| 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 | 48.3 | Very low | 68.1 | Low | 169 Ų | 169 | 91.6 Ų | 91.6 | 83% | 0.833 | 45% | 0.454 | S | S | * | . | 0 | 98 | 0 | -66.9 | -53 | -169.1 | 0 | 0 | 110.3 | |||||
| 2 | P | 69 | Low | 67.6 | Low | 76 Ų | 76 | 95.8 Ų | 95.8 | 49% | 0.494 | 47% | 0.474 | S | S | . | . | trans | -65 | 153.1 | 173 | 29.3 | -35 | 0 | 0 | 0 | 111.4 | T4 I5 R6 | P2-T4 PolarHBondContact O-N 3.2Å; P2-I5 HydrophobicContact CG-CB 4.2Å; P2-I5 HydrophobicContact CG-CD1 3.67Å; P2-I5 HydrophobicContact CG-CG1 3.88Å; P2-I5 PolarHBondContact O-N 3.43Å; P2-R6 PolarHBondContact O-N 3.12Å | ||
| 3 | S | 68.6 | Low | 67.1 | Low | 84 Ų | 84 | 97.6 Ų | 97.6 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.4 | -36.5 | -174.4 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | R7 | S3-R7 VanDerWaalsContact O-CB 3.29Å; S3-R7 WeakPolarHBondContact O-CB 3.37Å; S3-R7 PolarHBondContact O-N 3.48Å |
| 4 | T | 71 | Confident | 67.1 | Low | 48 Ų | 48 | 95.8 Ų | 95.8 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 179.3 | -42.2 | 0 | 0 | 0 | 0 | 112.6 | P2 R7 Q8 | P2-T4 PolarHBondContact O-N 3.2Å; T4-R7 CarbonylContact O-C 3.53Å; T4-R7 WeakPolarHBondContact O-CA 3.23Å; T4-R7 WeakPolarHBondContact O-CB 3.45Å; T4-R7 PolarHBondContact O-N 3.07Å; T4-R7 VanDerWaalsContact O-N 3.16Å; T4-Q8 WeakPolarHBondContact O-CG 3.21Å; T4-Q8 PolarHBondContact O-N 3.35Å |
| 5 | I | 70.7 | Confident | 67.7 | Low | 71 Ų | 71 | 99.2 Ų | 99.2 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 179.9 | -66.2 | 178.6 | 0 | 0 | 0 | 110.6 | P2 R7 Q8 M9 | P2-I5 HydrophobicContact CG-CB 4.2Å; P2-I5 HydrophobicContact CG-CD1 3.67Å; P2-I5 HydrophobicContact CG-CG1 3.88Å; P2-I5 PolarHBondContact O-N 3.43Å; I5-R7 PolarHBondContact O-N 3.38Å; I5-Q8 PolarHBondContact O-N 2.75Å; I5-M9 HydrophobicContact CG2-CE 4.32Å; I5-M9 HydrophobicContact CG2-SD 4.2Å; I5-M9 WeakPolarHBondContact O-CG 3.33Å; I5-M9 PolarHBondContact O-N 3.21Å |
| 6 | R | 73.1 | Confident | 68.3 | Low | 175 Ų | 175 | 95.7 Ų | 95.7 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.1 | -33.1 | 175.3 | -159.5 | -167.9 | -62.5 | -116.2 | 8.4 | 111.6 | P2 K10 | P2-R6 PolarHBondContact O-N 3.12Å; R6-K10 WeakPolarHBondContact O-CB 3.47Å; R6-K10 PolarHBondContact O-N 2.79Å; R6-K10 VanDerWaalsContact O-N 3.12Å |
| 7 | R | 75.2 | Confident | 69.2 | Low | 39 Ų | 39 | 92.1 Ų | 92.1 | 15% | 0.147 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.1 | -44.1 | 174.1 | 177.6 | 169.2 | 70.1 | -133 | 20 | 111.9 | S3 T4 I5 K10 N11 D30 | S3-R7 VanDerWaalsContact O-CB 3.29Å; S3-R7 WeakPolarHBondContact O-CB 3.37Å; S3-R7 PolarHBondContact O-N 3.48Å; T4-R7 CarbonylContact O-C 3.53Å; T4-R7 WeakPolarHBondContact O-CA 3.23Å; T4-R7 WeakPolarHBondContact O-CB 3.45Å; T4-R7 PolarHBondContact O-N 3.07Å; T4-R7 VanDerWaalsContact O-N 3.16Å; I5-R7 PolarHBondContact O-N 3.38Å; R7-K10 PolarHBondContact O-N 3.43Å; R7-N11 WeakPolarHBondContact O-CB 3.43Å; R7-N11 PolarHBondContact O-N 2.86Å; R7-N11 PolarHBondContact O-OD1 3.45Å; R7-D30 IonicContact CZ-OD2 3.41Å; R7-D30 VanDerWaalsContact CZ-OD2 3.26Å; R7-D30 IonicContact NH1-OD1 3.05Å; R7-D30 PolarHBondContact NH1-OD1 2.98Å; R7-D30 IonicContact NH1-OD2 2.76Å; R7-D30 PolarHBondContact NH1-OD2 3.31Å; R7-D30 IonicContact NH2-OD2 3.21Å; R7-D30 PolarHBondContact NH2-OD2 3.4Å |
| 8 | Q | 69 | Low | 70.1 | Confident | 103 Ų | 103 | 92.8 Ų | 92.8 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 176 | -74.7 | 168.3 | -35.9 | 0 | 0 | 111.8 | T4 I5 K10 N11 M12 | T4-Q8 WeakPolarHBondContact O-CG 3.21Å; T4-Q8 PolarHBondContact O-N 3.35Å; I5-Q8 PolarHBondContact O-N 2.75Å; Q8-K10 PolarHBondContact O-N 3.22Å; Q8-N11 WeakPolarHBondContact O-CA 3.31Å; Q8-N11 WeakPolarHBondContact O-CB 3.4Å; Q8-N11 PolarHBondContact O-N 2.93Å; Q8-M12 PolarHBondContact O-N 3.46Å |
| 9 | M | 67.4 | Low | 71.1 | Confident | 107 Ų | 107 | 88.1 Ų | 88.1 | 53% | 0.527 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 174.3 | -73.7 | 176.8 | 160.7 | 0 | 0 | 111.8 | I5 N11 M12 V13 | I5-M9 HydrophobicContact CG2-CE 4.32Å; I5-M9 HydrophobicContact CG2-SD 4.2Å; I5-M9 WeakPolarHBondContact O-CG 3.33Å; I5-M9 PolarHBondContact O-N 3.21Å; M9-N11 PolarHBondContact O-N 3.47Å; M9-M12 PolarHBondContact O-N 3.14Å; M9-V13 WeakPolarHBondContact O-CG2 3.24Å; M9-V13 PolarHBondContact O-N 3.18Å |
| 10 | K | 67.4 | Low | 72 | Confident | 125 Ų | 125 | 85.5 Ų | 85.5 | 54% | 0.543 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.6 | -24.2 | 175.4 | -171.9 | 163 | -174.8 | 169.6 | 0 | 112.9 | R6 R7 Q8 N14 | R6-K10 WeakPolarHBondContact O-CB 3.47Å; R6-K10 PolarHBondContact O-N 2.79Å; R6-K10 VanDerWaalsContact O-N 3.12Å; R7-K10 PolarHBondContact O-N 3.43Å; Q8-K10 PolarHBondContact O-N 3.22Å; K10-N14 WeakPolarHBondContact CG-OD1 3.44Å; K10-N14 WeakPolarHBondContact O-CB 3.29Å; K10-N14 PolarHBondContact O-N 3.36Å; K10-N14 PolarHBondContact O-OD1 2.94Å; K10-N14 VanDerWaalsContact O-OD1 3.14Å |
| 11 | N | 69.3 | Low | 72.9 | Confident | 11 Ų | 11 | 84.5 Ų | 84.5 | 6% | 0.059 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -76.2 | -33.6 | 174.7 | -73.1 | -3.6 | 0 | 0 | 0 | 112.6 | R7 Q8 M9 Y16 K21 R24 | R7-N11 WeakPolarHBondContact O-CB 3.43Å; R7-N11 PolarHBondContact O-N 2.86Å; R7-N11 PolarHBondContact O-OD1 3.45Å; Q8-N11 WeakPolarHBondContact O-CA 3.31Å; Q8-N11 WeakPolarHBondContact O-CB 3.4Å; Q8-N11 PolarHBondContact O-N 2.93Å; M9-N11 PolarHBondContact O-N 3.47Å; N11-Y16 HydrophobicContact CB-CD2 4.34Å; N11-K21 HydrophobicContact CB-CG 4.37Å; N11-R24 VanDerWaalsContact OD1-CZ 3.27Å; N11-R24 PolarHBondContact OD1-NE 2.93Å; N11-R24 PolarHBondContact OD1-NH2 3.04Å |
| 12 | M | 62 | Low | 74.9 | Confident | 141 Ų | 141 | 79.5 Ų | 79.5 | 70% | 0.695 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.8 | -50 | 172.4 | -65.4 | 168.6 | 68.1 | 0 | 0 | 111.2 | Q8 M9 N14 N15 | Q8-M12 PolarHBondContact O-N 3.46Å; M9-M12 PolarHBondContact O-N 3.14Å; M12-N14 PolarHBondContact O-N 3.11Å; M12-N15 PolarHBondContact O-N 3.09Å; M12-N15 PolarHBondContact O-OD1 3.07Å |
| 13 | V | 61.3 | Low | 76.1 | Confident | 120 Ų | 120 | 75.9 Ų | 75.9 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.5 | -21.6 | -177.9 | 171.1 | 0 | 0 | 0 | 0 | 113.6 | M9 | M9-V13 WeakPolarHBondContact O-CG2 3.24Å; M9-V13 PolarHBondContact O-N 3.18Å |
| 14 | N | 67.3 | Low | 77.2 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 5.7 | 180 | -83.7 | 110.3 | 0 | 0 | 0 | 114.1 | K10 M12 Y16 | K10-N14 WeakPolarHBondContact CG-OD1 3.44Å; K10-N14 WeakPolarHBondContact O-CB 3.29Å; K10-N14 PolarHBondContact O-N 3.36Å; K10-N14 PolarHBondContact O-OD1 2.94Å; K10-N14 VanDerWaalsContact O-OD1 3.14Å; M12-N14 PolarHBondContact O-N 3.11Å; N14-Y16 HydrophobicContact CB-CD2 3.64Å; N14-Y16 HydrophobicContact CB-CE1 4.26Å; N14-Y16 HydrophobicContact CB-CE2 3.16Å; N14-Y16 HydrophobicContact CB-CG 4.32Å; N14-Y16 PolarHBondContact O-N 3.15Å; N14-Y16 VanDerWaalsContact O-N 3.08Å |
| 15 | N | 76.1 | Confident | 78.1 | Confident | 147 Ų | 147 | 75.4 Ų | 75.4 | 79% | 0.786 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 32 | 179.1 | -71.8 | 43.9 | 0 | 0 | 0 | 115.3 | M12 | M12-N15 PolarHBondContact O-N 3.09Å; M12-N15 PolarHBondContact O-OD1 3.07Å |
| 16 | Y | 76.8 | Confident | 79.1 | Confident | 43 Ų | 43 | 72 Ų | 72 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | trans | -62.6 | 141.7 | -178.5 | -68.9 | -57.9 | 0 | 0 | 0 | 112.5 | N11 N14 E20 K21 R24 M58 | N11-Y16 HydrophobicContact CB-CD2 4.34Å; N14-Y16 HydrophobicContact CB-CD2 3.64Å; N14-Y16 HydrophobicContact CB-CE1 4.26Å; N14-Y16 HydrophobicContact CB-CE2 3.16Å; N14-Y16 HydrophobicContact CB-CG 4.32Å; N14-Y16 PolarHBondContact O-N 3.15Å; N14-Y16 VanDerWaalsContact O-N 3.08Å; Y16-E20 WeakPolarHBondContact CA-OE2 3.4Å; Y16-E20 HydrophobicContact CD1-CB 4.4Å; Y16-E20 VanDerWaalsContact CD1-OE1 3.3Å; Y16-E20 WeakPolarHBondContact CD1-OE1 3.46Å; Y16-E20 WeakPolarHBondContact CD1-OE2 3.11Å; Y16-E20 HydrophobicContact CG-CB 4.45Å; Y16-K21 WeakPolarHBondContact O-CE 3.31Å; Y16-K21 PolarHBondContact O-NZ 2.81Å; Y16-R24 VanDerWaalsContact CE2-NH1 3.26Å; Y16-R24 VanDerWaalsContact CZ-CZ 3.5Å; Y16-R24 PolarHBondContact OH-NH1 3.34Å; Y16-R24 VanDerWaalsContact OH-NH1 3.1Å; Y16-M58 HydrophobicContact CE1-CE 4.35Å | ||
