Å; L48-N50 PolarHBondContact O-N 2.82Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-E52 WeakPolarHBondContact O-CB 3.29Å; L48-E52 PolarHBondContact O-N 3.17Å |
| 49 | K | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 95.5 Ų | 95.5 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 175.8 | -76 | 166.2 | 172 | 159.4 | 0 | 112.6 | N45 E46 E52 Q53 | N45-K49 WeakPolarHBondContact O-CG 3.4Å; N45-K49 PolarHBondContact O-N 3.3Å; N45-K49 VanDerWaalsContact O-N 3.09Å; N45-K49 VanDerWaalsContact OD1-CE 3.3Å; N45-K49 WeakPolarHBondContact OD1-CE 3.3Å; N45-K49 PolarHBondContact OD1-NZ 2.81Å; E46-K49 PolarHBondContact O-N 3.37Å; K49-E52 PolarHBondContact O-N 2.87Å; K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 PolarHBondContact O-N 3.38Å |
| 50 | N | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 99.2 Ų | 99.2 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 176 | -167.2 | -20.1 | 0 | 0 | 0 | 110.8 | E46 A47 L48 E52 Q53 I54 | E46-N50 WeakPolarHBondContact O-CB 3.48Å; E46-N50 PolarHBondContact O-N 2.92Å; A47-N50 PolarHBondContact O-N 2.92Å; L48-N50 VanDerWaalsContact C-N 3.3Å; L48-N50 PolarHBondContact O-N 2.82Å; N50-E52 PolarHBondContact O-N 3.06Å; N50-Q53 PolarHBondContact O-N 3.21Å; N50-I54 WeakPolarHBondContact O-CB 3.34Å; N50-I54 VanDerWaalsContact O-CG1 3.28Å; N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 3.45Å; N50-I54 VanDerWaalsContact OD1-CD1 3.22Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.47Å |
| 51 | L | 98.7 | Very high | 98.5 | Very high | 115 Ų | 115 | 102.4 Ų | 102.4 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -40.9 | 173.7 | -68.5 | 174.4 | 0 | 0 | 0 | 112.8 | A47 L48 S55 | A47-L51 WeakPolarHBondContact O-CG 3.43Å; A47-L51 PolarHBondContact O-N 3.32Å; L48-L51 PolarHBondContact O-N 3.42Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.39Å |
| 52 | E | 98.4 | Very high | 98.4 | Very high | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -52.9 | 173.3 | -177 | 171.6 | -148.3 | 0 | 0 | 110.5 | L48 K49 N50 I54 S55 E56 | L48-E52 WeakPolarHBondContact O-CB 3.29Å; L48-E52 PolarHBondContact O-N 3.17Å; K49-E52 PolarHBondContact O-N 2.87Å; N50-E52 PolarHBondContact O-N 3.06Å; E52-I54 PolarHBondContact O-N 2.97Å; E52-S55 WeakPolarHBondContact O-CB 3.42Å; E52-S55 PolarHBondContact O-N 3.07Å; E52-S55 VanDerWaalsContact O-N 3.1Å; E52-S55 PolarHBondContact O-OG 3.03Å; E52-E56 PolarHBondContact O-N 3.16Å |
| 53 | Q | 98.6 | Very high | 98.3 | Very high | 115 Ų | 115 | 103.2 Ų | 103.2 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.8 | -48 | 177.4 | -176.6 | -179.8 | -11 | 0 | 0 | 112.8 | K49 N50 S55 E56 D57 | K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 PolarHBondContact O-N 3.38Å; N50-Q53 PolarHBondContact O-N 3.21Å; Q53-S55 VanDerWaalsContact C-N 3.25Å; Q53-S55 PolarHBondContact O-N 2.78Å; Q53-E56 PolarHBondContact O-N 3.44Å; Q53-D57 WeakPolarHBondContact O-CB 3.3Å; Q53-D57 PolarHBondContact O-N 3.48Å |
| 54 | I | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 104.6 Ų | 104.6 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 176.6 | -70.3 | 166.3 | 0 | 0 | 0 | 110.5 | N50 E52 D57 I58 | N50-I54 WeakPolarHBondContact O-CB 3.34Å; N50-I54 VanDerWaalsContact O-CG1 3.28Å; N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 3.45Å; N50-I54 VanDerWaalsContact OD1-CD1 3.22Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.47Å; E52-I54 PolarHBondContact O-N 2.97Å; I54-D57 PolarHBondContact O-N 3.42Å; I54-I58 HydrophobicContact CG2-CD1 3.77Å; I54-I58 HydrophobicContact CG2-CG1 4.46Å; I54-I58 WeakPolarHBondContact O-CB 3.22Å; I54-I58 VanDerWaalsContact O-CG1 3.25Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 3.45Å |
| 55 | S | 98.6 | Very high | 98 | Very high | 54 Ų | 54 | 104.8 Ų | 104.8 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 177.5 | 80.4 | 0 | 0 | 0 | 0 | 111.8 | L51 E52 Q53 D57 I58 H59 | L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.39Å; E52-S55 WeakPolarHBondContact O-CB 3.42Å; E52-S55 PolarHBondContact O-N 3.07Å; E52-S55 VanDerWaalsContact O-N 3.1Å; E52-S55 PolarHBondContact O-OG 3.03Å; Q53-S55 VanDerWaalsContact C-N 3.25Å; Q53-S55 PolarHBondContact O-N 2.78Å; S55-D57 PolarHBondContact O-N 3Å; S55-I58 PolarHBondContact O-N 2.89Å; S55-H59 PolarHBondContact O-CD2 3.33Å; S55-H59 PolarHBondContact O-N 3.48Å |
| 56 | E | 98.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 106.4 Ų | 106.4 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.4 | -70.2 | -165.7 | 159.7 | 0 | 0 | 112 | E52 Q53 H59 R60 | E52-E56 PolarHBondContact O-N 3.16Å; Q53-E56 PolarHBondContact O-N 3.44Å; E56-H59 PolarHBondContact O-N 3.32Å; E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.46Å; E56-R60 PolarHBondContact O-N 3.21Å |
| 57 | D | 98.6 | Very high | 97.4 | Very high | 74 Ų | 74 | 103.6 Ų | 103.6 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 179.6 | -77.2 | -24.9 | 0 | 0 | 0 | 111.9 | Q53 I54 S55 R60 Q61 | Q53-D57 WeakPolarHBondContact O-CB 3.3Å; Q53-D57 PolarHBondContact O-N 3.48Å; I54-D57 PolarHBondContact O-N 3.42Å; S55-D57 PolarHBondContact O-N 3Å; D57-R60 PolarHBondContact O-N 2.95Å; D57-R60 IonicContact OD1-NE 3.07Å; D57-Q61 VanDerWaalsContact O-CB 3.3Å; D57-Q61 WeakPolarHBondContact O-CB 3.44Å; D57-Q61 PolarHBondContact O-N 3.39Å |
| 58 | I | 98.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 107.1 Ų | 107.1 | 33% | 0.333 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 171.9 | -70.3 | 167.8 | 0 | 0 | 0 | 110.8 | I54 S55 R62 | I54-I58 HydrophobicContact CG2-CD1 3.77Å; I54-I58 HydrophobicContact CG2-CG1 4.46Å; I54-I58 WeakPolarHBondContact O-CB 3.22Å; I54-I58 VanDerWaalsContact O-CG1 3.25Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 3.45Å; S55-I58 PolarHBondContact O-N 2.89Å; I58-R62 VanDerWaalsContact CG2-NE 3.32Å; I58-R62 WeakPolarHBondContact O-CB 3.45Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 3.25Å |
| 59 | H | 98.2 | Very high | 96.8 | Very high | 125 Ų | 125 | 107.2 Ų | 107.2 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 176.2 | -80.4 | -66.8 | 0 | 0 | 0 | 111.8 | S55 E56 R62 Q63 | S55-H59 PolarHBondContact O-CD2 3.33Å; S55-H59 PolarHBondContact O-N 3.48Å; E56-H59 PolarHBondContact O-N 3.32Å; H59-R62 PolarHBondContact O-N 3.15Å; H59-Q63 WeakPolarHBondContact O-CB 3.45Å; H59-Q63 PolarHBondContact O-N 3.26Å |
| 60 | R | 98.3 | Very high | 96.4 | Very high | 130 Ų | 130 | 106.2 Ų | 106.2 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 176.1 | -168.7 | -170.2 | -54.2 | -84.9 | -3.7 | 111.5 | E56 D57 Q63 Q64 | E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.46Å; E56-R60 PolarHBondContact O-N 3.21Å; D57-R60 PolarHBondContact O-N 2.95Å; D57-R60 IonicContact OD1-NE 3.07Å; R60-Q63 PolarHBondContact O-N 3.34Å; R60-Q64 WeakPolarHBondContact O-CB 3.13Å; R60-Q64 VanDerWaalsContact O-CG 3.31Å; R60-Q64 WeakPolarHBondContact O-CG 3.38Å; R60-Q64 PolarHBondContact O-N 2.97Å |
| 61 | Q | 97.9 | Very high | 96 | Very high | 127 Ų | 127 | 109.1 Ų | 109.1 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 177.3 | -171.3 | -170.7 | 17 | 0 | 0 | 111.6 | D57 Q64 R65 | D57-Q61 VanDerWaalsContact O-CB 3.3Å; D57-Q61 WeakPolarHBondContact O-CB 3.44Å; D57-Q61 PolarHBondContact O-N 3.39Å; Q61-Q64 PolarHBondContact O-N 3.07Å; Q61-R65 WeakPolarHBondContact O-CB 3.48Å; Q61-R65 PolarHBondContact O-N 3.37Å |
| 62 | R | 96.9 | Very high | 95.5 | Very high | 157 Ų | 157 | 108.2 Ų | 108.2 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 175.7 | -73.6 | 171.3 | -175.2 | -165.1 | 4.7 | 111.7 | I58 H59 R65 N66 | I58-R62 VanDerWaalsContact CG2-NE 3.32Å; I58-R62 WeakPolarHBondContact O-CB 3.45Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 3.25Å; H59-R62 PolarHBondContact O-N 3.15Å; R62-R65 PolarHBondContact O-N 2.95Å; R62-N66 WeakPolarHBondContact O-CB 3.47Å; R62-N66 PolarHBondContact O-N 3.21Å |
| 63 | Q | 95.8 | Very high | 95 | Very high | 126 Ų | 126 | 105 Ų | 105 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 176 | -169.5 | -179.4 | 14.3 | 0 | 0 | 111.5 | H59 R60 R65 N66 N67 | H59-Q63 WeakPolarHBondContact O-CB 3.45Å; H59-Q63 PolarHBondContact O-N 3.26Å; R60-Q63 PolarHBondContact O-N 3.34Å; Q63-R65 PolarHBondContact O-N 3.27Å; Q63-N66 PolarHBondContact O-N 3.18Å; Q63-N67 WeakPolarHBondContact O-CB 3.46Å; Q63-N67 VanDerWaalsContact O-CG 3.27Å; Q63-N67 PolarHBondContact O-N 3.18Å; Q63-N67 PolarHBondContact O-ND2 3.39Å |
| 64 | Q | 95.1 | Very high | 94.4 | Very high | 119 Ų | 119 | 104.1 Ų | 104.1 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 174.2 | -74.3 | 171.6 | -13.4 | 0 | 0 | 112 | R60 Q61 N67 L68 | R60-Q64 WeakPolarHBondContact O-CB 3.13Å; R60-Q64 VanDerWaalsContact O-CG 3.31Å; R60-Q64 WeakPolarHBondContact O-CG 3.38Å; R60-Q64 PolarHBondContact O-N 2.97Å; Q61-Q64 PolarHBondContact O-N 3.07Å; Q64-N67 PolarHBondContact O-N 3.41Å; Q64-L68 WeakPolarHBondContact O-CB 3.49Å; Q64-L68 PolarHBondContact O-N 2.96Å |
| 65 | R | 95.2 | Very high | 94 | Very high | 159 Ų | 159 | 105.3 Ų | 105.3 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 176.3 | -170.3 | -176.2 | 71.2 | 93.8 | 0.5 | 112.1 | Q61 R62 Q63 L68 L69 | Q61-R65 WeakPolarHBondContact O-CB 3.48Å; Q61-R65 PolarHBondContact O-N 3.37Å; R62-R65 PolarHBondContact O-N 2.95Å; Q63-R65 PolarHBondContact O-N 3.27Å; R65-L68 PolarHBondContact O-N 3.41Å; R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 3.09Å |
| 66 | N | 93.3 | Very high | 93.4 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 177.4 | -177.6 | -102.2 | 0 | 0 | 0 | 111.8 | R62 Q63 L68 L69 N70 | R62-N66 WeakPolarHBondContact O-CB 3.47Å; R62-N66 PolarHBondContact O-N 3.21Å; Q63-N66 PolarHBondContact O-N 3.18Å; N66-L68 VanDerWaalsContact C-N 3.35Å; N66-L68 PolarHBondContact O-N 2.95Å; N66-L69 PolarHBondContact O-N 3.18Å; N66-N70 WeakPolarHBondContact O-CB 3.45Å; N66-N70 PolarHBondContact O-N 3.37Å |
| 67 | N | 92.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 112.4 Ų | 112.4 | 40% | 0.396 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 171.9 | -72.4 | -29.3 | 0 | 0 | 0 | 111.4 | Q63 Q64 N70 Y71 | Q63-N67 WeakPolarHBondContact O-CB 3.46Å; Q63-N67 VanDerWaalsContact O-CG 3.27Å; Q63-N67 PolarHBondContact O-N 3.18Å; Q63-N67 PolarHBondContact O-ND2 3.39Å; Q64-N67 PolarHBondContact O-N 3.41Å; N67-N70 WeakPolarHBondContact O-CB 3.26Å; N67-N70 PolarHBondContact O-N 3.46Å; N67-Y71 WeakPolarHBondContact O-CD2 3.44Å; N67-Y71 PolarHBondContact O-N 3.25Å |
| 68 | L | 93.8 | Very high | 91.6 | Very high | 122 Ų | 122 | 112.9 Ų | 112.9 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 178.7 | -174.1 | 65.2 | 0 | 0 | 0 | 112.1 | Q64 R65 N66 N70 Y71 E72 | Q64-L68 WeakPolarHBondContact O-CB 3.49Å; Q64-L68 PolarHBondContact O-N 2.96Å; R65-L68 PolarHBondContact O-N 3.41Å; N66-L68 VanDerWaalsContact C-N 3.35Å; N66-L68 PolarHBondContact O-N 2.95Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.33Å; L68-Y71 PolarHBondContact O-N 3.22Å; L68-E72 PolarHBondContact O-N 3.22Å |
| 69 | L | 90.7 | Very high | 90.6 | Very high | 76 Ų | 76 | 114.5 Ų | 114.5 | 40% | 0.398 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -34.3 | 174.7 | -73 | 168 | 0 | 0 | 0 | 112.5 | R65 N66 E72 A73 | R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 3.09Å; N66-L69 PolarHBondContact O-N 3.18Å; L69-E72 PolarHBondContact O-N 3.19Å; L69-A73 VanDerWaalsContact O-CB 3.31Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.49Å |
| 70 | N | 90.4 | Very high | 89.5 | Confident | 98 Ų | 98 | 110.9 Ų | 110.9 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 174.8 | -168.5 | 20.8 | 0 | 0 | 0 | 111.4 | N66 N67 L68 A73 M74 | N66-N70 WeakPolarHBondContact O-CB 3.45Å; N66-N70 PolarHBondContact O-N 3.37Å; N67-N70 WeakPolarHBondContact O-CB 3.26Å; N67-N70 PolarHBondContact O-N 3.46Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.33Å; N70-A73 PolarHBondContact O-N 3.18Å; N70-M74 WeakPolarHBondContact O-CB 3.29Å; N70-M74 PolarHBondContact O-N 3.28Å |
| 71 | Y | 89.3 | Confident | 88.4 | Confident | 151 Ų | 151 | 108.8 Ų | 108.8 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 171.3 | -79.8 | -67.5 | 0 | 0 | 0 | 112.3 | N67 L68 M74 L75 | N67-Y71 WeakPolarHBondContact O-CD2 3.44Å; N67-Y71 PolarHBondContact O-N 3.25Å; L68-Y71 PolarHBondContact O-N 3.22Å; Y71-M74 PolarHBondContact O-N 3.05Å; Y71-L75 WeakPolarHBondContact O-CD1 3.29Å; Y71-L75 PolarHBondContact O-N 3.19Å |
| 72 | E | 88.4 | Confident | 87.3 | Confident | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.4 | -167.3 | -169.5 | 156.3 | 0 | 0 | 111.4 | L68 L69 M74 L75 R76 | L68-E72 PolarHBondContact O-N 3.22Å; L69-E72 PolarHBondContact O-N 3.19Å; E72-M74 VanDerWaalsContact C-N 3.3Å; E72-M74 PolarHBondContact O-N 3.02Å; E72-L75 PolarHBondContact O-N 3.29Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-NH1 3.48Å; E72-R76 PolarHBondContact OE1-NH1 3.45Å |
| 73 | A | 88.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 105 Ų | 105 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L69 N70 R76 Q77 | L69-A73 VanDerWaalsContact O-CB 3.31Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.49Å; N70-A73 PolarHBondContact O-N 3.18Å; A73-R76 PolarHBondContact O-N 3.49Å; A73-Q77 WeakPolarHBondContact O-CG 3.4Å; A73-Q77 PolarHBondContact O-N 2.89Å |
| 74 | M | 86.5 | Confident | 85 | Confident | 98 Ų | 98 | 105.2 Ų | 105.2 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 174 | -171.3 | -170.9 | -58.3 | 0 | 0 | 111.8 | N70 Y71 E72 Q77 V78 | N70-M74 WeakPolarHBondContact O-CB 3.29Å; N70-M74 PolarHBondContact O-N 3.28Å; Y71-M74 PolarHBondContact O-N 3.05Å; E72-M74 VanDerWaalsContact C-N 3.3Å; E72-M74 PolarHBondContact O-N 3.02Å; M74-Q77 PolarHBondContact O-N 3.41Å; M74-V78 PolarHBondContact O-N 3.34Å |
| 75 | L | 88.8 | Confident | 83.8 | Confident | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.4 | -46.6 | 175.4 | -98.2 | 67.2 | 0 | 0 | 0 | 111.6 | Y71 E72 Q77 V78 D79 | Y71-L75 WeakPolarHBondContact O-CD1 3.29Å; Y71-L75 PolarHBondContact O-N 3.19Å; E72-L75 PolarHBondContact O-N 3.29Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 3.28Å; L75-V78 WeakPolarHBondContact O-CB 3.42Å; L75-V78 PolarHBondContact O-N 3.26Å; L75-D79 PolarHBondContact O-N 2.88Å |
| 76 | R | 86.5 | Confident | 82.2 | Confident | 166 Ų | 166 | 97.8 Ų | 97.8 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -30.6 | 178.4 | -64.9 | -172.4 | 95.1 | 105.4 | 6.5 | 113.2 | E72 A73 A80 | E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-NH1 3.48Å; E72-R76 PolarHBondContact OE1-NH1 3.45Å; A73-R76 PolarHBondContact O-N 3.49Å; R76-A80 WeakPolarHBondContact O-CB 3.14Å; R76-A80 PolarHBondContact O-N 3.02Å |
| 77 | Q | 81.8 | Confident | 80.5 | Confident | 141 Ų | 141 | 95 Ų | 95 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.4 | -38 | 172 | -76.5 | -177.4 | -0.4 | 0 | 0 | 112 | A73 M74 L75 A80 V81 | A73-Q77 WeakPolarHBondContact O-CG 3.4Å; A73-Q77 PolarHBondContact O-N 2.89Å; M74-Q77 PolarHBondContact O-N 3.41Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 3.28Å; Q77-A80 PolarHBondContact O-N 3.44Å; Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.44Å; Q77-V81 VanDerWaalsContact O-N 3.12Å |
| 78 | V | 78.6 | Confident | 78.8 | Confident | 83 Ų | 83 | 98 Ų | 98 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | M74 L75 A80 V81 D82 | M74-V78 PolarHBondContact O-N 3.34Å; L75-V78 WeakPolarHBondContact O-CB 3.42Å; L75-V78 PolarHBondContact O-N 3.26Å; V78-A80 VanDerWaalsContact C-N 3.27Å; V78-A80 PolarHBondContact O-N 3.33Å; V78-V81 PolarHBondContact O-N 2.92Å; V78-V81 VanDerWaalsContact O-N 3.07Å; V78-D82 PolarHBondContact O-N 3.29Å |
| 79 | D | 77.4 | Confident | 76.7 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | 178.2 | -66.3 | -29.1 | 0 | 0 | 0 | 112.4 | L75 T83 | L75-D79 PolarHBondContact O-N 2.88Å; D79-T83 WeakPolarHBondContact O-CB 3.5Å; D79-T83 PolarHBondContact O-N 3.1Å; D79-T83 PolarHBondContact O-OG1 2.89Å |
| 80 | A | 74.8 | Confident | 74.8 | Confident | 49 Ų | 49 | 105.6 Ų | 105.6 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R76 Q77 V78 T83 L84 | R76-A80 WeakPolarHBondContact O-CB 3.14Å; R76-A80 PolarHBondContact O-N 3.02Å; Q77-A80 PolarHBondContact O-N 3.44Å; V78-A80 VanDerWaalsContact C-N 3.27Å; V78-A80 PolarHBondContact O-N 3.33Å; A80-T83 PolarHBondContact O-N 2.97Å; A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 2.9Å |