| 17 | S | 84.8 | Confident | 80 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | trans | -57.2 | 151 | 169.9 | 162.8 | 0 | 0 | 0 | 0 | 111.3 | A19 E20 K21 E54 | S17-A19 PolarHBondContact O-N 3.14Å; S17-A19 PolarHBondContact OG-N 3.02Å; S17-E20 PolarHBondContact N-OE2 2.89Å; S17-E20 WeakPolarHBondContact O-CB 3.44Å; S17-E20 PolarHBondContact O-N 3.37Å; S17-K21 WeakPolarHBondContact O-CG 3.46Å; S17-K21 PolarHBondContact O-N 2.76Å; S17-E54 VanDerWaalsContact CB-CD 3.41Å; S17-E54 VanDerWaalsContact CB-OE1 3.27Å; S17-E54 WeakPolarHBondContact CB-OE1 3.45Å; S17-E54 WeakPolarHBondContact CB-OE2 3.48Å; S17-E54 PolarHBondContact OG-OE2 3.07Å | ||
| 18 | D | 85.5 | Confident | 80.5 | Confident | 104 Ų | 104 | 62 Ų | 62 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.6 | -28.4 | 177.9 | -72.1 | -31.8 | 0 | 0 | 0 | 112.6 | K21 K22 | D18-K21 PolarHBondContact O-N 3.14Å; D18-K21 WeakPolarHBondContact OD1-CD 3.23Å; D18-K21 WeakPolarHBondContact OD1-CE 3.47Å; D18-K21 IonicContact OD1-NZ 3.09Å; D18-K21 PolarHBondContact OD1-NZ 3.49Å; D18-K22 WeakPolarHBondContact O-CG 3.34Å; D18-K22 PolarHBondContact O-N 3.35Å |
| 19 | A | 88.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S17 K21 K22 V23 L45 A51 I55 | S17-A19 PolarHBondContact O-N 3.14Å; S17-A19 PolarHBondContact OG-N 3.02Å; A19-K21 PolarHBondContact O-N 3.09Å; A19-K22 PolarHBondContact O-N 2.96Å; A19-V23 WeakPolarHBondContact O-CG2 3.39Å; A19-V23 PolarHBondContact O-N 3.43Å; A19-L45 HydrophobicContact CB-CD1 4.2Å; A19-A51 HydrophobicContact CB-CB 3.78Å; A19-I55 HydrophobicContact CB-CD1 4.18Å; A19-I55 HydrophobicContact CB-CG1 4Å |
| 20 | E | 89.3 | Confident | 82.1 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 173.5 | -66.2 | -176.6 | 96.2 | 0 | 0 | 112.4 | Y16 S17 K22 V23 R24 E54 M58 | Y16-E20 WeakPolarHBondContact CA-OE2 3.4Å; Y16-E20 HydrophobicContact CD1-CB 4.4Å; Y16-E20 VanDerWaalsContact CD1-OE1 3.3Å; Y16-E20 WeakPolarHBondContact CD1-OE1 3.46Å; Y16-E20 WeakPolarHBondContact CD1-OE2 3.11Å; Y16-E20 HydrophobicContact CG-CB 4.45Å; S17-E20 PolarHBondContact N-OE2 2.89Å; S17-E20 WeakPolarHBondContact O-CB 3.44Å; S17-E20 PolarHBondContact O-N 3.37Å; E20-K22 PolarHBondContact O-N 3.11Å; E20-V23 PolarHBondContact O-N 2.94Å; E20-R24 VanDerWaalsContact O-CB 3.29Å; E20-R24 WeakPolarHBondContact O-CB 3.1Å; E20-R24 VanDerWaalsContact O-CD 3.27Å; E20-R24 WeakPolarHBondContact O-CD 3.42Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 3.29Å; E20-E54 HydrophobicContact CG-CB 3.85Å; E20-M58 HydrophobicContact CB-CE 4.11Å; E20-M58 HydrophobicContact CG-CE 4.03Å; E20-M58 WeakPolarHBondContact OE1-CE 3.31Å |
| 21 | K | 89.6 | Confident | 82.8 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57 | -50 | 176.9 | -67 | -173.1 | -166.5 | 81.5 | 0 | 110.1 | N11 Y16 S17 D18 A19 R24 E25 | N11-K21 HydrophobicContact CB-CG 4.37Å; Y16-K21 WeakPolarHBondContact O-CE 3.31Å; Y16-K21 PolarHBondContact O-NZ 2.81Å; S17-K21 WeakPolarHBondContact O-CG 3.46Å; S17-K21 PolarHBondContact O-N 2.76Å; D18-K21 PolarHBondContact O-N 3.14Å; D18-K21 WeakPolarHBondContact OD1-CD 3.23Å; D18-K21 WeakPolarHBondContact OD1-CE 3.47Å; D18-K21 IonicContact OD1-NZ 3.09Å; D18-K21 PolarHBondContact OD1-NZ 3.49Å; A19-K21 PolarHBondContact O-N 3.09Å; K21-R24 PolarHBondContact O-N 2.9Å; K21-E25 PolarHBondContact O-N 2.67Å; K21-E25 VanDerWaalsContact O-N 3.08Å |
| 22 | K | 91.4 | Very high | 83.4 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 27% | 0.274 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 178.1 | -69.6 | -171.9 | -172 | -164.4 | 0 | 112.4 | D18 A19 E20 R24 E25 A26 L38 E41 V42 L45 | D18-K22 WeakPolarHBondContact O-CG 3.34Å; D18-K22 PolarHBondContact O-N 3.35Å; A19-K22 PolarHBondContact O-N 2.96Å; E20-K22 PolarHBondContact O-N 3.11Å; K22-R24 PolarHBondContact O-N 3.41Å; K22-E25 PolarHBondContact O-N 3.1Å; K22-A26 PolarHBondContact O-N 2.68Å; K22-L38 HydrophobicContact CB-CD1 3.78Å; K22-L38 HydrophobicContact CD-CD1 4.16Å; K22-L38 HydrophobicContact CG-CD1 3.84Å; K22-E41 HydrophobicContact CD-CB 4.29Å; K22-E41 WeakPolarHBondContact CE-OE2 3.46Å; K22-E41 IonicContact NZ-OE2 3.76Å; K22-E41 PolarHBondContact NZ-OE2 2.83Å; K22-V42 HydrophobicContact CB-CG2 3.66Å; K22-L45 HydrophobicContact CD-CD1 4.02Å |
| 23 | V | 93.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 112 | A19 E20 E25 A26 T27 V42 I55 M58 I59 L79 | A19-V23 WeakPolarHBondContact O-CG2 3.39Å; A19-V23 PolarHBondContact O-N 3.43Å; E20-V23 PolarHBondContact O-N 2.94Å; V23-E25 PolarHBondContact O-N 3.45Å; V23-A26 PolarHBondContact O-N 2.67Å; V23-T27 HydrophobicContact CG1-CG2 4.29Å; V23-T27 WeakPolarHBondContact O-CB 3.48Å; V23-T27 WeakPolarHBondContact O-CG2 3.38Å; V23-T27 PolarHBondContact O-N 3.23Å; V23-T27 PolarHBondContact O-OG1 3Å; V23-V42 HydrophobicContact CG2-CG1 3.75Å; V23-V42 HydrophobicContact CG2-CG2 4.26Å; V23-I55 HydrophobicContact CG2-CB 4.13Å; V23-I55 HydrophobicContact CG2-CG1 3.78Å; V23-I55 HydrophobicContact CG2-CG2 3.9Å; V23-M58 HydrophobicContact CB-CB 4.44Å; V23-M58 HydrophobicContact CB-CG 4.17Å; V23-M58 HydrophobicContact CG1-CB 3.85Å; V23-M58 HydrophobicContact CG1-CG 3.62Å; V23-I59 HydrophobicContact CG1-CG1 3.9Å; V23-L79 HydrophobicContact CG1-CD2 4.06Å; V23-L79 HydrophobicContact CG2-CD2 4.32Å |
| 24 | R | 91.1 | Very high | 85.7 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -23.2 | 177.6 | -70.9 | 162.5 | 61.8 | 92.4 | -4 | 113.1 | N11 Y16 E20 K21 K22 S28 M58 | N11-R24 VanDerWaalsContact OD1-CZ 3.27Å; N11-R24 PolarHBondContact OD1-NE 2.93Å; N11-R24 PolarHBondContact OD1-NH2 3.04Å; Y16-R24 VanDerWaalsContact CE2-NH1 3.26Å; Y16-R24 VanDerWaalsContact CZ-CZ 3.5Å; Y16-R24 PolarHBondContact OH-NH1 3.34Å; Y16-R24 VanDerWaalsContact OH-NH1 3.1Å; E20-R24 VanDerWaalsContact O-CB 3.29Å; E20-R24 WeakPolarHBondContact O-CB 3.1Å; E20-R24 VanDerWaalsContact O-CD 3.27Å; E20-R24 WeakPolarHBondContact O-CD 3.42Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 3.29Å; K21-R24 PolarHBondContact O-N 2.9Å; K22-R24 PolarHBondContact O-N 3.41Å; R24-S28 PolarHBondContact O-N 3.24Å; R24-M58 HydrophobicContact CG-CE 4.13Å; R24-M58 HydrophobicContact CG-CG 3.93Å; R24-M58 HydrophobicContact CG-SD 3.61Å |
| 25 | E | 90.4 | Very high | 86.8 | Confident | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -83.5 | -46.1 | 172.9 | -172.9 | 163.3 | 173 | 0 | 0 | 112 | K21 K22 V23 T27 S28 L38 | K21-E25 PolarHBondContact O-N 2.67Å; K21-E25 VanDerWaalsContact O-N 3.08Å; K22-E25 PolarHBondContact O-N 3.1Å; V23-E25 PolarHBondContact O-N 3.45Å; E25-T27 PolarHBondContact O-N 3.17Å; E25-S28 WeakPolarHBondContact O-CB 3.35Å; E25-S28 PolarHBondContact O-N 2.94Å; E25-S28 PolarHBondContact O-OG 3.29Å; E25-L38 HydrophobicContact CB-CD2 4.06Å; E25-L38 HydrophobicContact CG-CD2 3.87Å |
| 26 | A | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -37.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | K22 V23 S28 P34 L38 K75 L79 | K22-A26 PolarHBondContact O-N 2.68Å; V23-A26 PolarHBondContact O-N 2.67Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.13Å; A26-P34 HydrophobicContact CB-CB 4.04Å; A26-L38 HydrophobicContact CB-CD2 3.95Å; A26-L38 HydrophobicContact CB-CG 4.29Å; A26-K75 WeakPolarHBondContact O-CE 3.33Å; A26-L79 HydrophobicContact CB-CD1 4.43Å; A26-L79 HydrophobicContact CB-CD2 4.07Å |
| 27 | T | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 26.1 | 175.4 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | V23 E25 R62 H72 A76 L79 | V23-T27 HydrophobicContact CG1-CG2 4.29Å; V23-T27 WeakPolarHBondContact O-CB 3.48Å; V23-T27 WeakPolarHBondContact O-CG2 3.38Å; V23-T27 PolarHBondContact O-N 3.23Å; V23-T27 PolarHBondContact O-OG1 3Å; E25-T27 PolarHBondContact O-N 3.17Å; T27-R62 HydrophobicContact CG2-CB 4.44Å; T27-R62 HydrophobicContact CG2-CG 4.28Å; T27-R62 PolarHBondContact O-NH2 3.36Å; T27-R62 VanDerWaalsContact O-NH2 3.09Å; T27-R62 PolarHBondContact OG1-NE 3.1Å; T27-H72 PolarHBondContact O-CD2 3.24Å; T27-A76 HydrophobicContact CG2-CB 3.99Å; T27-L79 HydrophobicContact CG2-CD2 4.25Å |
| 28 | S | 87.1 | Confident | 88.4 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | trans | -68.3 | 155.3 | 178.5 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | R24 E25 A26 D30 K75 | R24-S28 PolarHBondContact O-N 3.24Å; E25-S28 WeakPolarHBondContact O-CB 3.35Å; E25-S28 PolarHBondContact O-N 2.94Å; E25-S28 PolarHBondContact O-OG 3.29Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.13Å; S28-D30 WeakPolarHBondContact CB-OD2 3.43Å; S28-D30 PolarHBondContact O-N 3.31Å; S28-D30 VanDerWaalsContact O-N 3.16Å; S28-D30 WeakPolarHBondContact OG-CB 3.25Å; S28-D30 PolarHBondContact OG-N 3.16Å; S28-D30 PolarHBondContact OG-OD2 2.77Å; S28-K75 WeakPolarHBondContact O-CD 3.34Å; S28-K75 VanDerWaalsContact O-CE 3.22Å; S28-K75 WeakPolarHBondContact O-CE 3.31Å; S28-K75 PolarHBondContact O-NZ 3.07Å; S28-K75 PolarHBondContact OG-NZ 3.19Å | ||
| 29 | N | 85.7 | Confident | 88.8 | Confident | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -73.3 | 4.4 | 171.5 | -159 | 44.4 | 0 | 0 | 0 | 113.7 | R71 | N29-R71 WeakPolarHBondContact OD1-CB 3.44Š|
| 30 | D | 84.4 | Confident | 89 | Confident | 14 Ų | 14 | 47 Ų | 47 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -66.6 | 142.2 | -179.4 | -46 | -36.6 | 0 | 0 | 0 | 109 | R7 S28 W32 K75 | R7-D30 IonicContact CZ-OD2 3.41Å; R7-D30 VanDerWaalsContact CZ-OD2 3.26Å; R7-D30 IonicContact NH1-OD1 3.05Å; R7-D30 PolarHBondContact NH1-OD1 2.98Å; R7-D30 IonicContact NH1-OD2 2.76Å; R7-D30 PolarHBondContact NH1-OD2 3.31Å; R7-D30 IonicContact NH2-OD2 3.21Å; R7-D30 PolarHBondContact NH2-OD2 3.4Å; S28-D30 WeakPolarHBondContact CB-OD2 3.43Å; S28-D30 PolarHBondContact O-N 3.31Å; S28-D30 VanDerWaalsContact O-N 3.16Å; S28-D30 WeakPolarHBondContact OG-CB 3.25Å; S28-D30 PolarHBondContact OG-N 3.16Å; S28-D30 PolarHBondContact OG-OD2 2.77Å; D30-W32 VanDerWaalsContact C-N 3.28Å; D30-W32 HydrophobicContact CB-CD2 4.11Å; D30-W32 HydrophobicContact CB-CE3 4.32Å; D30-W32 HydrophobicContact CB-CH2 3.81Å; D30-W32 HydrophobicContact CB-CZ2 3.56Å; D30-W32 HydrophobicContact CB-CZ3 4.19Å; D30-W32 PolarHBondContact O-N 3.06Å; D30-W32 VanDerWaalsContact O-O 3.13Å; D30-K75 PolarHBondContact O-NZ 3.47Å |
| 31 | P | 81 | Confident | 89.2 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 58% | 0.578 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -70.4 | -17.9 | -162.2 | 23.9 | -33.5 | 0 | 0 | 0 | 115.5 | R71 | P31-R71 PolarHBondContact O-NH1 2.9Š|
| 32 | W | 82.7 | Confident | 89.4 | Confident | 169 Ų | 169 | 45.2 Ų | 45.2 | 64% | 0.64 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -84.2 | 159.4 | 173.8 | 55.3 | 93.7 | 0 | 0 | 0 | 112.5 | D30 K75 | D30-W32 VanDerWaalsContact C-N 3.28Å; D30-W32 HydrophobicContact CB-CD2 4.11Å; D30-W32 HydrophobicContact CB-CE3 4.32Å; D30-W32 HydrophobicContact CB-CH2 3.81Å; D30-W32 HydrophobicContact CB-CZ2 3.56Å; D30-W32 HydrophobicContact CB-CZ3 4.19Å; D30-W32 PolarHBondContact O-N 3.06Å; D30-W32 VanDerWaalsContact O-O 3.13Å; W32-K75 VanDerWaalsContact O-CE 3.3Å; W32-K75 WeakPolarHBondContact O-CE 3.5Å; W32-K75 PolarHBondContact O-NZ 3.19Å |
| 33 | G | 83.4 | Confident | 89.5 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -68 | 166.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 34 | P | 87.9 | Confident | 89.5 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.9 | 172.3 | 27.6 | -35.9 | 0 | 0 | 0 | 111.9 | A26 M39 T78 | A26-P34 HydrophobicContact CB-CB 4.04Å; P34-M39 HydrophobicContact CB-CG 3.84Å; P34-M39 HydrophobicContact CB-SD 4.03Å; P34-M39 HydrophobicContact CG-CE 4.31Å; P34-M39 HydrophobicContact CG-CG 4.02Å; P34-M39 HydrophobicContact CG-SD 3.52Å; P34-M39 VanDerWaalsContact CG-SD 3.52Å; P34-T78 HydrophobicContact CG-CG2 3.88Å |
| 35 | S | 89.4 | Confident | 89.7 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 143.2 | 175 | 177 | 0 | 0 | 0 | 0 | 111.5 | S37 L38 M39 | S35-S37 VanDerWaalsContact C-N 3.33Å; S35-S37 PolarHBondContact O-N 3.29Å; S35-L38 PolarHBondContact O-N 3.31Å; S35-M39 WeakPolarHBondContact O-CG 3.23Å; S35-M39 PolarHBondContact O-N 3.44Å |
| 36 | S | 89.3 | Confident | 89.8 | Confident | 66 Ų | 66 | 43 Ų | 43 | 46% | 0.462 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -36 | -179.9 | -163.5 | 0 | 0 | 0 | 0 | 113 | M39 S40 | S36-M39 PolarHBondContact O-N 3.24Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 3.02Å; S36-S40 PolarHBondContact O-OG 3.34Å |
| 37 | S | 90.8 | Very high | 89.9 | Confident | 71 Ų | 71 | 48.3 Ų | 48.3 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 172.4 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | S35 M39 S40 E41 | S35-S37 VanDerWaalsContact C-N 3.33Å; S35-S37 PolarHBondContact O-N 3.29Å; S37-M39 VanDerWaalsContact C-N 3.29Å; S37-M39 PolarHBondContact O-N 2.92Å; S37-S40 CarbonylContact O-C 3.58Å; S37-S40 WeakPolarHBondContact O-CA 3.33Å; S37-S40 VanDerWaalsContact O-CB 3.3Å; S37-S40 WeakPolarHBondContact O-CB 3.35Å; S37-S40 PolarHBondContact O-N 3.42Å; S37-E41 VanDerWaalsContact C-OE1 3.25Å; S37-E41 VanDerWaalsContact O-CG 3.3Å; S37-E41 WeakPolarHBondContact O-CG 3.38Å; S37-E41 PolarHBondContact O-N 3.18Å; S37-E41 PolarHBondContact OG-OE1 2.91Å |
| 38 | L | 92.4 | Very high | 90 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.12 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | -178.9 | -174.2 | 63.4 | 0 | 0 | 0 | 112.2 | K22 E25 A26 S35 V42 | K22-L38 HydrophobicContact CB-CD1 3.78Å; K22-L38 HydrophobicContact CD-CD1 4.16Å; K22-L38 HydrophobicContact CG-CD1 3.84Å; E25-L38 HydrophobicContact CB-CD2 4.06Å; E25-L38 HydrophobicContact CG-CD2 3.87Å; A26-L38 HydrophobicContact CB-CD2 3.95Å; A26-L38 HydrophobicContact CB-CG 4.29Å; S35-L38 PolarHBondContact O-N 3.31Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.37Å; L38-V42 PolarHBondContact O-N 3.31Å; L38-V42 VanDerWaalsContact O-N 3.09Å |
| 39 | M | 93.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 172.1 | -68.1 | -167.2 | -68.3 | 0 | 0 | 112.2 | P34 S35 S36 S37 V42 A43 T78 L79 Y82 | P34-M39 HydrophobicContact CB-CG 3.84Å; P34-M39 HydrophobicContact CB-SD 4.03Å; P34-M39 HydrophobicContact CG-CE 4.31Å; P34-M39 HydrophobicContact CG-CG 4.02Å; P34-M39 HydrophobicContact CG-SD 3.52Å; P34-M39 VanDerWaalsContact CG-SD 3.52Å; S35-M39 WeakPolarHBondContact O-CG 3.23Å; S35-M39 PolarHBondContact O-N 3.44Å; S36-M39 PolarHBondContact O-N 3.24Å; S37-M39 VanDerWaalsContact C-N 3.29Å; S37-M39 PolarHBondContact O-N 2.92Å; M39-V42 PolarHBondContact O-N 3Å; M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 3.39Å; M39-T78 HydrophobicContact SD-CG2 4.36Å; M39-L79 HydrophobicContact CB-CD1 4.41Å; M39-L79 HydrophobicContact CG-CD1 4.03Å; M39-Y82 VanDerWaalsContact C-CE1 3.44Å; M39-Y82 HydrophobicContact CB-CD1 3.65Å; M39-Y82 HydrophobicContact CB-CD2 4.47Å; M39-Y82 HydrophobicContact CB-CE1 3.79Å; M39-Y82 HydrophobicContact CB-CG 4.02Å; M39-Y82 HydrophobicContact CE-CD2 4.4Å; M39-Y82 WeakPolarHBondContact O-CE1 3.16Å; M39-Y82 HydrophobicContact SD-CD2 4.5Å; M39-Y82 HydrophobicContact SD-CG 4.18Å |
| 40 | S | 92.8 | Very high | 90.4 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | S36 S37 V42 A43 D44 Y82 K150 | S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 3.02Å; S36-S40 PolarHBondContact O-OG 3.34Å; S37-S40 CarbonylContact O-C 3.58Å; S37-S40 WeakPolarHBondContact O-CA 3.33Å; S37-S40 VanDerWaalsContact O-CB 3.3Å; S37-S40 WeakPolarHBondContact O-CB 3.35Å; S37-S40 PolarHBondContact O-N 3.42Å; S40-V42 PolarHBondContact O-N 3.38Å; S40-A43 WeakPolarHBondContact O-CA 3.22Å; S40-A43 VanDerWaalsContact O-CB 3.31Å; S40-A43 WeakPolarHBondContact O-CB 3.36Å; S40-A43 PolarHBondContact O-N 3.01Å; S40-A43 VanDerWaalsContact O-N 3.09Å; S40-D44 PolarHBondContact O-N 3.31Å; S40-Y82 PolarHBondContact OG-OH 3.45Å; S40-K150 PolarHBondContact O-NZ 3.46Å |
| 41 | E | 93.3 | Very high | 90.7 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 179.3 | -67.5 | 163.5 | -120.2 | 0 | 0 | 112.7 | K22 S37 D44 L45 | K22-E41 HydrophobicContact CD-CB 4.29Å; K22-E41 WeakPolarHBondContact CE-OE2 3.46Å; K22-E41 IonicContact NZ-OE2 3.76Å; K22-E41 PolarHBondContact NZ-OE2 2.83Å; S37-E41 VanDerWaalsContact C-OE1 3.25Å; S37-E41 VanDerWaalsContact O-CG 3.3Å; S37-E41 WeakPolarHBondContact O-CG 3.38Å; S37-E41 PolarHBondContact O-N 3.18Å; S37-E41 PolarHBondContact OG-OE1 2.91Å; E41-D44 PolarHBondContact O-N 3.44Å; E41-L45 WeakPolarHBondContact O-CG 3.26Å; E41-L45 PolarHBondContact O-N 3.49Å |