| 81 | V | 74.3 | Confident | 72.6 | Confident | 86 Ų | 86 | 106 Ų | 106 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.7 | -41.2 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | Q77 V78 T83 L84 T85 | Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.44Å; Q77-V81 VanDerWaalsContact O-N 3.12Å; V78-V81 PolarHBondContact O-N 2.92Å; V78-V81 VanDerWaalsContact O-N 3.07Å; V81-T83 VanDerWaalsContact C-N 3.32Å; V81-T83 PolarHBondContact O-N 2.77Å; V81-L84 PolarHBondContact O-N 3.1Å; V81-T85 WeakPolarHBondContact O-CB 3.28Å; V81-T85 PolarHBondContact O-N 2.94Å; V81-T85 PolarHBondContact O-OG1 3.46Å |
| 82 | D | 74.8 | Confident | 70.6 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.1 | -39.6 | 174.1 | -88.8 | -8.5 | 0 | 0 | 0 | 111.6 | V78 T85 A86 | V78-D82 PolarHBondContact O-N 3.29Å; D82-T85 PolarHBondContact O-N 2.67Å; D82-A86 VanDerWaalsContact O-CB 3.32Å; D82-A86 WeakPolarHBondContact O-CB 3.28Å; D82-A86 PolarHBondContact O-N 2.86Å |
| 83 | T | 72.4 | Confident | 68 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -43 | 176.3 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | D79 A80 V81 G87 | D79-T83 WeakPolarHBondContact O-CB 3.5Å; D79-T83 PolarHBondContact O-N 3.1Å; D79-T83 PolarHBondContact O-OG1 2.89Å; A80-T83 PolarHBondContact O-N 2.97Å; V81-T83 VanDerWaalsContact C-N 3.32Å; V81-T83 PolarHBondContact O-N 2.77Å; T83-G87 PolarHBondContact O-N 2.88Å |
| 84 | L | 71.9 | Confident | 65.8 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 68% | 0.681 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.6 | -39.1 | 175.8 | -72.1 | 167.9 | 0 | 0 | 0 | 112.1 | A80 V81 G87 L88 | A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 2.9Å; V81-L84 PolarHBondContact O-N 3.1Å; L84-G87 PolarHBondContact O-N 2.78Å; L84-L88 PolarHBondContact O-N 2.95Å |
| 85 | T | 69.8 | Low | 63.5 | Low | 77 Ų | 77 | 107.3 Ų | 107.3 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.4 | -46.9 | 179.2 | -56 | 0 | 0 | 0 | 0 | 111.2 | V81 D82 G87 L88 E89 | V81-T85 WeakPolarHBondContact O-CB 3.28Å; V81-T85 PolarHBondContact O-N 2.94Å; V81-T85 PolarHBondContact O-OG1 3.46Å; D82-T85 PolarHBondContact O-N 2.67Å; T85-G87 VanDerWaalsContact C-N 3.27Å; T85-G87 PolarHBondContact O-N 3.01Å; T85-L88 WeakPolarHBondContact O-CB 3.43Å; T85-L88 PolarHBondContact O-N 3.44Å; T85-L88 VanDerWaalsContact O-N 3.14Å; T85-E89 PolarHBondContact O-N 3.35Å |
| 86 | A | 62.3 | Low | 61.5 | Low | 45 Ų | 45 | 107.5 Ų | 107.5 | 37% | 0.372 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.2 | -24.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D82 | D82-A86 VanDerWaalsContact O-CB 3.32Å; D82-A86 WeakPolarHBondContact O-CB 3.28Å; D82-A86 PolarHBondContact O-N 2.86Å |
| 87 | G | 57.9 | Low | 59.7 | Low | 42 Ų | 42 | 103.2 Ų | 103.2 | 43% | 0.433 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71.1 | -37.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T83 L84 T85 R90 S91 | T83-G87 PolarHBondContact O-N 2.88Å; L84-G87 PolarHBondContact O-N 2.78Å; T85-G87 VanDerWaalsContact C-N 3.27Å; T85-G87 PolarHBondContact O-N 3.01Å; G87-R90 PolarHBondContact O-N 2.9Å; G87-S91 PolarHBondContact O-N 3.09Å |
| 88 | L | 55.9 | Low | 58 | Low | 139 Ų | 139 | 104 Ų | 104 | 73% | 0.728 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.1 | -41.4 | 179.9 | -150.5 | 75.7 | 0 | 0 | 0 | 112 | L84 T85 R90 S91 | L84-L88 PolarHBondContact O-N 2.95Å; T85-L88 WeakPolarHBondContact O-CB 3.43Å; T85-L88 PolarHBondContact O-N 3.44Å; T85-L88 VanDerWaalsContact O-N 3.14Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.23Å; L88-S91 PolarHBondContact O-N 3.41Å |
| 89 | E | 50.4 | Low | 56.5 | Low | 151 Ų | 151 | 108.3 Ų | 108.3 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.1 | -33.4 | 177.9 | -64.4 | -160.1 | 146.6 | 0 | 0 | 112.9 | T85 S91 S92 | T85-E89 PolarHBondContact O-N 3.35Å; E89-S91 VanDerWaalsContact C-N 3.26Å; E89-S91 PolarHBondContact O-N 3.1Å; E89-S92 PolarHBondContact O-OG 3.02Å |
| 90 | R | 49.8 | Very low | 55 | Low | 206 Ų | 206 | 112.1 Ų | 112.1 | 78% | 0.777 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.8 | -14.1 | 175.4 | -113.8 | 176.9 | -77.3 | -155.8 | -4.2 | 113.9 | G87 L88 S92 | G87-R90 PolarHBondContact O-N 2.9Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.23Å; R90-S92 VanDerWaalsContact C-N 3.26Å; R90-S92 PolarHBondContact O-N 3.48Å |
| 91 | S | 45.8 | Very low | 53.5 | Low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 21.3 | 177.5 | -153.4 | 0 | 0 | 0 | 0 | 113.5 | G87 L88 E89 | G87-S91 PolarHBondContact O-N 3.09Å; L88-S91 PolarHBondContact O-N 3.41Å; E89-S91 VanDerWaalsContact C-N 3.26Å; E89-S91 PolarHBondContact O-N 3.1Å |
| 92 | S | 46.4 | Very low | 52.2 | Low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -6.1 | -175.7 | 66 | 0 | 0 | 0 | 0 | 115.4 | E89 R90 | E89-S92 PolarHBondContact O-OG 3.02Å; R90-S92 VanDerWaalsContact C-N 3.26Å; R90-S92 PolarHBondContact O-N 3.48Å |
| 93 | C | 34.3 | Very low | 50.8 | Low | 110 Ų | 110 | 119.9 Ų | 119.9 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -131 | 107.5 | 175.9 | 67.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 94 | G | 42 | Very low | 49.6 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | trans | 62.1 | 105.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 95 | T | 37.3 | Very low | 48.3 | Very low | 137 Ų | 137 | 120.3 Ų | 120.3 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | 162.8 | 96.8 | 98.2 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | A97 | T95-A97 PolarHBondContact O-N 3.39Š| |||
| 96 | A | 46.5 | Very low | 47.2 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 92% | 0.917 | 69% | 0.692 | S | S | * | * | trans | -84.9 | 89.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 97 | A | 49.4 | Very low | 46.4 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 63% | 0.628 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -173.3 | 145.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T95 | T95-A97 PolarHBondContact O-N 3.39Š|
| 98 | N | 46.2 | Very low | 46 | Very low | 158 Ų | 158 | 120.6 Ų | 120.6 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 59.6 | 60.3 | 168.3 | -67.3 | -4.3 | 0 | 0 | 0 | 118.2 | ||
| 99 | R | 46.9 | Very low | 45.7 | Very low | 174 Ų | 174 | 121.9 Ų | 121.9 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | trans | -126 | -20.8 | 158.3 | -166.7 | 169.2 | 172.3 | 144.6 | 1.1 | 115.3 | D101 E103 | R99-D101 PolarHBondContact O-N 3.22Å; R99-E103 IonicContact CZ-OE1 3.18Å; R99-E103 IonicContact NE-OE1 2.85Å; R99-E103 PolarHBondContact NE-OE1 3.12Å; R99-E103 IonicContact NE-OE2 3.23Å; R99-E103 PolarHBondContact NE-OE2 3.03Å; R99-E103 IonicContact NH2-OE1 2.68Å; R99-E103 PolarHBondContact NH2-OE1 3.29Å | ||
| 100 | Q | 45.7 | Very low | 45.6 | Very low | 178 Ų | 178 | 121.2 Ų | 121.2 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.4 | -24.1 | -171.2 | -71.5 | 179.3 | -43.8 | 0 | 0 | 115.6 | ||
| 101 | D | 43.6 | Very low | 45.4 | Very low | 152 Ų | 152 | 117.2 Ų | 117.2 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -89.2 | -10.7 | -176.2 | -70.2 | -33.4 | 0 | 0 | 0 | 115.3 | R99 | R99-D101 PolarHBondContact O-N 3.22Å |
| 102 | L | 46.6 | Very low | 45.3 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -100.8 | -31.4 | 178.3 | -81.8 | 150 | 0 | 0 | 0 | 112.5 | ||
| 103 | E | 45.7 | Very low | 45.2 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 47% | 0.472 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -73.4 | -33.5 | -177.2 | -139.4 | 144.7 | -135.6 | 0 | 0 | 111.9 | R99 K105 A106 A107 | R99-E103 IonicContact CZ-OE1 3.18Å; R99-E103 IonicContact NE-OE1 2.85Å; R99-E103 PolarHBondContact NE-OE1 3.12Å; R99-E103 IonicContact NE-OE2 3.23Å; R99-E103 PolarHBondContact NE-OE2 3.03Å; R99-E103 IonicContact NH2-OE1 2.68Å; R99-E103 PolarHBondContact NH2-OE1 3.29Å; E103-K105 PolarHBondContact O-N 3.21Å; E103-A106 PolarHBondContact O-N 3.15Å; E103-A107 PolarHBondContact O-N 3.27Å |
| 104 | A | 47.3 | Very low | 45.9 | Very low | 73 Ų | 73 | 120 Ų | 120 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.1 | -15.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 105 | K | 45.4 | Very low | 46 | Very low | 169 Ų | 169 | 122.7 Ų | 122.7 | 74% | 0.735 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -98.1 | -24.2 | -179.9 | -160.7 | 172 | -178.6 | -178.4 | 0 | 113.5 | E103 | E103-K105 PolarHBondContact O-N 3.21Å |
| 106 | A | 45.1 | Very low | 46.4 | Very low | 57 Ų | 57 | 118.9 Ų | 118.9 | 47% | 0.471 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.1 | -44 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E103 A108 E109 E110 | E103-A106 PolarHBondContact O-N 3.15Å; A106-A108 PolarHBondContact O-N 3.07Å; A106-A108 VanDerWaalsContact O-N 3.14Å; A106-E109 PolarHBondContact O-N 2.86Å; A106-E109 VanDerWaalsContact O-N 3.15Å; A106-E110 PolarHBondContact O-N 3.3Å |
| 107 | A | 47 | Very low | 46.5 | Very low | 43 Ų | 43 | 118.8 Ų | 118.8 | 36% | 0.355 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -57 | -32.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E103 Q111 | E103-A107 PolarHBondContact O-N 3.27Å; A107-Q111 WeakPolarHBondContact O-CG 3.46Å; A107-Q111 PolarHBondContact O-N 3.01Å; A107-Q111 VanDerWaalsContact O-N 3.15Å |
| 108 | A | 49.3 | Very low | 46.4 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.8 | -20.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | A106 | A106-A108 PolarHBondContact O-N 3.07Å; A106-A108 VanDerWaalsContact O-N 3.14Å |
| 109 | E | 49.4 | Very low | 46.4 | Very low | 166 Ų | 166 | 117.1 Ų | 117.1 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -92.4 | -32.2 | 170.9 | -78.8 | -171.8 | 148.7 | 0 | 0 | 111.8 | A106 K112 | A106-E109 PolarHBondContact O-N 2.86Å; A106-E109 VanDerWaalsContact O-N 3.15Å; E109-K112 PolarHBondContact O-N 3.01Å |
| 110 | E | 48.9 | Very low | 46.5 | Very low | 138 Ų | 138 | 116.2 Ų | 116.2 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.2 | -39.3 | -178.8 | -159.3 | 166 | -150.9 | 0 | 0 | 112.6 | A106 K112 H113 V114 | A106-E110 PolarHBondContact O-N 3.3Å; E110-K112 PolarHBondContact O-N 3.01Å; E110-H113 PolarHBondContact O-N 3.06Å; E110-H113 VanDerWaalsContact O-N 3.13Å; E110-V114 PolarHBondContact O-N 3.32Å |
| 111 | Q | 44.9 | Very low | 46.6 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.5 | -29.1 | 175.6 | -77.7 | -178.4 | -77.8 | 0 | 0 | 113.2 | A107 H113 E115 | A107-Q111 WeakPolarHBondContact O-CG 3.46Å; A107-Q111 PolarHBondContact O-N 3.01Å; A107-Q111 VanDerWaalsContact O-N 3.15Å; Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.06Å; Q111-E115 WeakPolarHBondContact O-CG 3.37Å; Q111-E115 PolarHBondContact O-N 3.31Å; Q111-E115 VanDerWaalsContact O-N 3.14Å |
| 112 | K | 44.2 | Very low | 46.8 | Very low | 170 Ų | 170 | 114.2 Ų | 114.2 | 74% | 0.739 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.6 | -11.9 | -179.4 | -146.9 | -175.1 | -178.1 | -172.5 | 0 | 114.1 | E109 E110 | E109-K112 PolarHBondContact O-N 3.01Å; E110-K112 PolarHBondContact O-N 3.01Å |
| 113 | H | 43.2 | Very low | 46.8 | Very low | 119 Ų | 119 | 114 Ų | 114 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -95.2 | -36.7 | 173.2 | -147.4 | -73.4 | 0 | 0 | 0 | 111.1 | E110 Q111 A116 E117 | E110-H113 PolarHBondContact O-N 3.06Å; E110-H113 VanDerWaalsContact O-N 3.13Å; Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.06Å; H113-A116 PolarHBondContact O-N 3.34Å; H113-E117 IonicContact CE1-OE1 3.72Å; H113-E117 PolarHBondContact CE1-OE1 3.1Å; H113-E117 IonicContact ND1-OE1 2.82Å; H113-E117 PolarHBondContact ND1-OE1 3.17Å; H113-E117 PolarHBondContact O-N 2.97Å |
| 114 | V | 49.8 | Very low | 46.9 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.9 | -36.3 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | E110 A116 E117 A118 | E110-V114 PolarHBondContact O-N 3.32Å; V114-A116 VanDerWaalsContact C-N 3.27Å; V114-A116 PolarHBondContact O-N 3.02Å; V114-E117 PolarHBondContact O-N 3.03Å; V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.36Å; V114-A118 PolarHBondContact O-N 3.2Å |
| 115 | E | 43.5 | Very low | 46.8 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66 | -29.6 | 173.7 | -74.2 | 178.5 | 163.2 | 0 | 0 | 112.4 | Q111 E119 | Q111-E115 WeakPolarHBondContact O-CG 3.37Å; Q111-E115 PolarHBondContact O-N 3.31Å; Q111-E115 VanDerWaalsContact O-N 3.14Å; E115-E119 PolarHBondContact O-N 3.47Å |
| 116 | A | 46.7 | Very low | 47.1 | Very low | 56 Ų | 56 | 122.2 Ų | 122.2 | 46% | 0.463 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.6 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H113 V114 | H113-A116 PolarHBondContact O-N 3.34Å; V114-A116 VanDerWaalsContact C-N 3.27Å; V114-A116 PolarHBondContact O-N 3.02Å |
| 117 | E | 46.8 | Very low | 47.2 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -76.3 | -31.2 | 176.8 | -70.7 | 175.1 | -173.4 | 0 | 0 | 112 | H113 V114 E120 E121 | H113-E117 IonicContact CE1-OE1 3.72Å; H113-E117 PolarHBondContact CE1-OE1 3.1Å; H113-E117 IonicContact ND1-OE1 2.82Å; H113-E117 PolarHBondContact ND1-OE1 3.17Å; H113-E117 PolarHBondContact O-N 2.97Å; V114-E117 PolarHBondContact O-N 3.03Å; E117-E120 PolarHBondContact O-N 2.74Å; E117-E121 PolarHBondContact O-N 3.21Å; E117-E121 VanDerWaalsContact O-N 3.16Å |
| 118 | A | 47.6 | Very low | 47 | Very low | 50 Ų | 50 | 133 Ų | 133 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70 | -36 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V114 E122 | V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.36Å; V114-A118 PolarHBondContact O-N 3.2Å; A118-E122 PolarHBondContact O-N 3.12Å |
| 119 | E | 47.6 | Very low | 47.1 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.7 | -32.4 | 174.4 | -74 | -174 | 169 | 0 | 0 | 112.1 | E115 E123 | E115-E119 PolarHBondContact O-N 3.47Å; E119-E123 PolarHBondContact O-N 2.96Å |
| 120 | E | 48.1 | Very low | 47.3 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.4 | -39.3 | 173.5 | -71.6 | -166.5 | 161.9 | 0 | 0 | 112.6 | E117 E124 | E117-E120 PolarHBondContact O-N 2.74Å; E120-E124 PolarHBondContact O-N 3.29Å |
| 121 | E | 48.9 | Very low | 47.3 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.673 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.8 | -36.8 | 177 | -74.2 | -163.9 | 155.8 | 0 | 0 | 113.6 | E117 E124 Y125 | E117-E121 PolarHBondContact O-N 3.21Å; E117-E121 VanDerWaalsContact O-N 3.16Å; E121-E124 PolarHBondContact O-N 3.44Å; E121-Y125 PolarHBondContact O-N 2.8Å |
| 122 | E | 47.3 | Very low | 47.4 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 67% | 0.668 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.5 | -35.4 | 176 | -76.3 | -156.9 | 154 | 0 | 0 | 112.6 | A118 E124 Y125 L126 | A118-E122 PolarHBondContact O-N 3.12Å; E122-E124 VanDerWaalsContact C-N 3.35Å; E122-Y125 PolarHBondContact O-N 2.95Å; E122-L126 WeakPolarHBondContact O-CB 3.45Å; E122-L126 PolarHBondContact O-N 3.48Å |
| 123 | E | 47.2 | Very low | 47.3 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.9 | -33 | 171.5 | -79.1 | -152.3 | 172.2 | 0 | 0 | 112.6 | E119 R127 | E119-E123 PolarHBondContact O-N 2.96Å; E123-R127 WeakPolarHBondContact O-CB 3.38Å; E123-R127 PolarHBondContact O-N 3.19Å |
| 124 | E | 46.1 | Very low | 47.5 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.2 | -39.7 | 173.9 | -172.6 | 162.7 | -159.2 | 0 | 0 | 111.8 | E120 E121 E122 R127 | E120-E124 PolarHBondContact O-N 3.29Å; E121-E124 PolarHBondContact O-N 3.44Å; E122-E124 VanDerWaalsContact C-N 3.35Å; E124-R127 PolarHBondContact O-N 3.42Å |
| 125 | Y | 46.3 | Very low | 47.2 | Very low | 221 Ų | 221 | 143.8 Ų | 143.8 | 87% | 0.867 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.8 | -26.1 | 178.8 | -110.8 | -92.6 | 0 | 0 | 0 | 114.7 | E121 E122 | E121-Y125 PolarHBondContact O-N 2.8Å; E122-Y125 PolarHBondContact O-N 2.95Å |
| 126 | L | 51.3 | Low | 47.1 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -84.1 | -11.4 | 172.8 | -85.1 | 158.1 | 0 | 0 | 0 | 113.5 | E122 M128 | E122-L126 WeakPolarHBondContact O-CB 3.45Å; E122-L126 PolarHBondContact O-N 3.48Å; L126-M128 PolarHBondContact O-N 2.97Å |