| 42 | V | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.2 | -38 | 173.3 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | K22 V23 L38 M39 S40 D44 L45 T46 I55 L79 L83 | K22-V42 HydrophobicContact CB-CG2 3.66Å; V23-V42 HydrophobicContact CG2-CG1 3.75Å; V23-V42 HydrophobicContact CG2-CG2 4.26Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.37Å; L38-V42 PolarHBondContact O-N 3.31Å; L38-V42 VanDerWaalsContact O-N 3.09Å; M39-V42 PolarHBondContact O-N 3Å; S40-V42 PolarHBondContact O-N 3.38Å; V42-D44 VanDerWaalsContact C-N 3.35Å; V42-D44 PolarHBondContact O-N 3.39Å; V42-L45 PolarHBondContact O-N 2.92Å; V42-T46 WeakPolarHBondContact O-CG2 3.43Å; V42-T46 PolarHBondContact O-N 2.78Å; V42-T46 VanDerWaalsContact O-N 3.1Å; V42-I55 HydrophobicContact CG1-CD1 4.07Å; V42-I55 HydrophobicContact CG1-CG1 4.27Å; V42-I55 HydrophobicContact CG1-CG2 3.99Å; V42-L79 HydrophobicContact CB-CD1 4.34Å; V42-L79 HydrophobicContact CG1-CD1 4.23Å; V42-L79 HydrophobicContact CG1-CD2 4.47Å; V42-L83 HydrophobicContact CB-CD2 4.47Å; V42-L83 HydrophobicContact CG1-CD1 4.18Å; V42-L83 HydrophobicContact CG1-CD2 4Å |
| 43 | A | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | M39 S40 L45 T46 Y47 Y82 L83 T86 | M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 3.39Å; S40-A43 WeakPolarHBondContact O-CA 3.22Å; S40-A43 VanDerWaalsContact O-CB 3.31Å; S40-A43 WeakPolarHBondContact O-CB 3.36Å; S40-A43 PolarHBondContact O-N 3.01Å; S40-A43 VanDerWaalsContact O-N 3.09Å; A43-L45 VanDerWaalsContact C-N 3.34Å; A43-L45 PolarHBondContact O-N 3.16Å; A43-T46 PolarHBondContact O-N 3.45Å; A43-T46 VanDerWaalsContact O-N 3.12Å; A43-T46 PolarHBondContact O-OG1 2.99Å; A43-Y47 WeakPolarHBondContact O-CD2 3.21Å; A43-Y82 HydrophobicContact CB-CD1 4.35Å; A43-Y82 HydrophobicContact CB-CE1 3.88Å; A43-L83 HydrophobicContact CB-CD2 3.71Å; A43-T86 WeakPolarHBondContact CB-OG1 3.46Å |
| 44 | D | 93.7 | Very high | 92.2 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.3 | -34.1 | 178.1 | -60.8 | -40.7 | 0 | 0 | 0 | 111.7 | S40 E41 V42 T46 Y47 K150 | S40-D44 PolarHBondContact O-N 3.31Å; E41-D44 PolarHBondContact O-N 3.44Å; V42-D44 VanDerWaalsContact C-N 3.35Å; V42-D44 PolarHBondContact O-N 3.39Å; D44-T46 VanDerWaalsContact C-N 3.3Å; D44-T46 PolarHBondContact O-N 3.42Å; D44-Y47 PolarHBondContact O-N 3.11Å; D44-K150 IonicContact OD1-NZ 2.67Å; D44-K150 PolarHBondContact OD1-NZ 2.97Å; D44-K150 IonicContact OD2-NZ 3.26Å; D44-K150 PolarHBondContact OD2-NZ 3.3Å |
| 45 | L | 94 | Very high | 92.5 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -24.1 | 171 | -71.9 | 171.2 | 0 | 0 | 0 | 114.1 | A19 K22 E41 V42 A43 Y47 N48 I55 | A19-L45 HydrophobicContact CB-CD1 4.2Å; K22-L45 HydrophobicContact CD-CD1 4.02Å; E41-L45 WeakPolarHBondContact O-CG 3.26Å; E41-L45 PolarHBondContact O-N 3.49Å; V42-L45 PolarHBondContact O-N 2.92Å; A43-L45 VanDerWaalsContact C-N 3.34Å; A43-L45 PolarHBondContact O-N 3.16Å; L45-Y47 PolarHBondContact O-N 3.41Å; L45-N48 PolarHBondContact O-N 3.32Å; L45-N48 VanDerWaalsContact O-N 3.09Å; L45-I55 HydrophobicContact CB-CD1 3.84Å |
| 46 | T | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.9 | 176.7 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | V42 A43 D44 N48 I55 L83 G87 S88 V91 | V42-T46 WeakPolarHBondContact O-CG2 3.43Å; V42-T46 PolarHBondContact O-N 2.78Å; V42-T46 VanDerWaalsContact O-N 3.1Å; A43-T46 PolarHBondContact O-N 3.45Å; A43-T46 VanDerWaalsContact O-N 3.12Å; A43-T46 PolarHBondContact O-OG1 2.99Å; D44-T46 VanDerWaalsContact C-N 3.3Å; D44-T46 PolarHBondContact O-N 3.42Å; T46-N48 VanDerWaalsContact C-N 3.33Å; T46-I55 HydrophobicContact CG2-CD1 3.92Å; T46-I55 HydrophobicContact CG2-CG2 4.09Å; T46-L83 HydrophobicContact CG2-CD1 4.29Å; T46-L83 HydrophobicContact CG2-CD2 3.95Å; T46-G87 WeakPolarHBondContact OG1-CA 3.32Å; T46-S88 WeakPolarHBondContact O-CB 3.39Å; T46-S88 PolarHBondContact OG1-N 2.86Å; T46-V91 HydrophobicContact CG2-CG2 4Å |
| 47 | Y | 93 | Very high | 92.9 | Very high | 112 Ų | 112 | 46.3 Ų | 46.3 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -20 | 172.1 | -66.1 | -89.7 | 0 | 0 | 0 | 112.5 | A43 D44 L45 T86 G87 | A43-Y47 WeakPolarHBondContact O-CD2 3.21Å; D44-Y47 PolarHBondContact O-N 3.11Å; L45-Y47 PolarHBondContact O-N 3.41Å; Y47-T86 PolarHBondContact OH-O 3.04Å; Y47-G87 PolarHBondContact OH-O 3.14Å; Y47-G87 VanDerWaalsContact OH-O 3.07Å |
| 48 | N | 94.1 | Very high | 93 | Very high | 86 Ų | 86 | 43.5 Ų | 43.5 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -79.9 | 124.6 | 170.9 | 176.4 | -25.5 | 0 | 0 | 0 | 110.2 | L45 T46 V50 A51 F52 | L45-N48 PolarHBondContact O-N 3.32Å; L45-N48 VanDerWaalsContact O-N 3.09Å; T46-N48 VanDerWaalsContact C-N 3.33Å; N48-V50 VanDerWaalsContact C-N 3.31Å; N48-V50 PolarHBondContact O-N 2.78Å; N48-V50 PolarHBondContact OD1-N 3.24Å; N48-A51 HydrophobicContact CB-CB 4.06Å; N48-A51 PolarHBondContact O-N 3.18Å; N48-A51 PolarHBondContact OD1-N 3.5Å; N48-F52 WeakPolarHBondContact O-CB 3.35Å; N48-F52 PolarHBondContact O-N 3.38Å |
| 49 | V | 89.7 | Confident | 93.2 | Very high | 95 Ų | 95 | 42.4 Ų | 42.4 | 58% | 0.576 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.2 | -33.3 | -173.5 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | S53 | V49-S53 PolarHBondContact O-OG 2.83Å |
| 50 | V | 90.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 43.6 Ų | 43.6 | 61% | 0.606 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -75.5 | -56.2 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | N48 F52 S53 E54 | N48-V50 VanDerWaalsContact C-N 3.31Å; N48-V50 PolarHBondContact O-N 2.78Å; N48-V50 PolarHBondContact OD1-N 3.24Å; V50-F52 PolarHBondContact O-N 2.85Å; V50-S53 PolarHBondContact O-N 3.39Å; V50-E54 PolarHBondContact O-N 2.93Å |
| 51 | A | 91.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 5% | 0.05 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.3 | -35.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A19 N48 S53 E54 I55 | A19-A51 HydrophobicContact CB-CB 3.78Å; N48-A51 HydrophobicContact CB-CB 4.06Å; N48-A51 PolarHBondContact O-N 3.18Å; N48-A51 PolarHBondContact OD1-N 3.5Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.31Å; A51-E54 PolarHBondContact O-N 3.44Å; A51-I55 HydrophobicContact CB-CD1 4.39Å; A51-I55 WeakPolarHBondContact O-CB 3.42Å; A51-I55 WeakPolarHBondContact O-CD1 3.48Å; A51-I55 WeakPolarHBondContact O-CG1 3.02Å; A51-I55 PolarHBondContact O-N 3.28Å |
| 52 | F | 93.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -50.8 | -48.6 | 173.1 | 174.9 | -90.1 | 0 | 0 | 0 | 112.7 | N48 V50 I55 M56 R90 V91 Q94 | N48-F52 WeakPolarHBondContact O-CB 3.35Å; N48-F52 PolarHBondContact O-N 3.38Å; V50-F52 PolarHBondContact O-N 2.85Å; F52-I55 PolarHBondContact O-N 3.01Å; F52-M56 HydrophobicContact CD1-CG 4.4Å; F52-M56 HydrophobicContact CD2-CG 4.48Å; F52-M56 HydrophobicContact CE1-CG 4Å; F52-M56 HydrophobicContact CE2-CG 4.08Å; F52-M56 HydrophobicContact CZ-CG 3.82Å; F52-M56 WeakPolarHBondContact O-CG 3.38Å; F52-M56 PolarHBondContact O-N 3.34Å; F52-R90 HydrophobicContact CD2-CB 4.23Å; F52-R90 HydrophobicContact CE1-CB 4.41Å; F52-R90 HydrophobicContact CE2-CB 3.48Å; F52-R90 VanDerWaalsContact CE2-CB 3.48Å; F52-R90 VanDerWaalsContact CG-NH1 3.29Å; F52-R90 HydrophobicContact CZ-CB 3.6Å; F52-R90 WeakPolarHBondContact CZ-O 3.33Å; F52-V91 HydrophobicContact CD2-CG2 4.3Å; F52-V91 HydrophobicContact CE2-CB 4.45Å; F52-V91 HydrophobicContact CE2-CG2 3.71Å; F52-Q94 HydrophobicContact CE1-CG 4.33Å; F52-Q94 HydrophobicContact CZ-CG 4.06Å |
| 53 | S | 92.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.1 | -39 | -176.6 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | V49 V50 A51 N57 | V49-S53 PolarHBondContact O-OG 2.83Å; V50-S53 PolarHBondContact O-N 3.39Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.31Å; S53-N57 VanDerWaalsContact O-CB 3.25Å; S53-N57 WeakPolarHBondContact O-CB 3.3Å; S53-N57 PolarHBondContact O-N 3.32Å; S53-N57 PolarHBondContact O-ND2 3.28Å; S53-N57 VanDerWaalsContact O-ND2 3.1Å |
| 54 | E | 92.7 | Very high | 93.1 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.243 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 174.2 | -60.2 | 175.6 | 151.7 | 0 | 0 | 111.7 | S17 E20 V50 A51 M58 | S17-E54 VanDerWaalsContact CB-CD 3.41Å; S17-E54 VanDerWaalsContact CB-OE1 3.27Å; S17-E54 WeakPolarHBondContact CB-OE1 3.45Å; S17-E54 WeakPolarHBondContact CB-OE2 3.48Å; S17-E54 PolarHBondContact OG-OE2 3.07Å; E20-E54 HydrophobicContact CG-CB 3.85Å; V50-E54 PolarHBondContact O-N 2.93Å; A51-E54 PolarHBondContact O-N 3.44Å; E54-M58 VanDerWaalsContact O-CB 3.3Å; E54-M58 WeakPolarHBondContact O-CB 3.43Å; E54-M58 PolarHBondContact O-N 3.13Å |
| 55 | I | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -52.1 | 178.3 | -70.7 | 162.7 | 0 | 0 | 0 | 110.4 | A19 V23 V42 L45 T46 A51 F52 M58 I59 L83 | A19-I55 HydrophobicContact CB-CD1 4.18Å; A19-I55 HydrophobicContact CB-CG1 4Å; V23-I55 HydrophobicContact CG2-CB 4.13Å; V23-I55 HydrophobicContact CG2-CG1 3.78Å; V23-I55 HydrophobicContact CG2-CG2 3.9Å; V42-I55 HydrophobicContact CG1-CD1 4.07Å; V42-I55 HydrophobicContact CG1-CG1 4.27Å; V42-I55 HydrophobicContact CG1-CG2 3.99Å; L45-I55 HydrophobicContact CB-CD1 3.84Å; T46-I55 HydrophobicContact CG2-CD1 3.92Å; T46-I55 HydrophobicContact CG2-CG2 4.09Å; A51-I55 HydrophobicContact CB-CD1 4.39Å; A51-I55 WeakPolarHBondContact O-CB 3.42Å; A51-I55 WeakPolarHBondContact O-CD1 3.48Å; A51-I55 WeakPolarHBondContact O-CG1 3.02Å; A51-I55 PolarHBondContact O-N 3.28Å; F52-I55 PolarHBondContact O-N 3.01Å; I55-M58 PolarHBondContact O-N 3.27Å; I55-I59 HydrophobicContact CG2-CD1 3.72Å; I55-I59 VanDerWaalsContact O-CG1 3.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; I55-I59 PolarHBondContact O-N 3.46Å; I55-L83 HydrophobicContact CG2-CD1 4Å |
| 56 | M | 93.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | -178.6 | -68.6 | -56 | -62.4 | 0 | 0 | 111.8 | F52 M58 I59 W60 L80 V91 Q94 | F52-M56 HydrophobicContact CD1-CG 4.4Å; F52-M56 HydrophobicContact CD2-CG 4.48Å; F52-M56 HydrophobicContact CE1-CG 4Å; F52-M56 HydrophobicContact CE2-CG 4.08Å; F52-M56 HydrophobicContact CZ-CG 3.82Å; F52-M56 WeakPolarHBondContact O-CG 3.38Å; F52-M56 PolarHBondContact O-N 3.34Å; M56-M58 VanDerWaalsContact C-N 3.32Å; M56-M58 PolarHBondContact O-N 3.45Å; M56-I59 PolarHBondContact O-N 2.98Å; M56-W60 HydrophobicContact CE-CZ2 4.26Å; M56-W60 PolarHBondContact O-N 2.96Å; M56-L80 HydrophobicContact CE-CD1 4.25Å; M56-L80 HydrophobicContact SD-CD1 4.47Å; M56-V91 HydrophobicContact CE-CG1 4.5Å; M56-V91 HydrophobicContact SD-CG1 4Å; M56-V91 HydrophobicContact SD-CG2 4.43Å; M56-Q94 HydrophobicContact CE-CB 4.01Å |
| 57 | N | 93.5 | Very high | 92.3 | Very high | 112 Ų | 112 | 56.1 Ų | 56.1 | 60% | 0.599 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 176.7 | -77.2 | -29 | 0 | 0 | 0 | 112.3 | S53 K61 | S53-N57 VanDerWaalsContact O-CB 3.25Å; S53-N57 WeakPolarHBondContact O-CB 3.3Å; S53-N57 PolarHBondContact O-N 3.32Å; S53-N57 PolarHBondContact O-ND2 3.28Å; S53-N57 VanDerWaalsContact O-ND2 3.1Å; N57-K61 VanDerWaalsContact O-CB 3.28Å; N57-K61 WeakPolarHBondContact O-CB 3.26Å; N57-K61 PolarHBondContact O-N 3.12Å; N57-K61 VanDerWaalsContact O-N 3.12Å |
| 58 | M | 92.8 | Very high | 92 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 6% | 0.064 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 176.1 | -167.7 | 64.5 | 58.4 | 0 | 0 | 111.6 | Y16 E20 V23 R24 E54 I55 M56 K61 R62 | Y16-M58 HydrophobicContact CE1-CE 4.35Å; E20-M58 HydrophobicContact CB-CE 4.11Å; E20-M58 HydrophobicContact CG-CE 4.03Å; E20-M58 WeakPolarHBondContact OE1-CE 3.31Å; V23-M58 HydrophobicContact CB-CB 4.44Å; V23-M58 HydrophobicContact CB-CG 4.17Å; V23-M58 HydrophobicContact CG1-CB 3.85Å; V23-M58 HydrophobicContact CG1-CG 3.62Å; R24-M58 HydrophobicContact CG-CE 4.13Å; R24-M58 HydrophobicContact CG-CG 3.93Å; R24-M58 HydrophobicContact CG-SD 3.61Å; E54-M58 VanDerWaalsContact O-CB 3.3Å; E54-M58 WeakPolarHBondContact O-CB 3.43Å; E54-M58 PolarHBondContact O-N 3.13Å; I55-M58 PolarHBondContact O-N 3.27Å; M56-M58 VanDerWaalsContact C-N 3.32Å; M56-M58 PolarHBondContact O-N 3.45Å; M58-K61 PolarHBondContact O-N 2.88Å; M58-R62 VanDerWaalsContact O-CG 3.28Å; M58-R62 WeakPolarHBondContact O-CG 3.44Å; M58-R62 PolarHBondContact O-N 3.29Å |
| 59 | I | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -50.8 | 176.2 | -71.1 | 169.4 | 0 | 0 | 0 | 111.2 | V23 I55 M56 K61 R62 L63 L79 L80 L83 | V23-I59 HydrophobicContact CG1-CG1 3.9Å; I55-I59 HydrophobicContact CG2-CD1 3.72Å; I55-I59 VanDerWaalsContact O-CG1 3.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; I55-I59 PolarHBondContact O-N 3.46Å; M56-I59 PolarHBondContact O-N 2.98Å; I59-K61 VanDerWaalsContact C-N 3.26Å; I59-K61 PolarHBondContact O-N 3.19Å; I59-R62 CarbonylContact O-C 3.55Å; I59-R62 WeakPolarHBondContact O-CA 3.34Å; I59-R62 WeakPolarHBondContact O-CB 3.47Å; I59-R62 PolarHBondContact O-N 3.42Å; I59-L63 HydrophobicContact CG2-CD1 3.8Å; I59-L63 HydrophobicContact CG2-CG 4.17Å; I59-L63 WeakPolarHBondContact O-CG 3.26Å; I59-L63 PolarHBondContact O-N 3.34Å; I59-L79 HydrophobicContact CD1-CD2 3.88Å; I59-L79 HydrophobicContact CD1-CG 4.19Å; I59-L79 HydrophobicContact CG1-CD2 4.06Å; I59-L80 HydrophobicContact CG2-CB 4.36Å; I59-L80 HydrophobicContact CG2-CD1 4.3Å; I59-L80 HydrophobicContact CG2-CD2 4.36Å; I59-L83 HydrophobicContact CD1-CD1 3.46Å; I59-L83 VanDerWaalsContact CD1-CD1 3.46Å |
| 60 | W | 94.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.9 | -40 | 178.2 | -70.7 | 124.7 | 0 | 0 | 0 | 112.1 | M56 R62 L63 N64 N98 A101 I102 | M56-W60 HydrophobicContact CE-CZ2 4.26Å; M56-W60 PolarHBondContact O-N 2.96Å; W60-R62 PolarHBondContact O-N 2.74Å; W60-L63 HydrophobicContact CD2-CD1 4.38Å; W60-L63 HydrophobicContact CE3-CD1 3.57Å; W60-L63 HydrophobicContact CZ3-CD1 3.73Å; W60-L63 PolarHBondContact O-N 3.07Å; W60-N64 PolarHBondContact O-N 2.74Å; W60-N64 VanDerWaalsContact O-N 3.1Å; W60-N98 HydrophobicContact CH2-CB 3.73Å; W60-N98 HydrophobicContact CZ2-CB 3.67Å; W60-A101 HydrophobicContact CE3-CB 4.27Å; W60-A101 HydrophobicContact CZ3-CB 3.79Å; W60-I102 HydrophobicContact CH2-CD1 3.97Å; W60-I102 HydrophobicContact CH2-CG1 3.76Å; W60-I102 HydrophobicContact CZ3-CD1 4.49Å; W60-I102 HydrophobicContact CZ3-CG1 3.82Å |
| 61 | K | 93.3 | Very high | 91.9 | Very high | 149 Ų | 149 | 51.2 Ų | 51.2 | 65% | 0.648 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.1 | -26.2 | 174 | -174 | 168.5 | -174.1 | 163 | 0 | 113.9 | N57 M58 I59 | N57-K61 VanDerWaalsContact O-CB 3.28Å; N57-K61 WeakPolarHBondContact O-CB 3.26Å; N57-K61 PolarHBondContact O-N 3.12Å; N57-K61 VanDerWaalsContact O-N 3.12Å; M58-K61 PolarHBondContact O-N 2.88Å; I59-K61 VanDerWaalsContact C-N 3.26Å; I59-K61 PolarHBondContact O-N 3.19Å |
| 62 | R | 93.7 | Very high | 92.1 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -92.1 | -24.2 | 175.7 | -65.5 | -56 | -141.9 | 156.4 | 17.5 | 114.1 | T27 M58 I59 W60 N64 D65 H72 A76 | T27-R62 HydrophobicContact CG2-CB 4.44Å; T27-R62 HydrophobicContact CG2-CG 4.28Å; T27-R62 PolarHBondContact O-NH2 3.36Å; T27-R62 VanDerWaalsContact O-NH2 3.09Å; T27-R62 PolarHBondContact OG1-NE 3.1Å; M58-R62 VanDerWaalsContact O-CG 3.28Å; M58-R62 WeakPolarHBondContact O-CG 3.44Å; M58-R62 PolarHBondContact O-N 3.29Å; I59-R62 CarbonylContact O-C 3.55Å; I59-R62 WeakPolarHBondContact O-CA 3.34Å; I59-R62 WeakPolarHBondContact O-CB 3.47Å; I59-R62 PolarHBondContact O-N 3.42Å; W60-R62 PolarHBondContact O-N 2.74Å; R62-N64 VanDerWaalsContact C-N 3.3Å; R62-D65 IonicContact NH1-OD2 2.67Å; R62-D65 PolarHBondContact NH1-OD2 3.49Å; R62-D65 WeakPolarHBondContact O-CB 3.33Å; R62-D65 PolarHBondContact O-N 3.21Å; R62-H72 PolarHBondContact NH1-CD2 2.93Å; R62-H72 PolarHBondContact NH1-CE1 3.24Å; R62-H72 VanDerWaalsContact NH1-CG 3.28Å; R62-H72 PolarHBondContact NH1-ND1 3.41Å; R62-H72 PolarHBondContact NH1-NE2 3.44Å; R62-H72 PolarHBondContact NH2-NE2 3.44Å; R62-A76 HydrophobicContact CB-CB 3.74Å |