| 127 | R | 46.6 | Very low | 47 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 64% | 0.638 | 71% | 0.711 | S | S | * | * | trans | -77 | 89.8 | 179.1 | -164 | 179.5 | -134.5 | 118.8 | 5.3 | 111.6 | E123 E124 | E123-R127 WeakPolarHBondContact O-CB 3.38Å; E123-R127 PolarHBondContact O-N 3.19Å; E124-R127 PolarHBondContact O-N 3.42Å | ||
| 128 | M | 43.6 | Very low | 47.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 78% | 0.778 | 71% | 0.713 | S | S | * | * | trans | -44.2 | 127 | 163.5 | -82 | -68.9 | -65.8 | 0 | 0 | 110.5 | L126 E130 | L126-M128 PolarHBondContact O-N 2.97Å; M128-E130 PolarHBondContact O-N 2.97Å | ||
| 129 | P | 50.3 | Low | 47.3 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | trans | -59.6 | 102.7 | -176.8 | -28.7 | 36.1 | 0 | 0 | 0 | 113 | R131 | P129-R131 PolarHBondContact O-N 3.47Š| ||
| 130 | E | 54.5 | Low | 47.5 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -72.8 | 60.7 | 172.9 | -74.1 | -166.7 | 119.7 | 0 | 0 | 111.7 | M128 | M128-E130 PolarHBondContact O-N 2.97Š|
| 131 | R | 48.9 | Very low | 47.5 | Very low | 231 Ų | 231 | 149.2 Ų | 149.2 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | trans | -168.3 | 64.6 | 163.5 | -104.4 | 152.7 | -161.6 | -172.6 | 7.6 | 110.8 | P129 G133 | P129-R131 PolarHBondContact O-N 3.47Å; R131-G133 PolarHBondContact O-N 3.28Å | ||
| 132 | L | 46.4 | Very low | 47.6 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 95% | 0.948 | 72% | 0.717 | S | S | * | * | trans | -71.2 | 69.6 | 150.5 | -137.2 | 81.8 | 0 | 0 | 0 | 108.7 | ||||
| 133 | G | 41.9 | Very low | 47.5 | Very low | 40 Ų | 40 | 144.8 Ų | 144.8 | 41% | 0.412 | 72% | 0.715 | S | S | . | * | trans | -65.5 | 142.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R131 H135 | R131-G133 PolarHBondContact O-N 3.28Å; G133-H135 PolarHBondContact O-N 3.47Å | ||
| 134 | H | 48.5 | Very low | 47.4 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 86% | 0.861 | 72% | 0.716 | S | S | * | * | trans | -55.1 | 101.7 | 177.6 | -89.2 | -76.9 | 0 | 0 | 0 | 111.5 | E136 | H134-E136 PolarHBondContact O-N 3.49Š| ||
| 135 | H | 43 | Very low | 47.3 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | trans | -84.5 | 76.3 | 156.1 | -62 | -57.3 | 0 | 0 | 0 | 107.6 | G133 C137 | G133-H135 PolarHBondContact O-N 3.47Å; H135-C137 PolarHBondContact O-N 2.89Å; H135-C137 VanDerWaalsContact O-N 3.07Å | ||
| 136 | E | 42.4 | Very low | 47.5 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | -68.9 | 97.3 | 171.7 | -173.7 | 168.9 | -139.1 | 0 | 0 | 108.1 | H134 P138 | H134-E136 PolarHBondContact O-N 3.49Å; E136-P138 WeakPolarHBondContact O-CD 3.5Å; E136-P138 VanDerWaalsContact O-N 3.17Å | ||
| 137 | C | 43.1 | Very low | 47.5 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 63% | 0.628 | 71% | 0.705 | S | S | * | * | trans | -68.5 | 103.4 | 178.4 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | H135 H139 | H135-C137 PolarHBondContact O-N 2.89Å; H135-C137 VanDerWaalsContact O-N 3.07Å; C137-H139 PolarHBondContact O-N 3.41Å; C137-H139 VanDerWaalsContact O-N 3.15Å | ||
| 138 | P | 51.7 | Low | 47.5 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | 9.6 | -162.8 | 35.6 | -32.3 | 0 | 0 | 0 | 113.3 | E136 | E136-P138 WeakPolarHBondContact O-CD 3.5Å; E136-P138 VanDerWaalsContact O-N 3.17Å |
| 139 | H | 49.1 | Very low | 47.4 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 3.1 | -169.7 | -59 | -45.6 | 0 | 0 | 0 | 114.5 | C137 | C137-H139 PolarHBondContact O-N 3.41Å; C137-H139 VanDerWaalsContact O-N 3.15Å |
| 140 | L | 52 | Low | 46.9 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -105.7 | -4.5 | 178.2 | -71 | 171.1 | 0 | 0 | 0 | 113.8 | ||
| 141 | L | 48.8 | Very low | 46.1 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -107 | -22.3 | 178.9 | -104.2 | 67.7 | 0 | 0 | 0 | 114.1 | D143 | L141-D143 PolarHBondContact O-N 3.03Š|
| 142 | T | 50.8 | Low | 45.6 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 49% | 0.485 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -63.2 | -29.8 | -178.9 | 44.2 | 0 | 0 | 0 | 0 | 113.4 | F144 | T142-F144 VanDerWaalsContact C-N 3.32Å; T142-F144 PolarHBondContact O-N 2.86Å |
| 143 | D | 44.3 | Very low | 45.1 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -82.3 | -13.4 | -168.3 | -62.9 | 12.4 | 0 | 0 | 0 | 112.5 | L141 | L141-D143 PolarHBondContact O-N 3.03Å |
| 144 | F | 45.6 | Very low | 44.9 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -96.7 | -21.9 | 177.6 | -71.1 | -78.2 | 0 | 0 | 0 | 113.8 | T142 | T142-F144 VanDerWaalsContact C-N 3.32Å; T142-F144 PolarHBondContact O-N 2.86Å |
| 145 | E | 44.8 | Very low | 44.5 | Very low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -75.5 | -33.2 | -179.9 | -165.4 | 168.5 | -159.1 | 0 | 0 | 112.2 | V147 L148 T149 | E145-V147 PolarHBondContact O-N 3.07Å; E145-L148 PolarHBondContact O-N 3.34Å; E145-T149 PolarHBondContact O-OG1 3.35Å; E145-T149 VanDerWaalsContact O-OG1 3.09Å |
| 146 | A | 51.1 | Low | 44 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -12.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 147 | V | 50.4 | Low | 43.8 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -15.3 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | E145 | E145-V147 PolarHBondContact O-N 3.07Š|
| 148 | L | 46.8 | Very low | 43.4 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -6.4 | -175.8 | -68.1 | 177.5 | 0 | 0 | 0 | 114.8 | E145 F150 | E145-L148 PolarHBondContact O-N 3.34Å; L148-F150 PolarHBondContact O-N 2.88Å |
| 149 | T | 41.3 | Very low | 42.8 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | trans | -92.3 | 94.4 | 172.4 | 24.9 | 0 | 0 | 0 | 0 | 112.2 | E145 | E145-T149 PolarHBondContact O-OG1 3.35Å; E145-T149 VanDerWaalsContact O-OG1 3.09Å | ||
| 150 | F | 39.2 | Very low | 42.3 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -60.8 | 130.5 | 159.5 | -84.6 | -88.4 | 0 | 0 | 0 | 109.7 | L148 Q152 | L148-F150 PolarHBondContact O-N 2.88Å; F150-Q152 PolarHBondContact O-N 3.09Å | ||
| 151 | P | 37.3 | Very low | 41.4 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | -68.1 | 97.9 | 178.7 | -21.1 | 33.3 | 0 | 0 | 0 | 112.1 | ||||
| 152 | Q | 40 | Very low | 40.6 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -85.2 | 125.2 | 170.7 | -157.9 | 174.3 | 21.8 | 0 | 0 | 110 | F150 | F150-Q152 PolarHBondContact O-N 3.09Š| ||
| 153 | K | 35.8 | Very low | 39.9 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 65.9 | 101.3 | 178.7 | -77.7 | 176.1 | 168.8 | 174.1 | 0 | 117.6 | ||||
| 154 | L | 37.9 | Very low | 39.4 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 98% | 0.979 | 81% | 0.807 | S | S | * | * | -90.2 | 102.5 | 127.1 | -82.9 | 167.9 | 0 | 0 | 0 | 108.6 | |||||
| 155 | A | 38.8 | Very low | 38.7 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -107.7 | 103 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 156 | G | 33.9 | Very low | 38.4 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -149.7 | 43.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 157 | G | 37.1 | Very low | 37.6 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 83% | 0.833 | S | S | * | * | trans | 60.6 | 102.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 158 | M | 34.3 | Very low | 37.1 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 96% | 0.956 | 84% | 0.837 | S | S | * | * | trans | -136.7 | 117.1 | 143.8 | -72.7 | -166.3 | 77.9 | 0 | 0 | 110.1 | ||||
| 159 | H | 39.4 | Very low | 36.4 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 84% | 0.843 | S | S | * | * | trans | -87.6 | 137.6 | 173.1 | -58.6 | -102.1 | 0 | 0 | 0 | 110.1 | ||||
| 160 | K | 38 | Very low | 36 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | trans | -176.7 | 108.8 | 136.2 | -100.1 | 155.8 | -172.1 | -177.6 | 0 | 112.9 | ||||
| 161 | S | 34.2 | Very low | 35.7 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | trans | 13.8 | 127.5 | 147.5 | -43.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 162 | A | 32 | Very low | 35.5 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 88% | 0.876 | 85% | 0.845 | S | S | * | * | -154.4 | 122.5 | 126.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 163 | S | 35.5 | Very low | 35 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -117.9 | 130.5 | 174.2 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 164 | T | 35 | Very low | 34.9 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 93% | 0.933 | 85% | 0.845 | S | S | * | * | trans | -173.5 | 137.1 | 147.6 | 45.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 165 | G | 30.4 | Very low | 34.5 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | cis | 169.7 | 132.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 166 | A | 38.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | trans | -91.4 | 137.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 167 | A | 33.2 | Very low | 35 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 90% | 0.901 | 84% | 0.843 | S | S | * | * | trans | -148.5 | 139.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 168 | A | 39.5 | Very low | 34.7 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 79% | 0.793 | 84% | 0.842 | S | S | * | * | trans | -123.6 | 147.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 169 | D | 33.6 | Very low | 34.5 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | -175.1 | 130.7 | 137.7 | -112.7 | -27.8 | 0 | 0 | 0 | 107.7 | ||||
| 170 | G | 31.8 | Very low | 34 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | 102.5 | 143.5 | 98.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 171 | E | 32.6 | Very low | 33.9 | Very low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | cis | -164.4 | 154.5 | 10.2 | -173.6 | -134.6 | 140.9 | 0 | 0 | 109 | ||||
| 172 | A | 33.5 | Very low | 34.5 | Very low | 92 Ų | 92 | 119.6 Ų | 119.6 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | 54.8 | 146.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 173 | G | 30.3 | Very low | 34.5 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | cis | 171.8 | 167.6 | 0.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 174 | L | 33.4 | Very low | 34.1 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | cis | -146.8 | -176.3 | 5 | -71.6 | 169.9 | 0 | 0 | 0 | 109 | ||||
| 175 | G | 29.4 | Very low | 33.9 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -105.1 | -144.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 176 | P | 51.2 | Low | 33.7 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | -135.2 | 155.3 | -89 | 38.8 | -25.8 | 0 | 0 | 0 | 115.8 | |||||
| 177 | L | 32.3 | Very low | 33.3 | Very low | 184 Ų | 184 | 129.5 Ų | 129.5 | 96% | 0.963 | 79% | 0.792 | S | S | * | * | trans | -149.7 | 152.9 | 165 | -66.7 | 174.7 | 0 | 0 | 0 | 108.2 | ||||
| 178 | G | 29.5 | Very low | 33 | Very low | 64 Ų | 64 | 127.9 Ų | 127.9 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 130.3 | 101.9 | 2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 179 | L | 31.8 | Very low | 32.7 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | 58.5 | 118.7 | 161.9 | -65.8 | 154.4 | 0 | 0 | 0 | 119.5 | ||||
| 180 | H | 28.1 | Very low | 32.5 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | -172.2 | 140 | 112.7 | -131 | -105.9 | 0 | 0 | 0 | 114.6 | |||||
| 181 | A | 35.4 | Very low | 32.6 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -130.6 | 149.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 182 | P | 47.8 | Very low | 32.6 | Very low | 93 Ų | 93 | 126 Ų | 126 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | -157.4 | 166.7 | 102 | 39.4 | -20.4 | 0 | 0 | 0 | 116.7 | |||||
| 183 | Y | 31.3 | Very low | 32.4 | Very low | 194 Ų | 194 | 126.3 Ų | 126.3 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | 50.9 | 154.8 | 146.5 | 104.4 | -34.8 | 0 | 0 | 0 | 121.5 | ||||
| 184 | E | 27.2 | Very low | 32.6 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | cis | -146.4 | 161.8 | 18.2 | -155 | 168.8 | -133.7 | 0 | 0 | 116 | ||||
| 185 | V | 30.2 | Very low | 32.3 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | trans | -57.9 | 144.5 | 172.1 | 167.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 186 | K | 27.5 | Very low | 32.5 | Very low | 211 Ų | 211 | 126.7 Ų | 126.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | -151 | 134.6 | 126.3 | -157.6 | 139 | -172.7 | 170.9 | 0 | 114.6 | |||||
| 187 | S | 29.4 | Very low | 31.7 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -108.8 | 165.9 | -170.3 | -42.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 188 | G | 27.1 | Very low | 31.4 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 176.5 | 80.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 189 | S | 34.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | 68.6 | 116.8 | 64.1 | -162.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 190 | G | 27.5 | Very low | 31.4 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -177.8 | 74.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 191 | S | 35.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -97.1 | -165.8 | -175.2 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 192 | L | 32 | Very low | 31.2 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 92 | 134.9 | 175 | -48.6 | 174.7 | 0 | 0 | 0 | 114.1 | ||||
| 193 | A | 30.2 | Very low | 30.4 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -147.4 | 165.3 | 8.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 194 | S | 33.7 | Very low | 30.2 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -74.3 | 161.3 | 179.6 | -47.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 195 | G | 28.2 | Very low | 30.3 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -154.4 | 128.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 196 | S | 31.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 113.8 Ų | 113.8 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | trans | -100.5 | 165.6 | -164.6 | -59.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 197 | A | 34.3 | Very low | 31 | Very low | 103 Ų | 103 | 110 Ų | 110 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -44.9 | 154.8 | -180 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 198 | S | 27.8 | Very low | 31.5 | Very low | 129 Ų | 129 | 108.5 Ų | 108.5 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -153.3 | 172.1 | 148.9 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 199 | V | 30.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | -109.5 | 163.7 | -154.4 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 200 | S | 29.7 | Very low | 32.3 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -55.5 | 151.6 | -178.9 | -34.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 201 | T | 29.2 | Very low | 33.2 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | -168.3 | 130.7 | 120.2 | 26.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 202 | S | 30.1 | Very low | 33.6 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | 35.3 | 116 | 146.9 | 63 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 203 | A | 30.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | -161 | 150.6 | 121.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 204 | G | 28.3 | Very low | 35 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -90.6 | 164.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 205 | G | 29 | Very low | 35.1 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | 160.2 | 117.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 206 | A | 31.7 | Very low | 35.8 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | trans | -75.8 | 134 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A208 | A206-A208 PolarHBondContact O-N 3.3Š| ||
| 207 | P | 41.1 | Very low | 35.9 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -75 | 109.1 | 168.1 | 29.9 | -30.5 | 0 | 0 | 0 | 108.8 | ||||
| 208 | A | 39.7 | Very low | 36.1 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 60% | 0.595 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 138 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A206 N210 | A206-A208 PolarHBondContact O-N 3.3Å; A208-N210 PolarHBondContact O-N 3.11Å; A208-N210 PolarHBondContact O-ND2 3.25Å | ||
| 209 | D | 39.1 | Very low | 36.5 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -50 | 123.5 | 164.5 | -76.2 | -55.4 | 0 | 0 | 0 | 110.4 | ||||