| 63 | L | 93.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.2 | -31.7 | 170.1 | -69.9 | 172.2 | 0 | 0 | 0 | 111.2 | I59 W60 D65 A76 L77 L80 L105 | I59-L63 HydrophobicContact CG2-CD1 3.8Å; I59-L63 HydrophobicContact CG2-CG 4.17Å; I59-L63 WeakPolarHBondContact O-CG 3.26Å; I59-L63 PolarHBondContact O-N 3.34Å; W60-L63 HydrophobicContact CD2-CD1 4.38Å; W60-L63 HydrophobicContact CE3-CD1 3.57Å; W60-L63 HydrophobicContact CZ3-CD1 3.73Å; W60-L63 PolarHBondContact O-N 3.07Å; L63-D65 VanDerWaalsContact C-N 3.29Å; L63-D65 PolarHBondContact O-N 2.96Å; L63-A76 HydrophobicContact CD2-CB 3.74Å; L63-A76 HydrophobicContact CG-CB 3.97Å; L63-L77 HydrophobicContact CD2-CB 4.4Å; L63-L77 HydrophobicContact CD2-CD2 3.67Å; L63-L77 HydrophobicContact CD2-CG 3.61Å; L63-L80 HydrophobicContact CD1-CD2 3.89Å; L63-L105 HydrophobicContact CB-CD1 4.21Å; L63-L105 HydrophobicContact CD2-CD1 3.8Å |
| 64 | N | 92.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 52.5 Ų | 52.5 | 64% | 0.642 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 11.7 | 175.8 | -154.3 | 37.3 | 0 | 0 | 0 | 114.3 | W60 R62 H66 | W60-N64 PolarHBondContact O-N 2.74Å; W60-N64 VanDerWaalsContact O-N 3.1Å; R62-N64 VanDerWaalsContact C-N 3.3Å; N64-H66 PolarHBondContact O-CE1 2.89Å; N64-H66 PolarHBondContact O-ND1 2.84Å; N64-H66 PolarHBondContact OD1-CE1 3.19Å |
| 65 | D | 90.9 | Very high | 92.2 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | trans | -73.1 | 150 | 166.7 | -107.2 | -43.4 | 0 | 0 | 0 | 109.8 | R62 L63 N69 H72 V73 | R62-D65 IonicContact NH1-OD2 2.67Å; R62-D65 PolarHBondContact NH1-OD2 3.49Å; R62-D65 WeakPolarHBondContact O-CB 3.33Å; R62-D65 PolarHBondContact O-N 3.21Å; L63-D65 VanDerWaalsContact C-N 3.29Å; L63-D65 PolarHBondContact O-N 2.96Å; D65-N69 HydrophobicContact CB-CB 3.85Å; D65-N69 PolarHBondContact OD1-ND2 3.04Å; D65-H72 HydrophobicContact CB-CB 4.16Å; D65-H72 WeakPolarHBondContact OD2-CB 3.49Å; D65-H72 IonicContact OD2-CE1 2.72Å; D65-H72 IonicContact OD2-CG 2.69Å; D65-H72 IonicContact OD2-ND1 3.12Å; D65-H72 PolarHBondContact OD2-ND1 3.01Å; D65-V73 HydrophobicContact CB-CG2 3.92Å; D65-V73 WeakPolarHBondContact O-CG2 3.41Å | ||
| 66 | H | 87.2 | Confident | 92.3 | Very high | 120 Ų | 120 | 50.3 Ų | 50.3 | 56% | 0.556 | 24% | 0.237 | S | C | * | . | trans | -134.2 | 156.6 | -171.8 | -75.5 | 79.3 | 0 | 0 | 0 | 113.9 | N64 K68 N69 | N64-H66 PolarHBondContact O-CE1 2.89Å; N64-H66 PolarHBondContact O-ND1 2.84Å; N64-H66 PolarHBondContact OD1-CE1 3.19Å; H66-K68 PolarHBondContact O-N 3.16Å; H66-N69 PolarHBondContact O-N 3.46Å | ||
| 67 | G | 86.4 | Confident | 92.4 | Very high | 26 Ų | 26 | 50.2 Ų | 50.2 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | 56.7 | -118.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N69 W70 | G67-N69 PolarHBondContact O-N 3.16Å; G67-W70 WeakPolarHBondContact O-CB 3.33Å; G67-W70 PolarHBondContact O-N 2.93Å |
| 68 | K | 85.9 | Confident | 92.4 | Very high | 160 Ų | 160 | 45.8 Ų | 45.8 | 70% | 0.696 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -55.2 | -17.6 | -179.4 | 71.8 | -173.9 | -179.5 | -171.9 | 0 | 114.9 | H66 W70 | H66-K68 PolarHBondContact O-N 3.16Å; K68-W70 VanDerWaalsContact C-N 3.32Å |
| 69 | N | 89.6 | Confident | 92.5 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -89.3 | 12.9 | 176.4 | -71.6 | 1.9 | 0 | 0 | 0 | 113.3 | D65 H66 G67 R71 H72 | D65-N69 HydrophobicContact CB-CB 3.85Å; D65-N69 PolarHBondContact OD1-ND2 3.04Å; H66-N69 PolarHBondContact O-N 3.46Å; G67-N69 PolarHBondContact O-N 3.16Å; N69-R71 PolarHBondContact O-N 2.77Å; N69-H72 WeakPolarHBondContact O-CB 3.32Å; N69-H72 PolarHBondContact O-N 3.29Å |
| 70 | W | 91.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -48.3 | -31.5 | -178.2 | 69.7 | -93.9 | 0 | 0 | 0 | 114.8 | G67 K68 H72 V73 Y74 F108 Y110 Q118 | G67-W70 WeakPolarHBondContact O-CB 3.33Å; G67-W70 PolarHBondContact O-N 2.93Å; K68-W70 VanDerWaalsContact C-N 3.32Å; W70-H72 VanDerWaalsContact C-N 3.32Å; W70-H72 PolarHBondContact O-N 2.9Å; W70-V73 PolarHBondContact O-N 2.81Å; W70-Y74 WeakPolarHBondContact O-CB 3.3Å; W70-Y74 PolarHBondContact O-N 3.12Å; W70-F108 HydrophobicContact CB-CE1 3.74Å; W70-F108 HydrophobicContact CB-CZ 3.82Å; W70-Y110 HydrophobicContact CB-CD1 4.32Å; W70-Y110 AromaticContact CD1-CD1 3.22Å; W70-Y110 AromaticContact CD1-CE1 3.3Å; W70-Y110 AromaticContact CG-CD1 3.91Å; W70-Y110 HydrophobicContact CG-CD1 3.91Å; W70-Y110 HydrophobicContact CG-CE1 4.36Å; W70-Y110 AromaticContact NE1-CD1 3.78Å; W70-Y110 AromaticContact NE1-CE1 3.55Å; W70-Q118 HydrophobicContact CD2-CB 3.74Å; W70-Q118 HydrophobicContact CD2-CG 4.43Å; W70-Q118 HydrophobicContact CE3-CB 4.1Å; W70-Q118 HydrophobicContact CG-CB 4.23Å; W70-Q118 HydrophobicContact CH2-CB 4.08Å; W70-Q118 HydrophobicContact CH2-CG 4.3Å; W70-Q118 HydrophobicContact CZ2-CB 3.71Å; W70-Q118 HydrophobicContact CZ2-CG 3.63Å; W70-Q118 HydrophobicContact CZ3-CB 4.27Å |
| 71 | R | 92.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63 | -36.3 | 175.8 | -63.2 | -175.1 | -180 | -85.9 | -0.1 | 112.5 | N29 P31 N69 K75 | N29-R71 WeakPolarHBondContact OD1-CB 3.44Å; P31-R71 PolarHBondContact O-NH1 2.9Å; N69-R71 PolarHBondContact O-N 2.77Å; R71-K75 VanDerWaalsContact O-CB 3.25Å; R71-K75 WeakPolarHBondContact O-CB 3.38Å; R71-K75 VanDerWaalsContact O-CG 3.28Å; R71-K75 WeakPolarHBondContact O-CG 3.49Å; R71-K75 PolarHBondContact O-N 2.95Å |
| 72 | H | 93.4 | Very high | 92.7 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 173.3 | -58.5 | 150.8 | 0 | 0 | 0 | 110.6 | T27 R62 D65 N69 W70 K75 A76 | T27-H72 PolarHBondContact O-CD2 3.24Å; R62-H72 PolarHBondContact NH1-CD2 2.93Å; R62-H72 PolarHBondContact NH1-CE1 3.24Å; R62-H72 VanDerWaalsContact NH1-CG 3.28Å; R62-H72 PolarHBondContact NH1-ND1 3.41Å; R62-H72 PolarHBondContact NH1-NE2 3.44Å; R62-H72 PolarHBondContact NH2-NE2 3.44Å; D65-H72 HydrophobicContact CB-CB 4.16Å; D65-H72 WeakPolarHBondContact OD2-CB 3.49Å; D65-H72 IonicContact OD2-CE1 2.72Å; D65-H72 IonicContact OD2-CG 2.69Å; D65-H72 IonicContact OD2-ND1 3.12Å; D65-H72 PolarHBondContact OD2-ND1 3.01Å; N69-H72 WeakPolarHBondContact O-CB 3.32Å; N69-H72 PolarHBondContact O-N 3.29Å; W70-H72 VanDerWaalsContact C-N 3.32Å; W70-H72 PolarHBondContact O-N 2.9Å; H72-K75 PolarHBondContact O-N 3.09Å; H72-A76 WeakPolarHBondContact O-CB 3.35Å; H72-A76 PolarHBondContact O-N 3.4Å |
| 73 | V | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 179.5 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | D65 W70 K75 A76 L77 L105 F108 V122 | D65-V73 HydrophobicContact CB-CG2 3.92Å; D65-V73 WeakPolarHBondContact O-CG2 3.41Å; W70-V73 PolarHBondContact O-N 2.81Å; V73-K75 PolarHBondContact O-N 3.18Å; V73-A76 PolarHBondContact O-N 3.05Å; V73-L77 PolarHBondContact O-N 3.17Å; V73-L105 HydrophobicContact CG1-CD1 3.92Å; V73-L105 HydrophobicContact CG1-CD2 3.95Å; V73-F108 HydrophobicContact CG2-CE2 4.04Å; V73-F108 HydrophobicContact CG2-CZ 4.34Å; V73-V122 HydrophobicContact CB-CG1 4.49Å; V73-V122 HydrophobicContact CG1-CG1 3.71Å |
| 74 | Y | 94.3 | Very high | 92.8 | Very high | 74 Ų | 74 | 37 Ų | 37 | 29% | 0.29 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 179.2 | -177.9 | -106.1 | 0 | 0 | 0 | 112.6 | W70 T78 N121 K125 | W70-Y74 WeakPolarHBondContact O-CB 3.3Å; W70-Y74 PolarHBondContact O-N 3.12Å; Y74-T78 WeakPolarHBondContact O-CB 3.33Å; Y74-T78 PolarHBondContact O-N 2.95Å; Y74-T78 PolarHBondContact O-OG1 3.05Å; Y74-N121 HydrophobicContact CD2-CB 4Å; Y74-N121 HydrophobicContact CE2-CB 3.91Å; Y74-N121 WeakPolarHBondContact CE2-O 3.43Å; Y74-K125 HydrophobicContact CD2-CD 4.41Å; Y74-K125 HydrophobicContact CE2-CB 4.22Å; Y74-K125 HydrophobicContact CE2-CD 3.76Å |
| 75 | K | 94.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -76.6 | -28.5 | 178.4 | -68.4 | 172 | 61.3 | 172.1 | 0 | 112.2 | A26 S28 D30 W32 R71 H72 V73 T78 L79 | A26-K75 WeakPolarHBondContact O-CE 3.33Å; S28-K75 WeakPolarHBondContact O-CD 3.34Å; S28-K75 VanDerWaalsContact O-CE 3.22Å; S28-K75 WeakPolarHBondContact O-CE 3.31Å; S28-K75 PolarHBondContact O-NZ 3.07Å; S28-K75 PolarHBondContact OG-NZ 3.19Å; D30-K75 PolarHBondContact O-NZ 3.47Å; W32-K75 VanDerWaalsContact O-CE 3.3Å; W32-K75 WeakPolarHBondContact O-CE 3.5Å; W32-K75 PolarHBondContact O-NZ 3.19Å; R71-K75 VanDerWaalsContact O-CB 3.25Å; R71-K75 WeakPolarHBondContact O-CB 3.38Å; R71-K75 VanDerWaalsContact O-CG 3.28Å; R71-K75 WeakPolarHBondContact O-CG 3.49Å; R71-K75 PolarHBondContact O-N 2.95Å; H72-K75 PolarHBondContact O-N 3.09Å; V73-K75 PolarHBondContact O-N 3.18Å; K75-T78 PolarHBondContact O-N 2.88Å; K75-L79 WeakPolarHBondContact O-CB 3.1Å; K75-L79 PolarHBondContact O-N 3.12Å |