| 210 | N | 40.1 | Very low | 36.9 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -146.9 | 48.2 | -179.7 | -95.6 | -80.8 | 0 | 0 | 0 | 112.4 | A208 | A208-N210 PolarHBondContact O-N 3.11Å; A208-N210 PolarHBondContact O-ND2 3.25Å | ||
| 211 | D | 44.8 | Very low | 37.2 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -128.2 | 23.4 | 177.9 | -87.5 | -44.8 | 0 | 0 | 0 | 113.6 | ||
| 212 | I | 43.4 | Very low | 37.4 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -129.8 | 6 | -175.4 | -115.4 | 167.7 | 0 | 0 | 0 | 116.5 | ||
| 213 | E | 47.2 | Very low | 37.4 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -115.1 | 26.5 | 178.8 | -65.6 | -164.2 | 173.8 | 0 | 0 | 115.5 | W215 | E213-W215 PolarHBondContact O-N 3.48Š| ||
| 214 | Q | 45.4 | Very low | 37.5 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -75.2 | 64.4 | 166.5 | -72.7 | -167.8 | 2.1 | 0 | 0 | 112.3 | ||||
| 215 | W | 35 | Very low | 37.6 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 138.9 | 163.6 | -68.4 | 74.6 | 0 | 0 | 0 | 109.4 | E213 E217 | E213-W215 PolarHBondContact O-N 3.48Å; W215-E217 PolarHBondContact O-N 2.9Å | ||
| 216 | T | 43.4 | Very low | 37.7 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -70.5 | 91.8 | 178.9 | -43.4 | 0 | 0 | 0 | 0 | 110.3 | I218 | T216-I218 PolarHBondContact O-N 2.98Š| ||
| 217 | E | 35 | Very low | 37.6 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 59% | 0.589 | 79% | 0.788 | S | S | * | * | trans | -65.4 | 100.7 | -179.8 | -168.7 | -171.4 | -178.7 | 0 | 0 | 111.3 | W215 R219 | W215-E217 PolarHBondContact O-N 2.9Å; E217-R219 HydrophobicContact CG-CG 4.31Å; E217-R219 PolarHBondContact O-N 3.41Å; E217-R219 IonicContact OE1-CZ 3.02Å; E217-R219 IonicContact OE1-NE 3.47Å; E217-R219 PolarHBondContact OE1-NE 2.91Å; E217-R219 IonicContact OE1-NH1 3.55Å; E217-R219 IonicContact OE1-NH2 2.67Å; E217-R219 PolarHBondContact OE1-NH2 3.3Å; E217-R219 IonicContact OE2-CZ 3.03Å; E217-R219 IonicContact OE2-NH1 2.69Å; E217-R219 PolarHBondContact OE2-NH1 3.25Å; E217-R219 IonicContact OE2-NH2 2.97Å; E217-R219 PolarHBondContact OE2-NH2 2.96Å | ||
| 218 | I | 36.8 | Very low | 36.9 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 89 | 174.1 | -54.3 | 177.7 | 0 | 0 | 0 | 108.8 | T216 L220 | T216-I218 PolarHBondContact O-N 2.98Å; I218-L220 HydrophobicContact CG2-CD2 4.41Å; I218-L220 PolarHBondContact O-N 2.9Å | ||
| 219 | R | 37.9 | Very low | 36.3 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -69.6 | 98.7 | 168 | -76.2 | -164.5 | 165.3 | 85 | 13.9 | 110.5 | E217 S221 | E217-R219 HydrophobicContact CG-CG 4.31Å; E217-R219 PolarHBondContact O-N 3.41Å; E217-R219 IonicContact OE1-CZ 3.02Å; E217-R219 IonicContact OE1-NE 3.47Å; E217-R219 PolarHBondContact OE1-NE 2.91Å; E217-R219 IonicContact OE1-NH1 3.55Å; E217-R219 IonicContact OE1-NH2 2.67Å; E217-R219 PolarHBondContact OE1-NH2 3.3Å; E217-R219 IonicContact OE2-CZ 3.03Å; E217-R219 IonicContact OE2-NH1 2.69Å; E217-R219 PolarHBondContact OE2-NH1 3.25Å; E217-R219 IonicContact OE2-NH2 2.97Å; E217-R219 PolarHBondContact OE2-NH2 2.96Å; R219-S221 PolarHBondContact O-N 3.28Å | ||
| 220 | L | 38.2 | Very low | 35.9 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -66 | 118.7 | 165.3 | -67.6 | 173.7 | 0 | 0 | 0 | 108.9 | I218 H222 | I218-L220 HydrophobicContact CG2-CD2 4.41Å; I218-L220 PolarHBondContact O-N 2.9Å; L220-H222 PolarHBondContact O-N 3.25Å; L220-H222 VanDerWaalsContact O-N 3.07Å | ||
| 221 | S | 36.3 | Very low | 35.4 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -69 | 105.4 | 178.3 | -44.4 | 0 | 0 | 0 | 0 | 110.4 | R219 S223 | R219-S221 PolarHBondContact O-N 3.28Å; S221-S223 PolarHBondContact O-N 3.07Å | ||
| 222 | H | 32.3 | Very low | 35 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -63.7 | 124.2 | 162.2 | -66 | -78 | 0 | 0 | 0 | 108.2 | L220 | L220-H222 PolarHBondContact O-N 3.25Å; L220-H222 VanDerWaalsContact O-N 3.07Å | ||
| 223 | S | 31.2 | Very low | 34.4 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 118.6 | 171.5 | -59.8 | 0 | 0 | 0 | 0 | 109 | S221 S225 | S221-S223 PolarHBondContact O-N 3.07Å; S223-S225 PolarHBondContact O-N 3.06Å; S223-S225 VanDerWaalsContact O-N 3.1Å | ||
| 224 | D | 32.9 | Very low | 33.6 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -58.6 | 113 | 176.4 | -62.8 | -60.3 | 0 | 0 | 0 | 110.6 | T226 | D224-T226 PolarHBondContact O-N 2.86Š| ||
| 225 | S | 29.6 | Very low | 33 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -89.2 | 100.1 | 172 | -65.2 | 0 | 0 | 0 | 0 | 109 | S223 S227 | S223-S225 PolarHBondContact O-N 3.06Å; S223-S225 VanDerWaalsContact O-N 3.1Å; S225-S227 PolarHBondContact O-N 2.98Å | ||
| 226 | T | 30.1 | Very low | 33 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -68.6 | 127.8 | 172.6 | 38.7 | 0 | 0 | 0 | 0 | 111 | D224 | D224-T226 PolarHBondContact O-N 2.86Š| ||
| 227 | S | 30.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -56.6 | 147.2 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 113.9 | S225 | S225-S227 PolarHBondContact O-N 2.98Š| ||
| 228 | S | 26.4 | Very low | 32.4 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -144.5 | 130.1 | 147.6 | -155.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 229 | S | 27.9 | Very low | 32.1 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | trans | -102.5 | -177.4 | -174.7 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 230 | Y | 28.8 | Very low | 31.6 | Very low | 229 Ų | 229 | 138 Ų | 138 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | 83.1 | 139.6 | 178.1 | -61.6 | -84.9 | 0 | 0 | 0 | 115.6 | ||||
| 231 | S | 30.4 | Very low | 31.5 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | cis | -163.8 | 156.5 | -20.5 | -162.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 232 | N | 36.6 | Very low | 31.3 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -86.4 | 126.9 | 170 | -88.9 | -89.4 | 0 | 0 | 0 | 111.1 | ||||
| 233 | Q | 30.3 | Very low | 31.3 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -168.3 | 127.1 | 150.1 | -154.8 | 142 | 85.2 | 0 | 0 | 113.8 | ||||
| 234 | S | 30 | Very low | 31.5 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 57.1 | 168.7 | 149 | -73.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 235 | L | 34.1 | Very low | 31.5 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | cis | -167.9 | 157.7 | -28.8 | 173 | 64.9 | 0 | 0 | 0 | 105.3 | ||||
| 236 | L | 34.7 | Very low | 31.6 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | -1.1 | 160 | 159.6 | -137.2 | 73.5 | 0 | 0 | 0 | 122.5 | ||||
| 237 | E | 34.8 | Very low | 32 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 100.3 | 122.1 | 170.4 | -74.8 | 156.7 | 99.5 | 0 | 0 | 116.1 | ||||
| 238 | Q | 31.6 | Very low | 32.2 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | cis | 97.1 | 117.4 | 25.3 | -168.5 | 164.5 | 4.5 | 0 | 0 | 114.8 | ||||
| 239 | Q | 30.2 | Very low | 32.7 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 76.5 | 155 | 160.1 | -76.3 | 166.2 | -0.7 | 0 | 0 | 121.2 | ||||
| 240 | G | 27.7 | Very low | 33 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | trans | 107.3 | 104.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 241 | L | 34.4 | Very low | 33.1 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | 52 | 122 | 50.5 | -49.9 | 178.8 | 0 | 0 | 0 | 110 | |||||
| 242 | D | 32 | Very low | 33.1 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | -150.8 | 173.1 | 54.9 | -83.7 | -50.7 | 0 | 0 | 0 | 116.5 | |||||
| 243 | S | 33 | Very low | 32.9 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -78.7 | 155.6 | -178.9 | -61.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 244 | T | 36 | Very low | 32.9 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | 170.7 | 138.2 | 127.7 | 31.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 245 | G | 31.6 | Very low | 33.2 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 174 | 147.5 | -11.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 246 | G | 33.1 | Very low | 33.2 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 75 | 155.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 247 | M | 37 | Very low | 33.1 | Very low | 185 Ų | 185 | 130 Ų | 130 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | cis | -153.1 | 150.2 | -0.7 | -52.1 | 177.7 | 100.9 | 0 | 0 | 110.4 | ||||
| 248 | S | 36.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | 25 | 118 | 147.6 | -177.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 249 | G | 35.8 | Very low | 33 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 117.5 | 157.9 | 52.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 250 | G | 34.5 | Very low | 33.4 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | 175.2 | 171.1 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 251 | L | 31.2 | Very low | 33.6 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | trans | 70.9 | 135.6 | 155 | -52.6 | 177.5 | 0 | 0 | 0 | 122 | ||||
| 252 | G | 31.2 | Very low | 33.7 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 127.5 | 85.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 253 | L | 32.3 | Very low | 33.6 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | 43.8 | 117.6 | 65.4 | -67.7 | 170.2 | 0 | 0 | 0 | 112.8 | |||||
| 254 | G | 30.5 | Very low | 33.8 | Very low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | 172.7 | -169.3 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 255 | L | 35.7 | Very low | 33.6 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | 73.2 | 106.7 | 177.2 | -53.8 | 167.3 | 0 | 0 | 0 | 115.1 | ||||
| 256 | A | 32.7 | Very low | 33.5 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | 100 | 120.2 | 43.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 257 | R | 33.8 | Very low | 33.4 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | 170.1 | 108.6 | 113.1 | -172 | 168.7 | -175 | 171.7 | -1.1 | 113.7 | |||||
| 258 | N | 34 | Very low | 33 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 57.7 | 139.4 | 149.1 | -48.4 | 3.1 | 0 | 0 | 0 | 118.5 | ||||
| 259 | H | 30.4 | Very low | 32.7 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | 178.1 | 118.3 | 57.4 | 176.3 | -86.7 | 0 | 0 | 0 | 113 | |||||
| 260 | L | 38.9 | Very low | 32.6 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | 56.3 | 143 | 159.8 | -50.5 | -173.7 | 0 | 0 | 0 | 119.7 | ||||
| 261 | D | 32.2 | Very low | 32.4 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | cis | -160.9 | 167.9 | -18.9 | -133.4 | -42.2 | 0 | 0 | 0 | 110.4 | ||||
| 262 | A | 36.4 | Very low | 32.7 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | -1 | 131.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 263 | D | 29.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | cis | 62.7 | 136.2 | 45.9 | -120.4 | -13.3 | 0 | 0 | 0 | 113.9 | ||||
| 264 | A | 36.6 | Very low | 33.1 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -162.5 | 176.8 | 14.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 265 | Q | 30.9 | Very low | 33.5 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | 92.6 | 104.7 | 154.2 | -57.2 | -163.3 | -34 | 0 | 0 | 123.1 | ||||
| 266 | S | 30.4 | Very low | 33.9 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 59% | 0.587 | 76% | 0.761 | S | S | * | * | 154.2 | 93.5 | 122.6 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | H268 | S266-H268 PolarHBondContact OG-CE1 2.9Å; S266-H268 PolarHBondContact OG-NE2 2.67Å | |||
| 267 | Q | 31.7 | Very low | 34.4 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | 56 | 74.7 | 69.7 | -65.1 | -68 | 1.6 | 0 | 0 | 116.3 | |||||
| 268 | H | 28.5 | Very low | 34.7 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | trans | -133.5 | 125.2 | 157.6 | -56.8 | -64.9 | 0 | 0 | 0 | 110.9 | S266 | S266-H268 PolarHBondContact OG-CE1 2.9Å; S266-H268 PolarHBondContact OG-NE2 2.67Å | ||
| 269 | S | 29.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -80.2 | 145.5 | -165.3 | -50.4 | 0 | 0 | 0 | 0 | 114.4 | S271 | S269-S271 PolarHBondContact O-N 3.47Å; S269-S271 VanDerWaalsContact O-N 3.12Å | ||
| 270 | T | 34.4 | Very low | 35.2 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 92% | 0.92 | 78% | 0.776 | S | S | * | * | trans | -71.4 | 98.1 | 162.5 | 51.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 271 | S | 30 | Very low | 35.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -106.8 | 116.4 | 173.7 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | S269 S273 | S269-S271 PolarHBondContact O-N 3.47Å; S269-S271 VanDerWaalsContact O-N 3.12Å; S271-S273 PolarHBondContact O-N 3.03Å | ||
| 272 | S | 38 | Very low | 35.1 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -78.8 | 109.8 | 172.9 | 166.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 273 | S | 34.9 | Very low | 35.2 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -111 | 118.8 | 166.5 | -164 | 0 | 0 | 0 | 0 | 110 | S271 E275 | S271-S273 PolarHBondContact O-N 3.03Å; S273-E275 PolarHBondContact O-N 3.32Å | ||
| 274 | D | 37.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -80.6 | 97.5 | 179.7 | -173.4 | -116 | 0 | 0 | 0 | 109.8 | P276 | D274-P276 WeakPolarHBondContact O-CD 3.4Š| ||
| 275 | E | 37.5 | Very low | 35.6 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | -91.6 | 110 | 177 | -160.7 | 87.5 | 168.9 | 0 | 0 | 109.4 | S273 K277 | S273-E275 PolarHBondContact O-N 3.32Å; E275-K277 PolarHBondContact O-N 3.18Å | ||
| 276 | P | 44 | Very low | 36 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | trans | -69.9 | 99.3 | -177.2 | 26.6 | -33.8 | 0 | 0 | 0 | 110.8 | D274 R278 | D274-P276 WeakPolarHBondContact O-CD 3.4Å; P276-R278 PolarHBondContact O-N 3.25Å | ||
| 277 | K | 43 | Very low | 36.1 | Very low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -51.3 | 104 | 177.5 | -68.9 | -177.7 | 178.8 | 179.4 | 0 | 111.1 | E275 K279 | E275-K277 PolarHBondContact O-N 3.18Å; K277-K279 PolarHBondContact O-N 3.24Å | ||
| 278 | R | 40.9 | Very low | 36.2 | Very low | 242 Ų | 242 | 143.5 Ų | 143.5 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | -56.9 | 109.5 | 178 | -76.3 | -178.9 | 163.3 | -162.5 | -5.9 | 110.3 | P276 V280 | P276-R278 PolarHBondContact O-N 3.25Å; R278-V280 PolarHBondContact O-N 3.3Å | ||
| 279 | K | 41.9 | Very low | 36.5 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -87.2 | 94.4 | -176.9 | -167.6 | -173.2 | -178.5 | -164.1 | 0 | 110 | K277 T281 | K277-K279 PolarHBondContact O-N 3.24Å; K279-T281 PolarHBondContact O-N 3.47Å; K279-T281 PolarHBondContact O-OG1 3.3Å | ||
| 280 | V | 33.5 | Very low | 36.7 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -58.1 | 120.8 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | R278 | R278-V280 PolarHBondContact O-N 3.3Š| ||
| 281 | T | 35.8 | Very low | 36.6 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 61% | 0.607 | 77% | 0.769 | S | S | * | * | trans | -124.7 | 104.9 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 107.1 | K279 T283 | K279-T281 PolarHBondContact O-N 3.47Å; K279-T281 PolarHBondContact O-OG1 3.3Å; T281-T283 PolarHBondContact O-N 3.33Å | ||
| 282 | C | 31.8 | Very low | 36.9 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -75.7 | 106.8 | 173.7 | -68.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 283 | T | 40.2 | Very low | 36.6 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | trans | -102.2 | 111.1 | 167.8 | -59.7 | 0 | 0 | 0 | 0 | 108.3 | T281 I285 | T281-T283 PolarHBondContact O-N 3.33Å; T283-I285 HydrophobicContact CG2-CG1 3.94Å; T283-I285 PolarHBondContact O-N 2.91Å | ||
| 284 | T | 37.8 | Very low | 36.5 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 111 | 167.7 | -54.9 | 0 | 0 | 0 | 0 | 108.5 | F286 | T284-F286 HydrophobicContact CG2-CD2 4.38Å; T284-F286 HydrophobicContact CG2-CE2 3.87Å; T284-F286 HydrophobicContact CG2-CZ 4Å | ||
| 285 | I | 35.7 | Very low | 36.2 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -96.5 | 119.8 | 173.1 | -57.3 | 177.5 | 0 | 0 | 0 | 107.4 | T283 | T283-I285 HydrophobicContact CG2-CG1 3.94Å; T283-I285 PolarHBondContact O-N 2.91Å | ||
| 286 | F | 38.7 | Very low | 36 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 75% | 0.746 | 79% | 0.793 | S | S | * | * | trans | -85.2 | 136.9 | 165.7 | -67.1 | -84.6 | 0 | 0 | 0 | 108.4 | T284 D288 | T284-F286 HydrophobicContact CG2-CD2 4.38Å; T284-F286 HydrophobicContact CG2-CE2 3.87Å; T284-F286 HydrophobicContact CG2-CZ 4Å; F286-D288 PolarHBondContact O-N 3.38Å | ||
| 287 | Q | 34.1 | Very low | 35.5 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 107.2 | 170.8 | -70.7 | -179.7 | 62.6 | 0 | 0 | 108.2 | D289 | Q287-D289 PolarHBondContact O-N 3.35Š| ||
| 288 | D | 33.6 | Very low | 35.3 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -80.3 | 93.8 | 169.9 | -75.8 | -41.2 | 0 | 0 | 0 | 109.1 | F286 S290 | F286-D288 PolarHBondContact O-N 3.38Å; D288-S290 PolarHBondContact O-N 3.5Å | ||
| 289 | D | 34 | Very low | 35.1 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -81.9 | 108.7 | 168.6 | -139.9 | -22.7 | 0 | 0 | 0 | 108.7 | Q287 | Q287-D289 PolarHBondContact O-N 3.35Š| ||
| 290 | S | 34.1 | Very low | 35 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -151.2 | 65.5 | -173.3 | -77.6 | 0 | 0 | 0 | 0 | 111.9 | D288 A292 | D288-S290 PolarHBondContact O-N 3.5Å; S290-A292 PolarHBondContact O-N 2.98Å | ||
| 291 | S | 32.6 | Very low | 35.4 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -62.8 | 127 | 159.5 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 292 | A | 36.8 | Very low | 36.1 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -66.2 | 137 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S290 | S290-A292 PolarHBondContact O-N 2.98Š| ||
| 293 | S | 30 | Very low | 36.9 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -148 | 145 | 146 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 294 | S | 34.2 | Very low | 37.3 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -75.2 | 141.9 | -170.7 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 295 | G | 30.3 | Very low | 37.8 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 173.5 | 118.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 296 | G | 34 | Very low | 38.2 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | trans | -80.5 | 140.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 297 | G | 31.7 | Very low | 38.4 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 172.3 | 102.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q299 | G297-Q299 PolarHBondContact O-N 3.44Š| ||
| 298 | Q | 39.1 | Very low | 38.9 | Very low | 194 Ų | 194 | 127.2 Ų | 127.2 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -73.8 | 115.1 | 179.8 | -75.5 | -168.3 | -12.5 | 0 | 0 | 111.3 | ||||
| 299 | Q | 38.3 | Very low | 39.2 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -126.3 | 99.7 | 161.7 | -167.7 | 176.4 | 2.3 | 0 | 0 | 108.7 | G297 S301 | G297-Q299 PolarHBondContact O-N 3.44Å; Q299-S301 PolarHBondContact O-N 3.49Å | ||
| 300 | M | 39.6 | Very low | 39.8 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | -68.6 | 96.3 | -179 | -72.2 | -69.3 | -86.6 | 0 | 0 | 110.4 | ||||
| 301 | S | 41.8 | Very low | 40 | Very low | 74 Ų | 74 | 128 Ų | 128 | 52% | 0.517 | 74% | 0.743 | S | S | . | * | trans | -71.5 | 136.1 | -178.7 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | Q299 K303 Q304 | Q299-S301 PolarHBondContact O-N 3.49Å; S301-K303 PolarHBondContact O-N 3.35Å; S301-Q304 PolarHBondContact O-N 3.34Å | ||
| 302 | R | 50 | Low | 40.2 | Very low | 242 Ų | 242 | 133.2 Ų | 133.2 | 91% | 0.913 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -5.9 | -176.5 | -163.3 | 176.9 | -82.2 | 178.2 | -6.9 | 114.6 | ||
| 303 | K | 48.9 | Very low | 39.9 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -21.7 | -177.5 | -62.7 | -174.2 | 177.2 | -175.9 | 0 | 115.2 | S301 S305 | S301-K303 PolarHBondContact O-N 3.35Å; K303-S305 VanDerWaalsContact C-N 3.3Å; K303-S305 PolarHBondContact O-N 2.88Å |
| 304 | Q | 48.8 | Very low | 40.4 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 55% | 0.551 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -70.6 | -21.2 | -179.4 | -76 | -170.9 | -10.5 | 0 | 0 | 114.5 | S301 L306 Q308 | S301-Q304 PolarHBondContact O-N 3.34Å; Q304-L306 PolarHBondContact O-N 2.9Å; Q304-Q308 PolarHBondContact O-N 3.41Å |
| 305 | S | 47.3 | Very low | 40.6 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -65.4 | -38 | -177 | -171 | 0 | 0 | 0 | 0 | 113.2 | K303 Q308 W309 | K303-S305 VanDerWaalsContact C-N 3.3Å; K303-S305 PolarHBondContact O-N 2.88Å; S305-Q308 PolarHBondContact O-N 3.41Å; S305-W309 PolarHBondContact O-N 2.92Å |
| 306 | L | 44.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -69.5 | -42.3 | -175.1 | -144.2 | 83.6 | 0 | 0 | 0 | 112.2 | Q304 Q308 W309 L310 | Q304-L306 PolarHBondContact O-N 2.9Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 2.93Å; L306-W309 PolarHBondContact O-N 3.28Å; L306-L310 PolarHBondContact O-N 3.07Å; L306-L310 VanDerWaalsContact O-N 3.13Å |
| 307 | S | 41.7 | Very low | 41.3 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 53% | 0.531 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -66.7 | -33.2 | 179.9 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | S311 | S307-S311 WeakPolarHBondContact O-CB 3.16Å; S307-S311 PolarHBondContact O-N 3.46Å; S307-S311 PolarHBondContact O-OG 3.05Å |
| 308 | Q | 45.8 | Very low | 41.8 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 62% | 0.621 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -71.8 | -30 | 173.6 | -71.6 | -175.3 | -1.8 | 0 | 0 | 113 | Q304 S305 L306 R312 | Q304-Q308 PolarHBondContact O-N 3.41Å; S305-Q308 PolarHBondContact O-N 3.41Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 2.93Å; Q308-R312 WeakPolarHBondContact O-CG 3.35Å |
| 309 | W | 39.8 | Very low | 41.6 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -68.4 | -48.2 | 172.9 | -109.1 | 70.9 | 0 | 0 | 0 | 112.1 | S305 L306 S311 R312 | S305-W309 PolarHBondContact O-N 2.92Å; L306-W309 PolarHBondContact O-N 3.28Å; W309-S311 VanDerWaalsContact C-N 3.26Å; W309-S311 PolarHBondContact O-N 3.36Å; W309-R312 PolarHBondContact O-N 3.3Å |
| 310 | L | 46.8 | Very low | 42 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 63% | 0.634 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -66.8 | -25.2 | -179.4 | -69.2 | 166.4 | 0 | 0 | 0 | 113.4 | L306 S313 | L306-L310 PolarHBondContact O-N 3.07Å; L306-L310 VanDerWaalsContact O-N 3.13Å; L310-S313 PolarHBondContact O-OG 2.92Å |
| 311 | S | 37.7 | Very low | 41.9 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -17.8 | 179.3 | -59.4 | 0 | 0 | 0 | 0 | 113.9 | S307 W309 | S307-S311 WeakPolarHBondContact O-CB 3.16Å; S307-S311 PolarHBondContact O-N 3.46Å; S307-S311 PolarHBondContact O-OG 3.05Å; W309-S311 VanDerWaalsContact C-N 3.26Å; W309-S311 PolarHBondContact O-N 3.36Å |
| 312 | R | 35.9 | Very low | 42 | Very low | 221 Ų | 221 | 147.3 Ų | 147.3 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -88.7 | -12.5 | -176.3 | -68.8 | -178.8 | 77.3 | 159.8 | 4 | 114.2 | Q308 W309 | Q308-R312 WeakPolarHBondContact O-CG 3.35Å; W309-R312 PolarHBondContact O-N 3.3Å |
| 313 | S | 30.6 | Very low | 41.8 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -93 | -2.1 | -174.8 | 47.3 | 0 | 0 | 0 | 0 | 115.4 | L310 | L310-S313 PolarHBondContact O-OG 2.92Š|
| 314 | N | 41 | Very low | 41.7 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -107.5 | 18.5 | -177.5 | -159.4 | 23.2 | 0 | 0 | 0 | 114.9 | ||
| 315 | S | 38.7 | Very low | 41.8 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -115.5 | 72.3 | 177 | -163.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 316 | F | 34.8 | Very low | 41.8 | Very low | 202 Ų | 202 | 138.8 Ų | 138.8 | 89% | 0.886 | 73% | 0.726 | S | S | * | * | trans | -141.9 | 79.4 | 154.3 | -132.8 | -84.5 | 0 | 0 | 0 | 110.6 | ||||
| 317 | K | 43.9 | Very low | 42.1 | Very low | 212 Ų | 212 | 138 Ų | 138 | 92% | 0.922 | 72% | 0.722 | S | S | * | * | trans | -78.3 | 126.5 | 164.5 | -81.4 | -176.9 | 175 | 178.4 | 0 | 109 | ||||
| 318 | G | 41.8 | Very low | 42.5 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 106.4 | 71.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 319 | S | 35.1 | Very low | 42.7 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | -159.5 | 138.2 | 125.4 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | R321 | S319-R321 PolarHBondContact O-N 2.87Š| |||
| 320 | G | 47.6 | Very low | 43.1 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -87.1 | 108.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 321 | R | 38 | Very low | 43.4 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | -153.6 | 83 | 152.1 | -126.5 | -177.5 | -161 | -140.9 | 6.2 | 112.6 | S319 Q323 | S319-R321 PolarHBondContact O-N 2.87Å; R321-Q323 VanDerWaalsContact C-N 3.3Å; R321-Q323 HydrophobicContact CG-CG 4.01Å; R321-Q323 VanDerWaalsContact NH1-CD 3.33Å; R321-Q323 PolarHBondContact O-N 3.21Å; R321-Q323 VanDerWaalsContact O-N 3.1Å | ||
| 322 | R | 42.8 | Very low | 44.1 | Very low | 257 Ų | 257 | 129.8 Ų | 129.8 | 97% | 0.97 | 70% | 0.698 | S | S | * | * | trans | -74.8 | 87.8 | 157.8 | -77.8 | 177.6 | 166.3 | -104.1 | -3.4 | 107.8 | ||||
| 323 | Q | 46.9 | Very low | 45 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | trans | -81.2 | 142 | 161.2 | -62.7 | -160.6 | -100.8 | 0 | 0 | 108.6 | R321 | R321-Q323 VanDerWaalsContact C-N 3.3Å; R321-Q323 HydrophobicContact CG-CG 4.01Å; R321-Q323 VanDerWaalsContact NH1-CD 3.33Å; R321-Q323 PolarHBondContact O-N 3.21Å; R321-Q323 VanDerWaalsContact O-N 3.1Å | ||
| 324 | S | 45.1 | Very low | 46 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 46% | 0.455 | 68% | 0.677 | S | S | . | * | trans | -66.1 | 151.6 | -170.3 | 42.2 | 0 | 0 | 0 | 0 | 112.7 | D326 L327 | S324-D326 WeakPolarHBondContact CB-OD2 3.41Å; S324-D326 PolarHBondContact O-N 2.84Å; S324-L327 PolarHBondContact O-N 2.97Å | ||
| 325 | L | 51.5 | Low | 46.8 | Very low | 144 Ų | 144 | 122.5 Ų | 122.5 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -20.1 | 173.7 | -155.4 | 81.2 | 0 | 0 | 0 | 112.1 | L327 L328 | L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.41Å; L325-L328 VanDerWaalsContact O-CB 3.3Å; L325-L328 WeakPolarHBondContact O-CB 3.22Å; L325-L328 PolarHBondContact O-N 2.69Å |
| 326 | D | 48.6 | Very low | 47.8 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.1 | -32.5 | -179.2 | -56.6 | -41.9 | 0 | 0 | 0 | 113.9 | S324 L328 I329 D330 | S324-D326 WeakPolarHBondContact CB-OD2 3.41Å; S324-D326 PolarHBondContact O-N 2.84Å; D326-L328 PolarHBondContact O-N 3.46Å; D326-I329 PolarHBondContact O-N 3.31Å; D326-D330 PolarHBondContact O-N 3.13Å |
| 327 | L | 51.1 | Low | 48.8 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 58% | 0.581 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.7 | -19 | 176.6 | -90.4 | 81.4 | 0 | 0 | 0 | 112.8 | S324 L325 A331 | S324-L327 PolarHBondContact O-N 2.97Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.41Å; L327-A331 VanDerWaalsContact O-CB 3.29Å; L327-A331 WeakPolarHBondContact O-CB 3.43Å; L327-A331 PolarHBondContact O-N 3.26Å |
| 328 | L | 49.3 | Very low | 49.4 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.5 | -26.2 | -179.9 | -153.7 | 71.6 | 0 | 0 | 0 | 112.3 | L325 D326 | L325-L328 VanDerWaalsContact O-CB 3.3Å; L325-L328 WeakPolarHBondContact O-CB 3.22Å; L325-L328 PolarHBondContact O-N 2.69Å; D326-L328 PolarHBondContact O-N 3.46Å |
| 329 | I | 50.3 | Low | 50.2 | Low | 136 Ų | 136 | 117.5 Ų | 117.5 | 70% | 0.697 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.8 | -46 | 175.9 | -58.2 | 177.5 | 0 | 0 | 0 | 109.4 | D326 A331 G332 | D326-I329 PolarHBondContact O-N 3.31Å; I329-A331 VanDerWaalsContact C-N 3.29Å; I329-A331 PolarHBondContact O-N 3.19Å; I329-G332 PolarHBondContact O-N 2.74Å; I329-G332 VanDerWaalsContact O-N 3.09Å |
| 330 | D | 47.9 | Very low | 51.2 | Low | 109 Ų | 109 | 115 Ų | 115 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.1 | -20 | -179.8 | -157.2 | 45 | 0 | 0 | 0 | 113.5 | D326 | D326-D330 PolarHBondContact O-N 3.13Å |
| 331 | A | 52.1 | Low | 51.5 | Low | 42 Ų | 42 | 119.5 Ų | 119.5 | 35% | 0.347 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.1 | -24.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L327 I329 K334 V335 | L327-A331 VanDerWaalsContact O-CB 3.29Å; L327-A331 WeakPolarHBondContact O-CB 3.43Å; L327-A331 PolarHBondContact O-N 3.26Å; I329-A331 VanDerWaalsContact C-N 3.29Å; I329-A331 PolarHBondContact O-N 3.19Å; A331-K334 PolarHBondContact O-N 3.32Å; A331-V335 WeakPolarHBondContact O-CG2 3.45Å; A331-V335 PolarHBondContact O-N 2.96Å |
| 332 | G | 52.2 | Low | 52.2 | Low | 42 Ų | 42 | 112 Ų | 112 | 43% | 0.433 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.1 | -46.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I329 V335 K336 | I329-G332 PolarHBondContact O-N 2.74Å; I329-G332 VanDerWaalsContact O-N 3.09Å; G332-V335 PolarHBondContact O-N 3.19Å; G332-K336 PolarHBondContact O-N 2.86Å |
| 333 | D | 55.4 | Low | 52.5 | Low | 94 Ų | 94 | 107.1 Ų | 107.1 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.9 | -35.7 | 179.3 | -101.5 | -25.4 | 0 | 0 | 0 | 112.2 | V335 K336 D337 | D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.45Å; D333-K336 WeakPolarHBondContact O-CB 3.33Å; D333-K336 PolarHBondContact O-N 3.46Å; D333-K336 IonicContact OD1-NZ 3.02Å; D333-K336 PolarHBondContact OD1-NZ 2.87Å; D333-D337 PolarHBondContact O-N 2.84Å |
| 334 | K | 53 | Low | 52.9 | Low | 131 Ų | 131 | 108.7 Ų | 108.7 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.7 | -33 | 177.8 | -58.5 | -174.3 | -161.2 | -56.5 | 0 | 112.5 | A331 V338 | A331-K334 PolarHBondContact O-N 3.32Å; K334-V338 WeakPolarHBondContact O-CG2 3.35Å; K334-V338 PolarHBondContact O-N 2.96Å |
| 335 | V | 55.9 | Low | 53.3 | Low | 92 Ų | 92 | 113.6 Ų | 113.6 | 56% | 0.558 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.9 | -36.9 | 174 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | A331 G332 D333 V338 F339 | A331-V335 WeakPolarHBondContact O-CG2 3.45Å; A331-V335 PolarHBondContact O-N 2.96Å; G332-V335 PolarHBondContact O-N 3.19Å; D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.45Å; V335-V338 PolarHBondContact O-N 2.97Å; V335-F339 PolarHBondContact O-N 3.28Å |
| 336 | K | 60 | Low | 53.1 | Low | 125 Ų | 125 | 111.9 Ų | 111.9 | 54% | 0.543 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.8 | -37 | 175.5 | 174.3 | 179.2 | 148.8 | -147.4 | 0 | 112.7 | G332 D333 F339 S340 | G332-K336 PolarHBondContact O-N 2.86Å; D333-K336 WeakPolarHBondContact O-CB 3.33Å; D333-K336 PolarHBondContact O-N 3.46Å; D333-K336 IonicContact OD1-NZ 3.02Å; D333-K336 PolarHBondContact OD1-NZ 2.87Å; K336-F339 PolarHBondContact O-N 3.45Å; K336-S340 WeakPolarHBondContact O-CB 3.48Å; K336-S340 PolarHBondContact O-N 3.24Å; K336-S340 PolarHBondContact O-OG 3Å |
| 337 | D | 56.1 | Low | 52.9 | Low | 107 Ų | 107 | 109.9 Ų | 109.9 | 57% | 0.572 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.6 | -43.1 | 171.4 | -80.2 | -18.2 | 0 | 0 | 0 | 112.2 | D333 F339 S340 Y341 | D333-D337 PolarHBondContact O-N 2.84Å; D337-F339 VanDerWaalsContact C-N 3.31Å; D337-F339 PolarHBondContact O-N 3Å; D337-S340 PolarHBondContact O-N 3.5Å; D337-Y341 VanDerWaalsContact O-CB 3.29Å; D337-Y341 WeakPolarHBondContact O-CB 3.26Å; D337-Y341 PolarHBondContact O-N 3.43Å |
| 338 | V | 57.3 | Low | 52.7 | Low | 109 Ų | 109 | 116 Ų | 116 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.3 | -38.8 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | K334 V335 G342 | K334-V338 WeakPolarHBondContact O-CG2 3.35Å; K334-V338 PolarHBondContact O-N 2.96Å; V335-V338 PolarHBondContact O-N 2.97Å; V338-G342 PolarHBondContact O-N 3.47Å |
| 339 | F | 57.7 | Low | 52.7 | Low | 146 Ų | 146 | 114.5 Ų | 114.5 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.7 | -42.9 | 175.1 | -125.7 | -93.5 | 0 | 0 | 0 | 112.3 | V335 K336 D337 G342 F343 | V335-F339 PolarHBondContact O-N 3.28Å; K336-F339 PolarHBondContact O-N 3.45Å; D337-F339 VanDerWaalsContact C-N 3.31Å; D337-F339 PolarHBondContact O-N 3Å; F339-G342 PolarHBondContact O-N 2.9Å; F339-F343 HydrophobicContact CD1-CD2 4.48Å; F339-F343 HydrophobicContact CD1-CE2 4.4Å; F339-F343 HydrophobicContact CE1-CE2 4.32Å; F339-F343 PolarHBondContact O-N 3.29Å |