| 76 | A | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -44.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T27 R62 L63 H72 V73 T78 L79 L80 | T27-A76 HydrophobicContact CG2-CB 3.99Å; R62-A76 HydrophobicContact CB-CB 3.74Å; L63-A76 HydrophobicContact CD2-CB 3.74Å; L63-A76 HydrophobicContact CG-CB 3.97Å; H72-A76 WeakPolarHBondContact O-CB 3.35Å; H72-A76 PolarHBondContact O-N 3.4Å; V73-A76 PolarHBondContact O-N 3.05Å; A76-T78 VanDerWaalsContact C-N 3.3Å; A76-T78 PolarHBondContact O-N 3.07Å; A76-L79 PolarHBondContact O-N 2.93Å; A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.43Å; A76-L80 PolarHBondContact O-N 2.76Å |
| 77 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 170.3 | -77 | 175.5 | 0 | 0 | 0 | 111.8 | L63 V73 L80 D81 I102 L105 V122 K125 L129 | L63-L77 HydrophobicContact CD2-CB 4.4Å; L63-L77 HydrophobicContact CD2-CD2 3.67Å; L63-L77 HydrophobicContact CD2-CG 3.61Å; V73-L77 PolarHBondContact O-N 3.17Å; L77-L80 PolarHBondContact O-N 2.94Å; L77-D81 WeakPolarHBondContact O-CB 3.17Å; L77-D81 PolarHBondContact O-N 3.1Å; L77-I102 HydrophobicContact CD2-CG2 4.18Å; L77-L105 HydrophobicContact CD1-CD1 4.21Å; L77-L105 HydrophobicContact CD2-CD1 4.01Å; L77-L105 HydrophobicContact CG-CD1 4.21Å; L77-V122 HydrophobicContact CD1-CG1 3.91Å; L77-K125 HydrophobicContact CB-CG 4.38Å; L77-L129 HydrophobicContact CD2-CD2 3.97Å |
| 78 | T | 95.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 12% | 0.123 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 177.3 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | P34 M39 Y74 K75 A76 Y82 K125 | P34-T78 HydrophobicContact CG-CG2 3.88Å; M39-T78 HydrophobicContact SD-CG2 4.36Å; Y74-T78 WeakPolarHBondContact O-CB 3.33Å; Y74-T78 PolarHBondContact O-N 2.95Å; Y74-T78 PolarHBondContact O-OG1 3.05Å; K75-T78 PolarHBondContact O-N 2.88Å; A76-T78 VanDerWaalsContact C-N 3.3Å; A76-T78 PolarHBondContact O-N 3.07Å; T78-Y82 PolarHBondContact O-N 2.96Å; T78-K125 WeakPolarHBondContact OG1-CE 3.37Å; T78-K125 PolarHBondContact OG1-NZ 3.11Å |
| 79 | L | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 173.5 | -179.5 | 62.5 | 0 | 0 | 0 | 110.6 | V23 A26 T27 M39 V42 I59 K75 A76 D81 Y82 L83 | V23-L79 HydrophobicContact CG1-CD2 4.06Å; V23-L79 HydrophobicContact CG2-CD2 4.32Å; A26-L79 HydrophobicContact CB-CD1 4.43Å; A26-L79 HydrophobicContact CB-CD2 4.07Å; T27-L79 HydrophobicContact CG2-CD2 4.25Å; M39-L79 HydrophobicContact CB-CD1 4.41Å; M39-L79 HydrophobicContact CG-CD1 4.03Å; V42-L79 HydrophobicContact CB-CD1 4.34Å; V42-L79 HydrophobicContact CG1-CD1 4.23Å; V42-L79 HydrophobicContact CG1-CD2 4.47Å; I59-L79 HydrophobicContact CD1-CD2 3.88Å; I59-L79 HydrophobicContact CD1-CG 4.19Å; I59-L79 HydrophobicContact CG1-CD2 4.06Å; K75-L79 WeakPolarHBondContact O-CB 3.1Å; K75-L79 PolarHBondContact O-N 3.12Å; A76-L79 PolarHBondContact O-N 2.93Å; L79-D81 PolarHBondContact O-N 3.12Å; L79-Y82 PolarHBondContact O-N 2.92Å; L79-L83 HydrophobicContact CD1-CD1 4.22Å; L79-L83 HydrophobicContact CD1-CD2 4.43Å; L79-L83 HydrophobicContact CD1-CG 4.12Å; L79-L83 HydrophobicContact CD2-CD1 4.5Å; L79-L83 HydrophobicContact CG-CD1 3.9Å; L79-L83 HydrophobicContact CG-CG 4.2Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.1Å; L79-L83 PolarHBondContact O-N 2.83Å |
| 80 | L | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | -177.2 | -168.7 | 57.7 | 0 | 0 | 0 | 112.6 | M56 I59 L63 A76 L77 Y82 L83 I84 V91 I102 L129 | M56-L80 HydrophobicContact CE-CD1 4.25Å; M56-L80 HydrophobicContact SD-CD1 4.47Å; I59-L80 HydrophobicContact CG2-CB 4.36Å; I59-L80 HydrophobicContact CG2-CD1 4.3Å; I59-L80 HydrophobicContact CG2-CD2 4.36Å; L63-L80 HydrophobicContact CD1-CD2 3.89Å; A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.43Å; A76-L80 PolarHBondContact O-N 2.76Å; L77-L80 PolarHBondContact O-N 2.94Å; L80-Y82 VanDerWaalsContact C-N 3.34Å; L80-Y82 PolarHBondContact O-N 3.46Å; L80-L83 PolarHBondContact O-N 3.14Å; L80-I84 HydrophobicContact CD1-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 3.92Å; L80-I84 WeakPolarHBondContact O-CB 3.23Å; L80-I84 WeakPolarHBondContact O-CD1 3.42Å; L80-I84 VanDerWaalsContact O-CG1 3.31Å; L80-I84 WeakPolarHBondContact O-CG1 3.29Å; L80-I84 PolarHBondContact O-N 3.07Å; L80-V91 HydrophobicContact CD1-CG1 3.88Å; L80-I102 HydrophobicContact CD2-CD1 4.02Å; L80-L129 HydrophobicContact CD2-CD2 4.29Å; L80-L129 HydrophobicContact CG-CD2 4.4Å |
| 81 | D | 94.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 17% | 0.166 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55 | -47.3 | 172.2 | 179.6 | 66.5 | 0 | 0 | 0 | 111.9 | L77 L79 I84 K85 L129 | L77-D81 WeakPolarHBondContact O-CB 3.17Å; L77-D81 PolarHBondContact O-N 3.1Å; L79-D81 PolarHBondContact O-N 3.12Å; D81-I84 PolarHBondContact O-N 2.86Å; D81-K85 WeakPolarHBondContact O-CD 3.49Å; D81-K85 WeakPolarHBondContact O-CG 3.31Å; D81-K85 PolarHBondContact O-N 3.24Å; D81-K85 WeakPolarHBondContact OD1-CE 3.31Å; D81-K85 IonicContact OD1-NZ 3.98Å; D81-K85 PolarHBondContact OD1-NZ 3.23Å; D81-K85 IonicContact OD2-NZ 3.32Å; D81-K85 PolarHBondContact OD2-NZ 2.85Å; D81-L129 HydrophobicContact CB-CD1 4.03Å |
| 82 | Y | 94.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 23.1 Ų | 23.1 | 16% | 0.157 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 177.2 | -175.4 | -88.3 | 0 | 0 | 0 | 112.6 | M39 S40 A43 T78 L79 L80 K85 T86 | M39-Y82 VanDerWaalsContact C-CE1 3.44Å; M39-Y82 HydrophobicContact CB-CD1 3.65Å; M39-Y82 HydrophobicContact CB-CD2 4.47Å; M39-Y82 HydrophobicContact CB-CE1 3.79Å; M39-Y82 HydrophobicContact CB-CG 4.02Å; M39-Y82 HydrophobicContact CE-CD2 4.4Å; M39-Y82 WeakPolarHBondContact O-CE1 3.16Å; M39-Y82 HydrophobicContact SD-CD2 4.5Å; M39-Y82 HydrophobicContact SD-CG 4.18Å; S40-Y82 PolarHBondContact OG-OH 3.45Å; A43-Y82 HydrophobicContact CB-CD1 4.35Å; A43-Y82 HydrophobicContact CB-CE1 3.88Å; T78-Y82 PolarHBondContact O-N 2.96Å; L79-Y82 PolarHBondContact O-N 2.92Å; L80-Y82 VanDerWaalsContact C-N 3.34Å; L80-Y82 PolarHBondContact O-N 3.46Å; Y82-K85 PolarHBondContact O-N 3.37Å; Y82-T86 VanDerWaalsContact CD1-OG1 3.31Å; Y82-T86 WeakPolarHBondContact CD1-OG1 3.18Å; Y82-T86 HydrophobicContact CE1-CG2 4.32Å; Y82-T86 WeakPolarHBondContact CE1-OG1 3.44Å; Y82-T86 HydrophobicContact CE2-CG2 4.15Å; Y82-T86 PolarHBondContact O-N 3.46Å; Y82-T86 PolarHBondContact O-OG1 3.42Å |
| 83 | L | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 179.1 | -68 | 179.1 | 0 | 0 | 0 | 112.8 | V42 A43 T46 I55 I59 L79 L80 K85 G87 V91 | V42-L83 HydrophobicContact CB-CD2 4.47Å; V42-L83 HydrophobicContact CG1-CD1 4.18Å; V42-L83 HydrophobicContact CG1-CD2 4Å; A43-L83 HydrophobicContact CB-CD2 3.71Å; T46-L83 HydrophobicContact CG2-CD1 4.29Å; T46-L83 HydrophobicContact CG2-CD2 3.95Å; I55-L83 HydrophobicContact CG2-CD1 4Å; I59-L83 HydrophobicContact CD1-CD1 3.46Å; I59-L83 VanDerWaalsContact CD1-CD1 3.46Å; L79-L83 HydrophobicContact CD1-CD1 4.22Å; L79-L83 HydrophobicContact CD1-CD2 4.43Å; L79-L83 HydrophobicContact CD1-CG 4.12Å; L79-L83 HydrophobicContact CD2-CD1 4.5Å; L79-L83 HydrophobicContact CG-CD1 3.9Å; L79-L83 HydrophobicContact CG-CG 4.2Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.1Å; L79-L83 PolarHBondContact O-N 2.83Å; L80-L83 PolarHBondContact O-N 3.14Å; L83-K85 VanDerWaalsContact C-N 3.28Å; L83-K85 PolarHBondContact O-N 2.9Å; L83-G87 VanDerWaalsContact O-CA 3.26Å; L83-G87 WeakPolarHBondContact O-CA 3.07Å; L83-G87 PolarHBondContact O-N 2.91Å; L83-V91 HydrophobicContact CB-CG1 3.96Å; L83-V91 HydrophobicContact CB-CG2 4.45Å |
| 84 | I | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 172.8 | -74.7 | 160.4 | 0 | 0 | 0 | 110.3 | L80 D81 V91 A92 C95 L129 L133 L139 R143 | L80-I84 HydrophobicContact CD1-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 3.92Å; L80-I84 WeakPolarHBondContact O-CB 3.23Å; L80-I84 WeakPolarHBondContact O-CD1 3.42Å; L80-I84 VanDerWaalsContact O-CG1 3.31Å; L80-I84 WeakPolarHBondContact O-CG1 3.29Å; L80-I84 PolarHBondContact O-N 3.07Å; D81-I84 PolarHBondContact O-N 2.86Å; I84-V91 HydrophobicContact CG1-CG1 3.9Å; I84-A92 HydrophobicContact CG2-CB 4.46Å; I84-C95 HydrophobicContact CD1-CB 4.05Å; I84-L129 HydrophobicContact CD1-CD1 3.73Å; I84-L129 HydrophobicContact CD1-CD2 4.46Å; I84-L129 HydrophobicContact CD1-CG 4.39Å; I84-L133 HydrophobicContact CD1-CD1 4.31Å; I84-L133 HydrophobicContact CD1-CD2 3.98Å; I84-L133 HydrophobicContact CD1-CG 4.39Å; I84-L139 HydrophobicContact CG2-CD1 3.34Å; I84-L139 HydrophobicContact CG2-CD2 4.41Å; I84-R143 PolarHBondContact O-NH1 3.2Å |