| 340 | S | 56.9 | Low | 52.5 | Low | 71 Ų | 71 | 116 Ų | 116 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.9 | -42.5 | -179.4 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | K336 D337 G342 F343 Q344 | K336-S340 WeakPolarHBondContact O-CB 3.48Å; K336-S340 PolarHBondContact O-N 3.24Å; K336-S340 PolarHBondContact O-OG 3Å; D337-S340 PolarHBondContact O-N 3.5Å; S340-G342 VanDerWaalsContact C-N 3.33Å; S340-F343 PolarHBondContact O-N 3.22Å; S340-Q344 PolarHBondContact O-N 3.45Å; S340-Q344 VanDerWaalsContact O-N 3.17Å |
| 341 | Y | 53.3 | Low | 52.5 | Low | 171 Ų | 171 | 119.6 Ų | 119.6 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67 | -34.4 | 174.9 | -164.7 | -107.1 | 0 | 0 | 0 | 112.2 | D337 Q344 K345 | D337-Y341 VanDerWaalsContact O-CB 3.29Å; D337-Y341 WeakPolarHBondContact O-CB 3.26Å; D337-Y341 PolarHBondContact O-N 3.43Å; Y341-Q344 PolarHBondContact O-N 3.06Å; Y341-K345 PolarHBondContact O-N 2.93Å |
| 342 | G | 51.8 | Low | 52.3 | Low | 40 Ų | 40 | 129 Ų | 129 | 41% | 0.412 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -59 | -46.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V338 F339 S340 K345 | V338-G342 PolarHBondContact O-N 3.47Å; F339-G342 PolarHBondContact O-N 2.9Å; S340-G342 VanDerWaalsContact C-N 3.33Å; G342-K345 PolarHBondContact O-N 2.91Å |
| 343 | F | 50.8 | Low | 51.8 | Low | 154 Ų | 154 | 139 Ų | 139 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.2 | -40.2 | 176.9 | -98.1 | -89.2 | 0 | 0 | 0 | 113.1 | F339 S340 K345 V346 G347 | F339-F343 HydrophobicContact CD1-CD2 4.48Å; F339-F343 HydrophobicContact CD1-CE2 4.4Å; F339-F343 HydrophobicContact CE1-CE2 4.32Å; F339-F343 PolarHBondContact O-N 3.29Å; S340-F343 PolarHBondContact O-N 3.22Å; F343-K345 PolarHBondContact O-N 3.08Å; F343-V346 PolarHBondContact O-N 3.26Å; F343-V346 VanDerWaalsContact O-N 3.15Å; F343-G347 PolarHBondContact O-N 3.42Å |
| 344 | Q | 55.4 | Low | 51.1 | Low | 152 Ų | 152 | 142.1 Ų | 142.1 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -62.7 | -26.8 | -179.6 | -128.6 | 177.7 | 32.7 | 0 | 0 | 113.3 | S340 Y341 | S340-Q344 PolarHBondContact O-N 3.45Å; S340-Q344 VanDerWaalsContact O-N 3.17Å; Y341-Q344 PolarHBondContact O-N 3.06Å |
| 345 | K | 52.7 | Low | 50.2 | Low | 168 Ų | 168 | 140.5 Ų | 140.5 | 73% | 0.73 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -84.1 | -21.7 | 177.8 | -160.2 | 169.9 | -177.2 | 178.3 | 0 | 114 | Y341 G342 F343 | Y341-K345 PolarHBondContact O-N 2.93Å; G342-K345 PolarHBondContact O-N 2.91Å; F343-K345 PolarHBondContact O-N 3.08Å |
| 346 | V | 48.2 | Very low | 49.1 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -83.7 | -30.9 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | F343 R348 S349 | F343-V346 PolarHBondContact O-N 3.26Å; F343-V346 VanDerWaalsContact O-N 3.15Å; V346-R348 PolarHBondContact O-N 3.33Å; V346-S349 PolarHBondContact O-N 3.29Å |
| 347 | G | 43 | Very low | 48 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -9.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | F343 | F343-G347 PolarHBondContact O-N 3.42Š|
| 348 | R | 47.8 | Very low | 46.9 | Very low | 240 Ų | 240 | 146.8 Ų | 146.8 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 5 | -179.6 | -95.3 | -172.2 | 165.6 | 115.9 | -1.6 | 115.4 | V346 | V346-R348 PolarHBondContact O-N 3.33Š|
| 349 | S | 48.8 | Very low | 45.9 | Very low | 102 Ų | 102 | 149.6 Ų | 149.6 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -117.6 | 6.6 | -173.5 | -170.5 | 0 | 0 | 0 | 0 | 115.1 | V346 | V346-S349 PolarHBondContact O-N 3.29Š|
| 350 | L | 45.3 | Very low | 44.7 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -112 | 17.8 | -172.2 | -145.3 | 90.8 | 0 | 0 | 0 | 115.3 | ||||
| 351 | E | 48.6 | Very low | 43.5 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -102.7 | 144.9 | 162.3 | -74.6 | -176.9 | 123.6 | 0 | 0 | 109.8 | ||
| 352 | R | 47.5 | Very low | 42.5 | Very low | 240 Ų | 240 | 147.6 Ų | 147.6 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | 74.8 | 68 | -178.9 | -55.4 | 175.6 | 165.5 | -97.9 | -4.6 | 117.2 | ||||
| 353 | R | 41.2 | Very low | 41.4 | Very low | 251 Ų | 251 | 151.6 Ų | 151.6 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | -144.3 | 68.1 | 127.7 | -76.3 | -155.2 | -179.2 | 83.8 | 1.4 | 110.6 | |||||
| 354 | N | 41.5 | Very low | 40.5 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -120.3 | 97.4 | 154.1 | -170.9 | 16.2 | 0 | 0 | 0 | 105.8 | ||||
| 355 | S | 33.7 | Very low | 39.7 | Very low | 97 Ų | 97 | 146.3 Ų | 146.3 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -136.1 | 133.2 | 173.3 | -82.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 356 | E | 34.4 | Very low | 38.8 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | trans | -35.9 | 147.3 | 171.7 | 51.2 | -94.4 | 92.6 | 0 | 0 | 115.6 | ||||
| 357 | S | 35.3 | Very low | 38 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -116.7 | 87.1 | 155.7 | 64.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 358 | E | 34.7 | Very low | 37.4 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -66.6 | 134.6 | 161.8 | -69 | -170.8 | 111.3 | 0 | 0 | 109.1 | ||||
| 359 | M | 35.8 | Very low | 36.7 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 126.5 | 169.3 | 62.8 | 93.8 | -169.7 | 0 | 0 | 108.6 | G361 | M359-G361 PolarHBondContact O-N 3.16Å; M359-G361 VanDerWaalsContact O-N 3.12Å | ||
| 360 | S | 31.9 | Very low | 35.9 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -65.9 | 109 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 361 | G | 32.1 | Very low | 35.4 | Very low | 62 Ų | 62 | 145 Ų | 145 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | trans | -105.6 | 100 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M359 C363 | M359-G361 PolarHBondContact O-N 3.16Å; M359-G361 VanDerWaalsContact O-N 3.12Å; G361-C363 PolarHBondContact O-N 3.01Å | ||
| 362 | D | 33 | Very low | 34.4 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -70.1 | 107.8 | 173 | -71.9 | -62.4 | 0 | 0 | 0 | 111 | ||||
| 363 | C | 28.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -150.9 | 150.2 | 149.8 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | G361 | G361-C363 PolarHBondContact O-N 3.01Š| ||
| 364 | A | 31.1 | Very low | 33.1 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -62.6 | 157.8 | -162 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 365 | A | 37.9 | Very low | 32.7 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -56.9 | 157.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 366 | E | 33.8 | Very low | 32.6 | Very low | 200 Ų | 200 | 125.8 Ų | 125.8 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | -176.4 | 151.7 | 129.4 | -86.5 | -99.7 | 135.2 | 0 | 0 | 108.8 | |||||
| 367 | G | 31.7 | Very low | 32.5 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 94.4 | 95.1 | 151 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 368 | D | 30.3 | Very low | 32.4 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | 73.9 | 109.8 | 122.3 | -131.8 | 21.7 | 0 | 0 | 0 | 123.6 | |||||
| 369 | A | 34.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 120 Ų | 120 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | 62.6 | 138.3 | 124.9 | 0 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 370 | L | 31.9 | Very low | 32.2 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 90.5 | 123.1 | 136.3 | -111.5 | 85 | 0 | 0 | 0 | 122.2 | ||||
| 371 | L | 33.4 | Very low | 32.4 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 62.2 | 142.5 | 154 | -55.8 | 174 | 0 | 0 | 0 | 119 | ||||
| 372 | G | 28.6 | Very low | 32.2 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | 160.1 | 142.7 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 373 | G | 29.6 | Very low | 32 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 77.5 | 153.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 374 | T | 31.6 | Very low | 32 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -160.9 | 148.2 | -1.7 | 43 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 375 | T | 33.7 | Very low | 32.1 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 48.9 | 142 | 145.6 | 57 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 376 | D | 30.6 | Very low | 31.8 | Very low | 142 Ų | 142 | 115.1 Ų | 115.1 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | cis | -160.5 | 136 | -2.4 | -93.7 | -34 | 0 | 0 | 0 | 105.2 | ||||
| 377 | A | 33.8 | Very low | 31.5 | Very low | 81 Ų | 81 | 109.5 Ų | 109.5 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | 75.7 | 146.4 | 75.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 378 | L | 32.9 | Very low | 31.4 | Very low | 166 Ų | 166 | 109.2 Ų | 109.2 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 76.8 | 106.6 | -179 | -48.4 | 176.8 | 0 | 0 | 0 | 115.3 | ||||
| 379 | A | 31.5 | Very low | 31.4 | Very low | 87 Ų | 87 | 108.7 Ų | 108.7 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | cis | 76 | 116.5 | 20.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 380 | L | 35 | Very low | 31.2 | Very low | 164 Ų | 164 | 109.3 Ų | 109.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | 172.5 | 107.6 | 150 | -92.2 | 151.1 | 0 | 0 | 0 | 107.5 | ||||
| 381 | S | 34.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 108 Ų | 108 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | 74.7 | 139.1 | 89.6 | 77 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 382 | G | 29.4 | Very low | 31.2 | Very low | 74 Ų | 74 | 103.9 Ų | 103.9 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | cis | -146.5 | 169.8 | -2.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 383 | G | 28.6 | Very low | 31.2 | Very low | 90 Ų | 90 | 107 Ų | 107 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | 92.7 | 123.7 | 69.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 384 | G | 28.1 | Very low | 31.1 | Very low | 72 Ų | 72 | 106.8 Ų | 106.8 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | -172.2 | -172.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 385 | A | 32 | Very low | 31.1 | Very low | 103 Ų | 103 | 105.7 Ų | 105.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 24.9 | 144.5 | 155 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 386 | S | 32.5 | Very low | 31 | Very low | 119 Ų | 119 | 105.3 Ų | 105.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | cis | -167.6 | 160.9 | 15.3 | 38.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 387 | G | 27.1 | Very low | 31 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | cis | 113.3 | 123.3 | 36.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 388 | G | 29.9 | Very low | 30.9 | Very low | 66 Ų | 66 | 104.1 Ų | 104.1 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 123 | 98.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 389 | T | 31.1 | Very low | 30.8 | Very low | 152 Ų | 152 | 99.3 Ų | 99.3 | 93% | 0.933 | 80% | 0.803 | S | S | * | * | 60.3 | 115.9 | 75.6 | 67.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 390 | G | 29.6 | Very low | 30.9 | Very low | 86 Ų | 86 | 101.8 Ų | 101.8 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | 178 | 107.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 391 | S | 32.4 | Very low | 30.6 | Very low | 124 Ų | 124 | 97.5 Ų | 97.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -107 | 138.8 | 176 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 392 | A | 32.3 | Very low | 30.5 | Very low | 79 Ų | 79 | 98.8 Ų | 98.8 | 65% | 0.653 | 82% | 0.82 | S | S | * | * | trans | -171.8 | 122.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 393 | T | 29.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 98.9 Ų | 98.9 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | 46.7 | 126.6 | 72.8 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 394 | G | 27.9 | Very low | 30.6 | Very low | 69 Ų | 69 | 98.5 Ų | 98.5 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | 159.2 | -172.7 | 12.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 395 | A | 30.8 | Very low | 30.7 | Very low | 102 Ų | 102 | 98.8 Ų | 98.8 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 71 | 118 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 396 | A | 31.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 99.2 Ų | 99.2 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | 76.2 | 137.3 | 66.4 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 397 | G | 30.1 | Very low | 31 | Very low | 62 Ų | 62 | 97 Ų | 97 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | cis | 168.5 | 166.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 398 | S | 31.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 99.3 Ų | 99.3 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | trans | 62.1 | 148.6 | 175.9 | 68.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 399 | G | 30.4 | Very low | 31.8 | Very low | 65 Ų | 65 | 104.8 Ų | 104.8 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | cis | 169.4 | 155.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 400 | S | 33.1 | Very low | 32.4 | Very low | 139 Ų | 139 | 105.4 Ų | 105.4 | 97% | 0.972 | 81% | 0.807 | S | S | * | * | trans | 68 | 140.1 | 171.6 | -55.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 401 | G | 28.8 | Very low | 33.1 | Very low | 73 Ų | 73 | 107.7 Ų | 107.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 171.7 | 156.2 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 402 | S | 32.7 | Very low | 33.3 | Very low | 137 Ų | 137 | 111 Ų | 111 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | 58.4 | 130.7 | 162.8 | -159 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 403 | G | 29.2 | Very low | 33.4 | Very low | 75 Ų | 75 | 111.6 Ų | 111.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 172 | 29.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 404 | G | 31.1 | Very low | 34 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 71 | 137.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 405 | G | 29.6 | Very low | 34.1 | Very low | 79 Ų | 79 | 118 Ų | 118 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 90.3 | 85.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 406 | A | 37.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 119 Ų | 119 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | 32.5 | 108.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 407 | G | 33.4 | Very low | 35.2 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -147 | 100.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F409 | G407-F409 PolarHBondContact O-N 3.49Š| ||
| 408 | D | 38.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -76 | 85.2 | -171.1 | -158.4 | -0.3 | 0 | 0 | 0 | 111.4 | F410 | D408-F410 HydrophobicContact CB-CD2 4.49Å; D408-F410 HydrophobicContact CB-CE2 4.14Å; D408-F410 PolarHBondContact O-N 3.05Å; D408-F410 VanDerWaalsContact O-N 3.12Å; D408-F410 WeakPolarHBondContact OD2-CE2 3.44Å; D408-F410 VanDerWaalsContact OD2-CZ 3.29Å; D408-F410 WeakPolarHBondContact OD2-CZ 3.43Å | ||
| 409 | F | 35.8 | Very low | 36.4 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -80.9 | 87.4 | 176.7 | -170.1 | -94.8 | 0 | 0 | 0 | 109.3 | G407 L411 | G407-F409 PolarHBondContact O-N 3.49Å; F409-L411 VanDerWaalsContact C-N 3.33Å; F409-L411 PolarHBondContact O-N 3.42Å | ||
| 410 | F | 44.4 | Very low | 37.5 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -59 | 93.6 | 174.3 | -79.6 | -84 | 0 | 0 | 0 | 111.3 | D408 F412 | D408-F410 HydrophobicContact CB-CD2 4.49Å; D408-F410 HydrophobicContact CB-CE2 4.14Å; D408-F410 PolarHBondContact O-N 3.05Å; D408-F410 VanDerWaalsContact O-N 3.12Å; D408-F410 WeakPolarHBondContact OD2-CE2 3.44Å; D408-F410 VanDerWaalsContact OD2-CZ 3.29Å; D408-F410 WeakPolarHBondContact OD2-CZ 3.43Å; F410-F412 PolarHBondContact O-N 3.09Å | ||
| 411 | L | 43.3 | Very low | 38.7 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -60.1 | 116.3 | 165.6 | -170.1 | 73.1 | 0 | 0 | 0 | 107.6 | F409 S413 | F409-L411 VanDerWaalsContact C-N 3.33Å; F409-L411 PolarHBondContact O-N 3.42Å; L411-S413 PolarHBondContact O-N 3.33Å | ||
| 412 | F | 36.3 | Very low | 40.3 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -73.4 | 71.8 | -177.7 | -143.8 | -80.8 | 0 | 0 | 0 | 110.7 | F410 R414 | F410-F412 PolarHBondContact O-N 3.09Å; F412-R414 PolarHBondContact O-N 3.31Å | ||
| 413 | S | 34.3 | Very low | 42.1 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | -56.9 | 118.3 | 168.7 | -72.6 | 0 | 0 | 0 | 0 | 108.4 | L411 S415 | L411-S413 PolarHBondContact O-N 3.33Å; S413-S415 VanDerWaalsContact C-N 3.31Å; S413-S415 PolarHBondContact O-N 3.19Å | ||
| 414 | R | 42.3 | Very low | 43.4 | Very low | 236 Ų | 236 | 136.7 Ų | 136.7 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 83.2 | -178.1 | -59 | 171.8 | 80.3 | 169.7 | 6.1 | 109.4 | F412 | F412-R414 PolarHBondContact O-N 3.31Š| ||
| 415 | S | 31.5 | Very low | 44.8 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -74.8 | 124 | 161.6 | 51.7 | 0 | 0 | 0 | 0 | 108.9 | S413 | S413-S415 VanDerWaalsContact C-N 3.31Å; S413-S415 PolarHBondContact O-N 3.19Å | ||
| 416 | S | 43.8 | Very low | 46.2 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -97.3 | 96.7 | 173.9 | 52.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 417 | E | 41.1 | Very low | 47.7 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | trans | -129.3 | 152.6 | 174.4 | -75.5 | -169.2 | 143.4 | 0 | 0 | 112.3 | ||||
| 418 | P | 43.2 | Very low | 49.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -94.7 | 121.4 | -162.8 | 34.9 | -32.1 | 0 | 0 | 0 | 113.4 | E420 | P418-E420 PolarHBondContact O-N 3.06Š| ||
| 419 | K | 44.9 | Very low | 49.9 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | trans | 31.8 | 91.1 | 135.8 | -156 | 166 | -161.4 | 156.6 | 0 | 116 | L421 | K419-L421 PolarHBondContact O-N 3.3Š| ||
| 420 | E | 52.6 | Low | 51.1 | Low | 197 Ų | 197 | 136.6 Ų | 136.6 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 127.1 | 174.8 | -62 | -173.3 | 166.7 | 0 | 0 | 111.8 | P418 | P418-E420 PolarHBondContact O-N 3.06Š|
| 421 | L | 58.9 | Low | 51.7 | Low | 162 Ų | 162 | 134.1 Ų | 134.1 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 148.8 | 165.5 | -64.2 | 171.8 | 0 | 0 | 0 | 107.9 | K419 S423 | K419-L421 PolarHBondContact O-N 3.3Å; L421-S423 PolarHBondContact O-N 3.43Å |
| 422 | L | 61.5 | Low | 52.3 | Low | 128 Ų | 128 | 134.1 Ų | 134.1 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.8 | 171.5 | -64 | 170.4 | 0 | 0 | 0 | 109.4 | Q426 | L422-Q426 VanDerWaalsContact CA-OE1 3.24Å; L422-Q426 HydrophobicContact CB-CB 4.21Å; L422-Q426 VanDerWaalsContact CD2-OE1 3.26Å |
| 423 | S | 70.4 | Confident | 53 | Low | 53 Ų | 53 | 131 Ų | 131 | 37% | 0.371 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 154.9 | -179.9 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | L421 E425 Q426 V427 | L421-S423 PolarHBondContact O-N 3.43Å; S423-E425 PolarHBondContact O-N 3.07Å; S423-E425 VanDerWaalsContact O-N 3.14Å; S423-Q426 WeakPolarHBondContact O-CA 3.44Å; S423-Q426 WeakPolarHBondContact O-CB 3.5Å; S423-Q426 PolarHBondContact O-N 3.25Å; S423-Q426 WeakPolarHBondContact OG-CG 3.43Å; S423-Q426 PolarHBondContact OG-N 3.04Å; S423-V427 PolarHBondContact O-N 3.43Å; S423-V427 VanDerWaalsContact O-N 3.16Å |
| 424 | D | 57 | Low | 53.9 | Low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -57.4 | -31.5 | 178.9 | -65.5 | -37.8 | 0 | 0 | 0 | 111.8 | V427 E428 | D424-V427 WeakPolarHBondContact O-CB 3.38Å; D424-V427 PolarHBondContact O-N 3.48Å; D424-E428 WeakPolarHBondContact O-CB 3.47Å; D424-E428 PolarHBondContact O-N 3.47Å |
| 425 | E | 61.4 | Low | 54.3 | Low | 133 Ų | 133 | 126.2 Ų | 126.2 | 62% | 0.621 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.2 | -36.2 | 172.3 | -176 | -179.8 | -165.5 | 0 | 0 | 113.1 | S423 V427 N429 | S423-E425 PolarHBondContact O-N 3.07Å; S423-E425 VanDerWaalsContact O-N 3.14Å; E425-V427 VanDerWaalsContact C-N 3.32Å; E425-N429 PolarHBondContact O-N 3.29Å; E425-N429 PolarHBondContact O-ND2 3.41Å |
| 426 | Q | 58.5 | Low | 55.4 | Low | 103 Ų | 103 | 125.1 Ų | 125.1 | 48% | 0.481 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.1 | -29.1 | 174.1 | -69.8 | 173.2 | -32.3 | 0 | 0 | 112 | L422 S423 | L422-Q426 VanDerWaalsContact CA-OE1 3.24Å; L422-Q426 HydrophobicContact CB-CB 4.21Å; L422-Q426 VanDerWaalsContact CD2-OE1 3.26Å; S423-Q426 WeakPolarHBondContact O-CA 3.44Å; S423-Q426 WeakPolarHBondContact O-CB 3.5Å; S423-Q426 PolarHBondContact O-N 3.25Å; S423-Q426 WeakPolarHBondContact OG-CG 3.43Å; S423-Q426 PolarHBondContact OG-N 3.04Å |
| 427 | V | 67.4 | Low | 55.6 | Low | 69 Ų | 69 | 122.3 Ų | 122.3 | 42% | 0.418 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.3 | -42.9 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | S423 D424 E425 L430 L431 | S423-V427 PolarHBondContact O-N 3.43Å; S423-V427 VanDerWaalsContact O-N 3.16Å; D424-V427 WeakPolarHBondContact O-CB 3.38Å; D424-V427 PolarHBondContact O-N 3.48Å; E425-V427 VanDerWaalsContact C-N 3.32Å; V427-L430 WeakPolarHBondContact O-CB 3.47Å; V427-L430 PolarHBondContact O-N 3.16Å; V427-L430 VanDerWaalsContact O-N 3.13Å; V427-L431 HydrophobicContact CG1-CD1 4.12Å; V427-L431 WeakPolarHBondContact O-CG 3.3Å; V427-L431 PolarHBondContact O-N 3.05Å; V427-L431 VanDerWaalsContact O-N 3.13Å |
| 428 | E | 64.7 | Low | 56.1 | Low | 120 Ų | 120 | 123.8 Ų | 123.8 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.9 | -45.1 | 177.8 | -173.3 | 168.4 | -158.6 | 0 | 0 | 112.1 | D424 L430 L431 L432 | D424-E428 WeakPolarHBondContact O-CB 3.47Å; D424-E428 PolarHBondContact O-N 3.47Å; E428-L430 PolarHBondContact O-N 2.9Å; E428-L431 WeakPolarHBondContact O-CB 3.29Å; E428-L431 PolarHBondContact O-N 3.09Å; E428-L432 HydrophobicContact CG-CD1 3.64Å; E428-L432 WeakPolarHBondContact O-CD1 3.37Å; E428-L432 PolarHBondContact O-N 2.89Å |
| 429 | N | 54.3 | Low | 56.3 | Low | 97 Ų | 97 | 125.3 Ų | 125.3 | 52% | 0.519 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.5 | -24.7 | 174.4 | -80.9 | -72.8 | 0 | 0 | 0 | 113.8 | E425 N433 | E425-N429 PolarHBondContact O-N 3.29Å; E425-N429 PolarHBondContact O-ND2 3.41Å; N429-N433 PolarHBondContact O-ND2 2.93Å |
| 430 | L | 60.3 | Low | 56.8 | Low | 132 Ų | 132 | 119 Ų | 119 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.4 | -29.2 | 174.6 | -142 | 74.8 | 0 | 0 | 0 | 112.2 | V427 E428 | V427-L430 WeakPolarHBondContact O-CB 3.47Å; V427-L430 PolarHBondContact O-N 3.16Å; V427-L430 VanDerWaalsContact O-N 3.13Å; E428-L430 PolarHBondContact O-N 2.9Å |
| 431 | L | 57.7 | Low | 56.8 | Low | 113 Ų | 113 | 111.9 Ų | 111.9 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.8 | -35.9 | 177.9 | -72.6 | 163.6 | 0 | 0 | 0 | 112.8 | V427 E428 N433 | V427-L431 HydrophobicContact CG1-CD1 4.12Å; V427-L431 WeakPolarHBondContact O-CG 3.3Å; V427-L431 PolarHBondContact O-N 3.05Å; V427-L431 VanDerWaalsContact O-N 3.13Å; E428-L431 WeakPolarHBondContact O-CB 3.29Å; E428-L431 PolarHBondContact O-N 3.09Å; L431-N433 VanDerWaalsContact C-N 3.29Å; L431-N433 PolarHBondContact O-N 3.39Å |
| 432 | L | 57.1 | Low | 56.6 | Low | 133 Ų | 133 | 108 Ų | 108 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -12 | -177.3 | -89.3 | 83.8 | 0 | 0 | 0 | 115.2 | E428 | E428-L432 HydrophobicContact CG-CD1 3.64Å; E428-L432 WeakPolarHBondContact O-CD1 3.37Å; E428-L432 PolarHBondContact O-N 2.89Å |
| 433 | N | 49.3 | Very low | 55.9 | Low | 129 Ų | 129 | 106.3 Ų | 106.3 | 69% | 0.69 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 2.3 | -173.1 | -83 | -66.3 | 0 | 0 | 0 | 115.2 | N429 L431 | N429-N433 PolarHBondContact O-ND2 2.93Å; L431-N433 VanDerWaalsContact C-N 3.29Å; L431-N433 PolarHBondContact O-N 3.39Å |
| 434 | H | 53.8 | Low | 55 | Low | 86 Ų | 86 | 108.9 Ų | 108.9 | 40% | 0.398 | 59% | 0.586 | S | S | . | * | trans | -123.8 | 116.4 | -176.4 | -80 | -61.4 | 0 | 0 | 0 | 112.6 | V436 I442 | H434-V436 PolarHBondContact O-N 2.95Å; H434-I442 HydrophobicContact CB-CG1 4.22Å; H434-I442 HydrophobicContact CB-CG2 3.69Å; H434-I442 VanDerWaalsContact CG-CG2 3.49Å; H434-I442 WeakPolarHBondContact ND1-CG2 3.41Å | ||
| 435 | L | 50.3 | Low | 54.4 | Low | 142 Ų | 142 | 109.8 Ų | 109.8 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | trans | -67.9 | 120.3 | 165.7 | -72.6 | 164.1 | 0 | 0 | 0 | 108.6 | I443 | L435-I443 PolarHBondContact O-N 3.5Š| ||
| 436 | V | 54 | Low | 53.6 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | B | Isolated β-bridge | trans | -97.4 | 137.1 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | H434 G440 A441 I442 | H434-V436 PolarHBondContact O-N 2.95Å; V436-G440 VanDerWaalsContact CG1-CA 3.46Å; V436-A441 WeakPolarHBondContact CA-O 3.48Å; V436-A441 WeakPolarHBondContact CG1-O 3.38Å; V436-I442 HydrophobicContact CG2-CG1 4.15Å |
| 437 | D | 48.4 | Very low | 52.5 | Low | 62 Ų | 62 | 113.8 Ų | 113.8 | 33% | 0.332 | 61% | 0.609 | S | S | . | * | trans | -75.3 | 174.3 | 176.6 | 72.3 | 11.7 | 0 | 0 | 0 | 113 | N439 G440 A441 I443 | D437-N439 PolarHBondContact O-N 2.92Å; D437-N439 WeakPolarHBondContact OD1-CA 3.38Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.27Å; D437-G440 PolarHBondContact O-N 3.08Å; D437-G440 PolarHBondContact OD1-N 3.48Å; D437-A441 PolarHBondContact N-O 3.38Å; D437-A441 PolarHBondContact OD1-N 3.36Å; D437-I443 HydrophobicContact CB-CD1 4Å; D437-I443 HydrophobicContact CB-CG1 3.99Å | ||
| 438 | E | 51.7 | Low | 51.1 | Low | 203 Ų | 203 | 119 Ų | 119 | 95% | 0.949 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -8.5 | 179.6 | -58 | -177.8 | -159.4 | 0 | 0 | 113.5 | ||
| 439 | N | 47.1 | Very low | 49.4 | Very low | 152 Ų | 152 | 116.3 Ų | 116.3 | 81% | 0.813 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 2.3 | 179 | -73 | 80.5 | 0 | 0 | 0 | 113.1 | D437 A441 | D437-N439 PolarHBondContact O-N 2.92Å; D437-N439 WeakPolarHBondContact OD1-CA 3.38Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.27Å; N439-A441 VanDerWaalsContact C-N 3.35Å |
| 440 | G | 55.4 | Low | 48.4 | Very low | 59 Ų | 59 | 117.8 Ų | 117.8 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 81.7 | 9.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V436 D437 | V436-G440 VanDerWaalsContact CG1-CA 3.46Å; D437-G440 PolarHBondContact O-N 3.08Å; D437-G440 PolarHBondContact OD1-N 3.48Å |
| 441 | A | 53.5 | Low | 47.1 | Very low | 49 Ų | 49 | 116.5 Ų | 116.5 | 41% | 0.405 | 63% | 0.633 | S | S | . | * | trans | -89 | 133.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V436 D437 N439 I443 | V436-A441 WeakPolarHBondContact CA-O 3.48Å; V436-A441 WeakPolarHBondContact CG1-O 3.38Å; D437-A441 PolarHBondContact N-O 3.38Å; D437-A441 PolarHBondContact OD1-N 3.36Å; N439-A441 VanDerWaalsContact C-N 3.35Å; A441-I443 PolarHBondContact O-N 3.47Å | ||
| 442 | I | 55.4 | Low | 46 | Very low | 80 Ų | 80 | 115.1 Ų | 115.1 | 41% | 0.41 | 63% | 0.63 | S | S | . | * | B | Isolated β-bridge | trans | -67.2 | 115.5 | 172.2 | -72 | 166.4 | 0 | 0 | 0 | 108.2 | H434 V436 V444 | H434-I442 HydrophobicContact CB-CG1 4.22Å; H434-I442 HydrophobicContact CB-CG2 3.69Å; H434-I442 VanDerWaalsContact CG-CG2 3.49Å; H434-I442 WeakPolarHBondContact ND1-CG2 3.41Å; V436-I442 HydrophobicContact CG2-CG1 4.15Å; I442-V444 VanDerWaalsContact C-N 3.33Å; I442-V444 HydrophobicContact CG2-CG2 4.01Å; I442-V444 PolarHBondContact O-N 3.5Å |
| 443 | I | 47 | Very low | 45 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | trans | -71.9 | 98 | 165 | -53.2 | -179.7 | 0 | 0 | 0 | 105.9 | L435 D437 A441 E445 | L435-I443 PolarHBondContact O-N 3.5Å; D437-I443 HydrophobicContact CB-CD1 4Å; D437-I443 HydrophobicContact CB-CG1 3.99Å; A441-I443 PolarHBondContact O-N 3.47Å; I443-E445 PolarHBondContact O-N 3.37Å | ||
| 444 | V | 49.7 | Very low | 44.5 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 66% | 0.655 | 62% | 0.622 | S | S | * | * | trans | -69.2 | 90.8 | 158.9 | -178.5 | 0 | 0 | 0 | 0 | 105.5 | I442 E446 | I442-V444 VanDerWaalsContact C-N 3.33Å; I442-V444 HydrophobicContact CG2-CG2 4.01Å; I442-V444 PolarHBondContact O-N 3.5Å; V444-E446 PolarHBondContact O-N 3.08Å; V444-E446 VanDerWaalsContact O-N 3.07Å | ||
| 445 | E | 46.2 | Very low | 43.8 | Very low | 162 Ų | 162 | 111.6 Ų | 111.6 | 76% | 0.757 | 63% | 0.628 | S | S | * | * | trans | -55.5 | 120.2 | 170.7 | -161.7 | 178.8 | -151.4 | 0 | 0 | 106.7 | I443 L447 | I443-E445 PolarHBondContact O-N 3.37Å; E445-L447 VanDerWaalsContact C-N 3.3Å; E445-L447 PolarHBondContact O-N 3.1Å | ||
| 446 | E | 43.8 | Very low | 43.4 | Very low | 155 Ų | 155 | 111.6 Ų | 111.6 | 72% | 0.724 | 63% | 0.626 | S | S | * | * | trans | -66.8 | 92.2 | -169.6 | -171.1 | -178.4 | -139.9 | 0 | 0 | 108.5 | V444 K448 | V444-E446 PolarHBondContact O-N 3.08Å; V444-E446 VanDerWaalsContact O-N 3.07Å; E446-K448 PolarHBondContact O-N 3.17Å | ||
| 447 | L | 35.5 | Very low | 42.9 | Very low | 165 Ų | 165 | 116 Ų | 116 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | trans | -61.1 | 88.6 | 171.9 | -79.4 | 174.8 | 0 | 0 | 0 | 107.6 | E445 S449 | E445-L447 VanDerWaalsContact C-N 3.3Å; E445-L447 PolarHBondContact O-N 3.1Å; L447-S449 PolarHBondContact O-N 3.4Å | ||
| 448 | K | 37.9 | Very low | 42.8 | Very low | 177 Ų | 177 | 119.5 Ų | 119.5 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | trans | -48.7 | 102.7 | 172.2 | -78.8 | 141.7 | 179.9 | 158.6 | 0 | 108 | E446 | E446-K448 PolarHBondContact O-N 3.17Š| ||
| 449 | S | 29.4 | Very low | 42.9 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | trans | -55.7 | 133.8 | 173.5 | 40.3 | 0 | 0 | 0 | 0 | 108.4 | L447 T451 T452 | L447-S449 PolarHBondContact O-N 3.4Å; S449-T451 PolarHBondContact O-N 3.07Å; S449-T452 PolarHBondContact O-OG1 3.39Å | ||
| 450 | P | 33.8 | Very low | 43.3 | Very low | 129 Ų | 129 | 112.9 Ų | 112.9 | 84% | 0.838 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 26.2 | -176.4 | 30.6 | -36.5 | 0 | 0 | 0 | 113.4 | ||
| 451 | T | 32.7 | Very low | 43.7 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -11.9 | -177.3 | 44.2 | 0 | 0 | 0 | 0 | 113.7 | S449 T453 | S449-T451 PolarHBondContact O-N 3.07Å; T451-T453 VanDerWaalsContact C-N 3.35Å; T451-T453 PolarHBondContact O-N 2.89Å |
| 452 | T | 34.5 | Very low | 44.3 | Very low | 83 Ų | 83 | 119.2 Ų | 119.2 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.8 | -13.5 | -174.5 | -25 | 0 | 0 | 0 | 0 | 114.2 | S449 | S449-T452 PolarHBondContact O-OG1 3.39Å |
| 453 | T | 35.5 | Very low | 45.2 | Very low | 91 Ų | 91 | 121 Ų | 121 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.2 | -45.1 | -177.3 | -20.9 | 0 | 0 | 0 | 0 | 112.1 | T451 S455 Y457 | T451-T453 VanDerWaalsContact C-N 3.35Å; T451-T453 PolarHBondContact O-N 2.89Å; T453-S455 PolarHBondContact O-N 3.02Å; T453-Y457 HydrophobicContact CG2-CE2 4.31Å; T453-Y457 WeakPolarHBondContact O-CD2 3.35Å |
| 454 | T | 39.4 | Very low | 46.4 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 66% | 0.663 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.7 | -32.4 | -173.2 | -49.7 | 0 | 0 | 0 | 0 | 113.3 | M456 Y457 H458 | T454-M456 PolarHBondContact O-N 3.22Å; T454-Y457 PolarHBondContact O-N 3.01Å; T454-H458 PolarHBondContact O-N 3.23Å |
| 455 | S | 38.8 | Very low | 47.7 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.7 | -37 | -176.2 | -177.2 | 0 | 0 | 0 | 0 | 113 | T453 T459 | T453-S455 PolarHBondContact O-N 3.02Å; S455-T459 PolarHBondContact O-N 3.49Å; S455-T459 PolarHBondContact O-OG1 3.4Å |
| 456 | M | 41.3 | Very low | 49.2 | Very low | 141 Ų | 141 | 120 Ų | 120 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.5 | -38 | 177.3 | -74.1 | -155.1 | -78.6 | 0 | 0 | 112.9 | T454 H458 H460 | T454-M456 PolarHBondContact O-N 3.22Å; M456-H458 PolarHBondContact O-N 3.49Å; M456-H460 WeakPolarHBondContact O-CB 3.45Å; M456-H460 PolarHBondContact O-N 3.07Å |
| 457 | Y | 44.1 | Very low | 50.9 | Low | 175 Ų | 175 | 118.4 Ų | 118.4 | 69% | 0.686 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65 | -38.4 | 176.1 | -78.6 | -75.6 | 0 | 0 | 0 | 112.6 | T453 T454 H460 Q461 | T453-Y457 HydrophobicContact CG2-CE2 4.31Å; T453-Y457 WeakPolarHBondContact O-CD2 3.35Å; T454-Y457 PolarHBondContact O-N 3.01Å; Y457-H460 PolarHBondContact O-N 3.21Å; Y457-Q461 PolarHBondContact O-N 3.35Å |
| 458 | H | 45.3 | Very low | 53.1 | Low | 136 Ų | 136 | 117.1 Ų | 117.1 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.8 | -42.5 | -179.7 | -153.8 | 72.3 | 0 | 0 | 0 | 112.5 | T454 M456 H460 Q461 H462 | T454-H458 PolarHBondContact O-N 3.23Å; M456-H458 PolarHBondContact O-N 3.49Å; H458-H460 VanDerWaalsContact C-N 3.34Å; H458-H460 PolarHBondContact O-N 3.44Å; H458-Q461 PolarHBondContact O-N 3.45Å; H458-H462 PolarHBondContact O-N 3.43Å |
| 459 | T | 53.6 | Low | 55.1 | Low | 91 Ų | 91 | 114.3 Ų | 114.3 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -42.1 | 173.4 | -63 | 0 | 0 | 0 | 0 | 111.7 | S455 H462 Q463 | S455-T459 PolarHBondContact O-N 3.49Å; S455-T459 PolarHBondContact O-OG1 3.4Å; T459-H462 PolarHBondContact O-N 2.97Å; T459-Q463 WeakPolarHBondContact O-CB 3.48Å; T459-Q463 PolarHBondContact O-N 2.91Å; T459-Q463 VanDerWaalsContact O-N 3.07Å |
| 460 | H | 57.3 | Low | 57.6 | Low | 124 Ų | 124 | 117 Ų | 117 | 57% | 0.574 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.3 | -40 | -178.8 | -153.9 | 64.7 | 0 | 0 | 0 | 112.4 | M456 Y457 H458 Q464 | M456-H460 WeakPolarHBondContact O-CB 3.45Å; M456-H460 PolarHBondContact O-N 3.07Å; Y457-H460 PolarHBondContact O-N 3.21Å; H458-H460 VanDerWaalsContact C-N 3.34Å; H458-H460 PolarHBondContact O-N 3.44Å; H460-Q464 WeakPolarHBondContact O-CB 3.26Å; H460-Q464 PolarHBondContact O-N 3.29Å |
| 461 | Q | 62.5 | Low | 59.9 | Low | 139 Ų | 139 | 117.1 Ų | 117.1 | 65% | 0.65 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.6 | -45.2 | 172.3 | -98.1 | -156.9 | -8 | 0 | 0 | 112.4 | Y457 H458 Q463 Q464 Q465 | Y457-Q461 PolarHBondContact O-N 3.35Å; H458-Q461 PolarHBondContact O-N 3.45Å; Q461-Q463 VanDerWaalsContact C-N 3.32Å; Q461-Q463 PolarHBondContact O-N 3.48Å; Q461-Q464 PolarHBondContact O-N 3.27Å; Q461-Q465 WeakPolarHBondContact O-CB 3.23Å; Q461-Q465 PolarHBondContact O-N 2.91Å |
| 462 | H | 67.1 | Low | 62.3 | Low | 102 Ų | 102 | 116.6 Ų | 116.6 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -40 | -178.9 | -165.3 | 77.7 | 0 | 0 | 0 | 111.8 | H458 T459 Q465 Q466 | H458-H462 PolarHBondContact O-N 3.43Å; T459-H462 PolarHBondContact O-N 2.97Å; H462-Q465 PolarHBondContact O-N 3.16Å; H462-Q466 PolarHBondContact CD2-NE2 3.49Å; H462-Q466 PolarHBondContact NE2-NE2 3.28Å; H462-Q466 PolarHBondContact O-N 3.15Å; H462-Q466 VanDerWaalsContact O-N 3.07Å |
| 463 | Q | 72.9 | Confident | 64.6 | Low | 119 Ų | 119 | 118.6 Ų | 118.6 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68 | -37.5 | 176.2 | -169.2 | 165.3 | 55.8 | 0 | 0 | 112.7 | T459 Q461 Q467 | T459-Q463 WeakPolarHBondContact O-CB 3.48Å; T459-Q463 PolarHBondContact O-N 2.91Å; T459-Q463 VanDerWaalsContact O-N 3.07Å; Q461-Q463 VanDerWaalsContact C-N 3.32Å; Q461-Q463 PolarHBondContact O-N 3.48Å; Q463-Q467 PolarHBondContact O-N 3.2Å |
| 464 | Q | 73.3 | Confident | 66.8 | Low | 122 Ų | 122 | 119.8 Ų | 119.8 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.2 | -38 | 175.6 | -167.7 | 168 | 60.3 | 0 | 0 | 111.9 | H460 Q461 Q467 Q468 | H460-Q464 WeakPolarHBondContact O-CB 3.26Å; H460-Q464 PolarHBondContact O-N 3.29Å; Q461-Q464 PolarHBondContact O-N 3.27Å; Q464-Q467 PolarHBondContact O-N 3.16Å; Q464-Q468 PolarHBondContact O-N 2.87Å; Q464-Q468 VanDerWaalsContact O-N 3.08Å |
| 465 | Q | 76.6 | Confident | 68.8 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -38.5 | 176.5 | -163.7 | 172.7 | 59 | 0 | 0 | 112.1 | Q461 H462 Q468 Q469 | Q461-Q465 WeakPolarHBondContact O-CB 3.23Å; Q461-Q465 PolarHBondContact O-N 2.91Å; H462-Q465 PolarHBondContact O-N 3.16Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q465-Q469 PolarHBondContact O-N 2.81Å |
| 466 | Q | 78.3 | Confident | 70.8 | Confident | 100 Ų | 100 | 123.3 Ų | 123.3 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.8 | -43.1 | 172.9 | -74.6 | -171.6 | 13.2 | 0 | 0 | 112.7 | H462 Q468 Q469 Q470 | H462-Q466 PolarHBondContact CD2-NE2 3.49Å; H462-Q466 PolarHBondContact NE2-NE2 3.28Å; H462-Q466 PolarHBondContact O-N 3.15Å; H462-Q466 VanDerWaalsContact O-N 3.07Å; Q466-Q468 VanDerWaalsContact C-N 3.31Å; Q466-Q468 PolarHBondContact O-N 3.43Å; Q466-Q469 PolarHBondContact O-N 3.04Å; Q466-Q470 PolarHBondContact O-N 2.99Å; Q466-Q470 VanDerWaalsContact O-N 3.09Å |
| 467 | Q | 79.3 | Confident | 72.6 | Confident | 122 Ų | 122 | 122.4 Ų | 122.4 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | 175.5 | -76.7 | -171.5 | 4.7 | 0 | 0 | 112.1 | Q463 Q464 Q470 Q471 | Q463-Q467 PolarHBondContact O-N 3.2Å; Q464-Q467 PolarHBondContact O-N 3.16Å; Q467-Q470 PolarHBondContact O-N 3.26Å; Q467-Q471 PolarHBondContact O-N 3.14Å; Q467-Q471 VanDerWaalsContact O-N 3.1Å |
| 468 | Q | 80.9 | Confident | 74.2 | Confident | 138 Ų | 138 | 120.2 Ų | 120.2 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -35.9 | 179.7 | -160.1 | 167.7 | 63.6 | 0 | 0 | 112.1 | Q464 Q465 Q466 N472 | Q464-Q468 PolarHBondContact O-N 2.87Å; Q464-Q468 VanDerWaalsContact O-N 3.08Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q466-Q468 VanDerWaalsContact C-N 3.31Å; Q466-Q468 PolarHBondContact O-N 3.43Å; Q468-N472 WeakPolarHBondContact O-CB 3.26Å; Q468-N472 PolarHBondContact O-N 3.07Å |
| 469 | Q | 81.3 | Confident | 75.7 | Confident | 118 Ų | 118 | 119.5 Ų | 119.5 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -41.5 | 171.6 | -72.4 | -173.9 | 13.5 | 0 | 0 | 112.6 | Q465 Q466 N472 Q473 | Q465-Q469 PolarHBondContact O-N 2.81Å; Q466-Q469 PolarHBondContact O-N 3.04Å; Q469-N472 PolarHBondContact O-N 2.73Å; Q469-Q473 PolarHBondContact O-N 2.79Å |
| 470 | Q | 81.9 | Confident | 76.7 | Confident | 121 Ų | 121 | 122.4 Ų | 122.4 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.3 | -43.2 | 177.7 | -72.4 | -174.3 | 12.4 | 0 | 0 | 112.6 | Q466 Q467 N472 Q473 Q474 | Q466-Q470 PolarHBondContact O-N 2.99Å; Q466-Q470 VanDerWaalsContact O-N 3.09Å; Q467-Q470 PolarHBondContact O-N 3.26Å; Q470-N472 VanDerWaalsContact C-N 3.31Å; Q470-N472 PolarHBondContact O-N 3.39Å; Q470-Q473 PolarHBondContact O-N 2.98Å; Q470-Q474 PolarHBondContact O-N 3.08Å; Q470-Q474 VanDerWaalsContact O-N 3.08Å |
| 471 | Q | 81.3 | Confident | 77.4 | Confident | 131 Ų | 131 | 122.6 Ų | 122.6 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.3 | -40.3 | 175.7 | -71.6 | -174.3 | 5.5 | 0 | 0 | 112.1 | Q467 Q473 Q474 Q475 | Q467-Q471 PolarHBondContact O-N 3.14Å; Q467-Q471 VanDerWaalsContact O-N 3.1Å; Q471-Q473 PolarHBondContact O-N 3.31Å; Q471-Q474 PolarHBondContact O-N 3.17Å; Q471-Q475 PolarHBondContact O-N 3.27Å |
| 472 | N | 83.4 | Confident | 77.6 | Confident | 94 Ų | 94 | 121.7 Ų | 121.7 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.1 | -33.7 | -179.3 | -143.1 | -13.5 | 0 | 0 | 0 | 112.1 | Q468 Q469 Q470 K476 | Q468-N472 WeakPolarHBondContact O-CB 3.26Å; Q468-N472 PolarHBondContact O-N 3.07Å; Q469-N472 PolarHBondContact O-N 2.73Å; Q470-N472 VanDerWaalsContact C-N 3.31Å; Q470-N472 PolarHBondContact O-N 3.39Å; N472-K476 PolarHBondContact O-N 2.9Å; N472-K476 VanDerWaalsContact O-N 3.16Å |
| 473 | Q | 82 | Confident | 77.5 | Confident | 126 Ų | 126 | 122.4 Ų | 122.4 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.9 | -41.3 | 170.8 | -70.8 | -171 | 27.2 | 0 | 0 | 112.4 | Q469 Q470 Q471 K476 Q477 | Q469-Q473 PolarHBondContact O-N 2.79Å; Q470-Q473 PolarHBondContact O-N 2.98Å; Q471-Q473 PolarHBondContact O-N 3.31Å; Q473-K476 PolarHBondContact O-N 3.44Å; Q473-Q477 PolarHBondContact O-N 3.49Å |
| 474 | Q | 82.3 | Confident | 77.2 | Confident | 115 Ų | 115 | 122.8 Ų | 122.8 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64 | -41.8 | 176.8 | -70.8 | -177.2 | 16.3 | 0 | 0 | 112.2 | Q470 Q471 K476 Q477 Q478 | Q470-Q474 PolarHBondContact O-N 3.08Å; Q470-Q474 VanDerWaalsContact O-N 3.08Å; Q471-Q474 PolarHBondContact O-N 3.17Å; Q474-K476 PolarHBondContact O-N 3.27Å; Q474-Q477 PolarHBondContact O-N 3.43Å; Q474-Q478 PolarHBondContact O-N 3.36Å |
| 475 | Q | 80.8 | Confident | 76.5 | Confident | 118 Ų | 118 | 119.5 Ų | 119.5 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.4 | -41.9 | 173.7 | -78.4 | -169.3 | -5.3 | 0 | 0 | 112.4 | Q471 Q477 Q478 Q479 | Q471-Q475 PolarHBondContact O-N 3.27Å; Q475-Q477 VanDerWaalsContact C-N 3.33Å; Q475-Q477 PolarHBondContact O-N 3.4Å; Q475-Q478 PolarHBondContact O-N 3.07Å; Q475-Q479 WeakPolarHBondContact O-CG 3.37Å; Q475-Q479 PolarHBondContact O-N 3.25Å |
| 476 | K | 80.7 | Confident | 75.7 | Confident | 140 Ų | 140 | 118.8 Ų | 118.8 | 61% | 0.609 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.8 | -36 | 174.7 | -80.3 | -177.1 | 174.2 | -179.9 | 0 | 112.9 | N472 Q473 Q474 K480 | N472-K476 PolarHBondContact O-N 2.9Å; N472-K476 VanDerWaalsContact O-N 3.16Å; Q473-K476 PolarHBondContact O-N 3.44Å; Q474-K476 PolarHBondContact O-N 3.27Å; K476-K480 WeakPolarHBondContact O-CG 3.46Å; K476-K480 PolarHBondContact O-N 2.75Å |
| 477 | Q | 79.7 | Confident | 74.7 | Confident | 123 Ų | 123 | 119.6 Ų | 119.6 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -43.6 | 173.5 | -74.7 | -173.4 | -0.7 | 0 | 0 | 112.1 | Q473 Q474 Q475 Q479 K480 Q481 | Q473-Q477 PolarHBondContact O-N 3.49Å; Q474-Q477 PolarHBondContact O-N 3.43Å; Q475-Q477 VanDerWaalsContact C-N 3.33Å; Q475-Q477 PolarHBondContact O-N 3.4Å; Q477-Q479 PolarHBondContact O-N 3.06Å; Q477-K480 PolarHBondContact O-N 3.34Å; Q477-Q481 WeakPolarHBondContact O-CG 3.47Å; Q477-Q481 PolarHBondContact O-N 3.46Å |
| 478 | Q | 78.3 | Confident | 73.7 | Confident | 128 Ų | 128 | 118.2 Ų | 118.2 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.9 | -42.1 | 176.3 | -69.8 | -178.5 | 21.4 | 0 | 0 | 112.1 | Q474 Q475 K480 Q481 H482 | Q474-Q478 PolarHBondContact O-N 3.36Å; Q475-Q478 PolarHBondContact O-N 3.07Å; Q478-K480 VanDerWaalsContact C-N 3.35Å; Q478-K480 PolarHBondContact O-N 2.85Å; Q478-Q481 PolarHBondContact O-N 3.18Å; Q478-H482 WeakPolarHBondContact O-CB 3.48Å; Q478-H482 PolarHBondContact O-N 3.05Å |
| 479 | Q | 76.8 | Confident | 72.5 | Confident | 121 Ų | 121 | 115.8 Ų | 115.8 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.5 | -37.5 | 174.5 | -73.8 | -175.4 | 2.8 | 0 | 0 | 112.8 | Q475 Q477 H482 H483 | Q475-Q479 WeakPolarHBondContact O-CG 3.37Å; Q475-Q479 PolarHBondContact O-N 3.25Å; Q477-Q479 PolarHBondContact O-N 3.06Å; Q479-H482 PolarHBondContact O-N 3.07Å; Q479-H483 PolarHBondContact O-N 2.87Å; Q479-H483 PolarHBondContact O-ND1 2.71Å |
| 480 | K | 74.3 | Confident | 71.2 | Confident | 153 Ų | 153 | 111.9 Ų | 111.9 | 67% | 0.665 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -43.6 | 173 | -83 | -172.5 | 173.2 | -173.5 | 0 | 112.1 | K476 Q477 Q478 H482 H483 Q484 | K476-K480 WeakPolarHBondContact O-CG 3.46Å; K476-K480 PolarHBondContact O-N 2.75Å; Q477-K480 PolarHBondContact O-N 3.34Å; Q478-K480 VanDerWaalsContact C-N 3.35Å; Q478-K480 PolarHBondContact O-N 2.85Å; K480-H482 VanDerWaalsContact C-N 3.33Å; K480-H482 PolarHBondContact O-N 3.26Å; K480-H483 PolarHBondContact O-N 3.01Å; K480-Q484 WeakPolarHBondContact O-CB 3.48Å; K480-Q484 WeakPolarHBondContact O-CG 3.41Å; K480-Q484 PolarHBondContact O-N 3.13Å |
| 481 | Q | 71.3 | Confident | 69.9 | Low | 127 Ų | 127 | 109.7 Ų | 109.7 | 59% | 0.593 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.3 | -39.4 | 175.1 | -73 | -178.7 | 0.3 | 0 | 0 | 111.7 | Q477 Q478 Q484 A485 | Q477-Q481 WeakPolarHBondContact O-CG 3.47Å; Q477-Q481 PolarHBondContact O-N 3.46Å; Q478-Q481 PolarHBondContact O-N 3.18Å; Q481-Q484 PolarHBondContact O-N 3.41Å; Q481-A485 WeakPolarHBondContact O-CB 3.17Å; Q481-A485 PolarHBondContact O-N 3.13Å |
| 482 | H | 66.8 | Low | 68.5 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68 | -37.2 | 176.8 | -155.5 | -63.6 | 0 | 0 | 0 | 112.5 | Q478 Q479 K480 L486 | Q478-H482 WeakPolarHBondContact O-CB 3.48Å; Q478-H482 PolarHBondContact O-N 3.05Å; Q479-H482 PolarHBondContact O-N 3.07Å; K480-H482 VanDerWaalsContact C-N 3.33Å; K480-H482 PolarHBondContact O-N 3.26Å; H482-L486 WeakPolarHBondContact ND1-CD1 3.38Å; H482-L486 WeakPolarHBondContact O-CB 3.24Å; H482-L486 VanDerWaalsContact O-CG 3.26Å; H482-L486 WeakPolarHBondContact O-CG 3.4Å; H482-L486 PolarHBondContact O-N 3.04Å |
| 483 | H | 66.3 | Low | 66.9 | Low | 118 Ų | 118 | 112.3 Ų | 112.3 | 55% | 0.546 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.5 | -40.5 | 171.5 | -82.6 | 78.6 | 0 | 0 | 0 | 112.3 | Q479 K480 L486 N487 | Q479-H483 PolarHBondContact O-N 2.87Å; Q479-H483 PolarHBondContact O-ND1 2.71Å; K480-H483 PolarHBondContact O-N 3.01Å; H483-L486 PolarHBondContact O-N 2.86Å; H483-N487 WeakPolarHBondContact O-CB 3.47Å; H483-N487 VanDerWaalsContact O-CG 3.25Å; H483-N487 PolarHBondContact O-N 2.8Å |
| 484 | Q | 64.9 | Low | 65 | Low | 126 Ų | 126 | 118.5 Ų | 118.5 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64 | -42.4 | 175 | -75.7 | 177.5 | -18 | 0 | 0 | 111.5 | K480 Q481 N487 V488 | K480-Q484 WeakPolarHBondContact O-CB 3.48Å; K480-Q484 WeakPolarHBondContact O-CG 3.41Å; K480-Q484 PolarHBondContact O-N 3.13Å; Q481-Q484 PolarHBondContact O-N 3.41Å; Q484-N487 PolarHBondContact O-N 2.92Å; Q484-V488 WeakPolarHBondContact O-CB 3.49Å; Q484-V488 VanDerWaalsContact O-CG2 3.28Å; Q484-V488 WeakPolarHBondContact O-CG2 3.41Å; Q484-V488 PolarHBondContact O-N 2.89Å |
| 485 | A | 59.6 | Low | 64.2 | Low | 54 Ų | 54 | 118.7 Ų | 118.7 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Q481 V488 V489 | Q481-A485 WeakPolarHBondContact O-CB 3.17Å; Q481-A485 PolarHBondContact O-N 3.13Å; A485-V488 PolarHBondContact O-N 3.18Å; A485-V489 WeakPolarHBondContact O-CG2 3.47Å; A485-V489 PolarHBondContact O-N 3.46Å |
| 486 | L | 58.9 | Low | 63.3 | Low | 101 Ų | 101 | 118.7 Ų | 118.7 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.3 | -39.8 | 176.1 | -72.8 | 170.2 | 0 | 0 | 0 | 112.4 | H482 H483 V489 G490 | H482-L486 WeakPolarHBondContact ND1-CD1 3.38Å; H482-L486 WeakPolarHBondContact O-CB 3.24Å; H482-L486 VanDerWaalsContact O-CG 3.26Å; H482-L486 WeakPolarHBondContact O-CG 3.4Å; H482-L486 PolarHBondContact O-N 3.04Å; H483-L486 PolarHBondContact O-N 2.86Å; L486-V489 PolarHBondContact O-N 2.85Å; L486-G490 PolarHBondContact O-N 2.95Å |
| 487 | N | 57.6 | Low | 62.3 | Low | 118 Ų | 118 | 117.6 Ų | 117.6 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.8 | -38.2 | 176.3 | -73.3 | -3.2 | 0 | 0 | 0 | 112.3 | H483 Q484 G490 A491 | H483-N487 WeakPolarHBondContact O-CB 3.47Å; H483-N487 VanDerWaalsContact O-CG 3.25Å; H483-N487 PolarHBondContact O-N 2.8Å; Q484-N487 PolarHBondContact O-N 2.92Å; N487-G490 PolarHBondContact O-N 3.05Å; N487-A491 WeakPolarHBondContact O-CB 3.33Å; N487-A491 PolarHBondContact O-N 3Å |
| 488 | V | 58.4 | Low | 61.3 | Low | 93 Ų | 93 | 117.2 Ų | 117.2 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.5 | -38.4 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | Q484 A485 A491 L492 | Q484-V488 WeakPolarHBondContact O-CB 3.49Å; Q484-V488 VanDerWaalsContact O-CG2 3.28Å; Q484-V488 WeakPolarHBondContact O-CG2 3.41Å; Q484-V488 PolarHBondContact O-N 2.89Å; A485-V488 PolarHBondContact O-N 3.18Å; V488-A491 PolarHBondContact O-N 2.92Å; V488-L492 PolarHBondContact O-N 3.35Å |
| 489 | V | 56.9 | Low | 60.3 | Low | 86 Ų | 86 | 116.6 Ų | 116.6 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70 | -37.5 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | A485 L486 L492 | A485-V489 WeakPolarHBondContact O-CG2 3.47Å; A485-V489 PolarHBondContact O-N 3.46Å; L486-V489 PolarHBondContact O-N 2.85Å; V489-L492 PolarHBondContact O-N 3.32Å |
| 490 | G | 54.2 | Low | 59.2 | Low | 37 Ų | 37 | 116.3 Ų | 116.3 | 38% | 0.381 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.3 | -36.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L486 N487 L492 L493 | L486-G490 PolarHBondContact O-N 2.95Å; N487-G490 PolarHBondContact O-N 3.05Å; G490-L492 PolarHBondContact O-N 3.28Å; G490-L493 PolarHBondContact O-N 3.01Å |
| 491 | A | 53.8 | Low | 58.1 | Low | 75 Ų | 75 | 113.6 Ų | 113.6 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -2.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | N487 V488 | N487-A491 WeakPolarHBondContact O-CB 3.33Å; N487-A491 PolarHBondContact O-N 3Å; V488-A491 PolarHBondContact O-N 2.92Å |
| 492 | L | 51.2 | Low | 57.1 | Low | 140 Ų | 140 | 112.6 Ų | 112.6 | 73% | 0.733 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 4.1 | 174.4 | -91.2 | 159.2 | 0 | 0 | 0 | 112.9 | V488 V489 G490 | V488-L492 PolarHBondContact O-N 3.35Å; V489-L492 PolarHBondContact O-N 3.32Å; G490-L492 PolarHBondContact O-N 3.28Å |
| 493 | L | 49.3 | Very low | 56.3 | Low | 140 Ų | 140 | 112 Ų | 112 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | trans | -120.2 | 9.1 | -177.5 | -95.5 | 158.4 | 0 | 0 | 0 | 113.7 | G490 | G490-L493 PolarHBondContact O-N 3.01Š| ||
| 494 | F | 43.9 | Very low | 55.3 | Low | 256 Ų | 256 | 111.5 Ų | 111.5 | 100% | 1.123 | 63% | 0.625 | S | S | * | * | trans | -123.9 | 0 | 166 | -89.7 | -84.6 | 0 | 0 | 0 | 109.2 |
Retrieved 494 of 494 residues in 113.5 ms
(Link to these results)