| 85 | K | 94.1 | Very high | 94 | Very high | 41 Ų | 41 | 25.7 Ų | 25.7 | 18% | 0.178 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -77.8 | -26.1 | -178.6 | -70.3 | 166.3 | -180 | 169.9 | 0 | 114.9 | D81 Y82 L83 L132 E142 R143 A146 | D81-K85 WeakPolarHBondContact O-CD 3.49Å; D81-K85 WeakPolarHBondContact O-CG 3.31Å; D81-K85 PolarHBondContact O-N 3.24Å; D81-K85 WeakPolarHBondContact OD1-CE 3.31Å; D81-K85 IonicContact OD1-NZ 3.98Å; D81-K85 PolarHBondContact OD1-NZ 3.23Å; D81-K85 IonicContact OD2-NZ 3.32Å; D81-K85 PolarHBondContact OD2-NZ 2.85Å; Y82-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact C-N 3.28Å; L83-K85 PolarHBondContact O-N 2.9Å; K85-L132 HydrophobicContact CG-CD2 4.47Å; K85-E142 WeakPolarHBondContact CE-OE2 3.46Å; K85-E142 IonicContact NZ-OE2 2.68Å; K85-E142 PolarHBondContact NZ-OE2 3.19Å; K85-R143 WeakPolarHBondContact O-CA 3.28Å; K85-A146 HydrophobicContact CB-CB 3.97Å |
| 86 | T | 93.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -136.6 | -20.6 | -170.8 | 65.2 | 0 | 0 | 0 | 0 | 116.3 | A43 Y47 Y82 A146 | A43-T86 WeakPolarHBondContact CB-OG1 3.46Å; Y47-T86 PolarHBondContact OH-O 3.04Å; Y82-T86 VanDerWaalsContact CD1-OG1 3.31Å; Y82-T86 WeakPolarHBondContact CD1-OG1 3.18Å; Y82-T86 HydrophobicContact CE1-CG2 4.32Å; Y82-T86 WeakPolarHBondContact CE1-OG1 3.44Å; Y82-T86 HydrophobicContact CE2-CG2 4.15Å; Y82-T86 PolarHBondContact O-N 3.46Å; Y82-T86 PolarHBondContact O-OG1 3.42Å; T86-A146 HydrophobicContact CG2-CB 3.91Å |
| 87 | G | 92.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -80.5 | -164.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T46 Y47 L83 R143 | T46-G87 WeakPolarHBondContact OG1-CA 3.32Å; Y47-G87 PolarHBondContact OH-O 3.14Å; Y47-G87 VanDerWaalsContact OH-O 3.07Å; L83-G87 VanDerWaalsContact O-CA 3.26Å; L83-G87 WeakPolarHBondContact O-CA 3.07Å; L83-G87 PolarHBondContact O-N 2.91Å; G87-R143 VanDerWaalsContact O-CZ 3.23Å; G87-R143 PolarHBondContact O-NH1 3.33Å; G87-R143 PolarHBondContact O-NH2 3.09Å |
| 88 | S | 94.2 | Very high | 93.6 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | trans | -63.5 | 144.6 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | T46 R90 V91 | T46-S88 WeakPolarHBondContact O-CB 3.39Å; T46-S88 PolarHBondContact OG1-N 2.86Å; S88-R90 PolarHBondContact O-N 3.46Å; S88-R90 VanDerWaalsContact O-N 3.1Å; S88-V91 WeakPolarHBondContact O-CB 2.99Å; S88-V91 WeakPolarHBondContact O-CG2 3.31Å; S88-V91 PolarHBondContact O-N 2.67Å | ||
| 89 | E | 91.5 | Very high | 93.5 | Very high | 130 Ų | 130 | 38.1 Ų | 38.1 | 61% | 0.607 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -59.2 | -24.3 | 176.1 | -59.4 | -165.4 | 150.9 | 0 | 0 | 112.9 | V91 A92 L93 R143 | E89-V91 PolarHBondContact O-N 3.24Å; E89-A92 WeakPolarHBondContact O-CB 3.38Å; E89-A92 PolarHBondContact O-N 2.92Å; E89-L93 PolarHBondContact O-N 3.48Å; E89-R143 VanDerWaalsContact CG-NH2 3.3Å; E89-R143 IonicContact OE1-NE 2.67Å; E89-R143 PolarHBondContact OE1-NE 3.39Å; E89-R143 IonicContact OE1-NH2 2.77Å |
| 90 | R | 92.4 | Very high | 93.4 | Very high | 93 Ų | 93 | 45.4 Ų | 45.4 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.7 | -28.5 | 172.4 | -61.6 | 175.7 | 67.8 | -134.7 | -0.3 | 112.6 | F52 S88 Q94 | F52-R90 HydrophobicContact CD2-CB 4.23Å; F52-R90 HydrophobicContact CE1-CB 4.41Å; F52-R90 HydrophobicContact CE2-CB 3.48Å; F52-R90 VanDerWaalsContact CE2-CB 3.48Å; F52-R90 VanDerWaalsContact CG-NH1 3.29Å; F52-R90 HydrophobicContact CZ-CB 3.6Å; F52-R90 WeakPolarHBondContact CZ-O 3.33Å; S88-R90 PolarHBondContact O-N 3.46Å; S88-R90 VanDerWaalsContact O-N 3.1Å; R90-Q94 PolarHBondContact O-N 2.9Å; R90-Q94 VanDerWaalsContact O-N 3.14Å |
| 91 | V | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -47.8 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 110 | T46 F52 M56 L80 L83 I84 S88 E89 L93 Q94 C95 | T46-V91 HydrophobicContact CG2-CG2 4Å; F52-V91 HydrophobicContact CD2-CG2 4.3Å; F52-V91 HydrophobicContact CE2-CB 4.45Å; F52-V91 HydrophobicContact CE2-CG2 3.71Å; M56-V91 HydrophobicContact CE-CG1 4.5Å; M56-V91 HydrophobicContact SD-CG1 4Å; M56-V91 HydrophobicContact SD-CG2 4.43Å; L80-V91 HydrophobicContact CD1-CG1 3.88Å; L83-V91 HydrophobicContact CB-CG1 3.96Å; L83-V91 HydrophobicContact CB-CG2 4.45Å; I84-V91 HydrophobicContact CG1-CG1 3.9Å; S88-V91 WeakPolarHBondContact O-CB 2.99Å; S88-V91 WeakPolarHBondContact O-CG2 3.31Å; S88-V91 PolarHBondContact O-N 2.67Å; E89-V91 PolarHBondContact O-N 3.24Å; V91-L93 PolarHBondContact O-N 3.41Å; V91-Q94 PolarHBondContact O-N 3.46Å; V91-C95 PolarHBondContact O-N 3.48Å; V91-C95 PolarHBondContact O-SG 3.09Å |
| 92 | A | 93.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I84 E89 C95 K96 L139 | I84-A92 HydrophobicContact CG2-CB 4.46Å; E89-A92 WeakPolarHBondContact O-CB 3.38Å; E89-A92 PolarHBondContact O-N 2.92Å; A92-C95 PolarHBondContact O-N 2.9Å; A92-K96 WeakPolarHBondContact O-CG 3.28Å; A92-K96 PolarHBondContact O-N 3.41Å; A92-L139 HydrophobicContact CB-CD2 4.16Å |
| 93 | L | 93 | Very high | 93.1 | Very high | 93 Ų | 93 | 46 Ų | 46 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58 | -52.2 | 175.9 | -64.7 | 175.5 | 0 | 0 | 0 | 111.8 | E89 V91 C95 K96 E97 | E89-L93 PolarHBondContact O-N 3.48Å; V91-L93 PolarHBondContact O-N 3.41Å; L93-C95 PolarHBondContact O-N 3.39Å; L93-K96 PolarHBondContact O-N 3.1Å; L93-E97 WeakPolarHBondContact O-CG 3.26Å; L93-E97 PolarHBondContact O-N 2.92Å |
| 94 | Q | 93.1 | Very high | 93 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.2 | -30.6 | 176.3 | -86.7 | -95 | -82.1 | 0 | 0 | 113.9 | F52 M56 R90 V91 E97 N98 | F52-Q94 HydrophobicContact CE1-CG 4.33Å; F52-Q94 HydrophobicContact CZ-CG 4.06Å; M56-Q94 HydrophobicContact CE-CB 4.01Å; R90-Q94 PolarHBondContact O-N 2.9Å; R90-Q94 VanDerWaalsContact O-N 3.14Å; V91-Q94 PolarHBondContact O-N 3.46Å; Q94-E97 WeakPolarHBondContact CA-OE2 3.5Å; Q94-E97 PolarHBondContact NE2-OE2 2.78Å; Q94-N98 WeakPolarHBondContact O-CB 3.31Å; Q94-N98 PolarHBondContact O-N 3.41Å; Q94-N98 VanDerWaalsContact O-N 3.12Å; Q94-N98 PolarHBondContact O-ND2 3.22Å |
| 95 | C | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -80 | -28.5 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | I84 V91 A92 L93 I99 I102 L133 | I84-C95 HydrophobicContact CD1-CB 4.05Å; V91-C95 PolarHBondContact O-N 3.48Å; V91-C95 PolarHBondContact O-SG 3.09Å; A92-C95 PolarHBondContact O-N 2.9Å; L93-C95 PolarHBondContact O-N 3.39Å; C95-I99 VanDerWaalsContact O-CA 3.26Å; C95-I99 WeakPolarHBondContact O-CA 3.46Å; C95-I99 WeakPolarHBondContact O-CB 3.46Å; C95-I99 PolarHBondContact O-N 3.32Å; C95-I99 VanDerWaalsContact O-N 3.12Å; C95-I102 HydrophobicContact CB-CD1 4.01Å; C95-L133 HydrophobicContact CB-CD1 3.77Å; C95-L133 HydrophobicContact CB-CD2 3.63Å; C95-L133 HydrophobicContact CB-CG 4.38Å |
| 96 | K | 92.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 30% | 0.3 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.3 | -44.8 | 169.7 | -68 | 172.1 | 79.2 | -164.9 | 0 | 110.8 | A92 L93 N98 I99 L133 E136 | A92-K96 WeakPolarHBondContact O-CG 3.28Å; A92-K96 PolarHBondContact O-N 3.41Å; L93-K96 PolarHBondContact O-N 3.1Å; K96-N98 PolarHBondContact O-N 3.3Å; K96-I99 WeakPolarHBondContact O-CB 3.45Å; K96-I99 WeakPolarHBondContact O-CG2 3.43Å; K96-I99 PolarHBondContact O-N 3.31Å; K96-L133 HydrophobicContact CG-CD2 4.26Å; K96-E136 IonicContact NZ-OE1 2.69Å; K96-E136 PolarHBondContact NZ-OE1 2.99Å; K96-E136 IonicContact NZ-OE2 2.69Å; K96-E136 PolarHBondContact NZ-OE2 2.92Å |
| 97 | E | 93.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 57.6 Ų | 57.6 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.2 | -48.4 | 174.4 | -71.2 | 166.9 | 178.4 | 0 | 0 | 111.8 | L93 Q94 | L93-E97 WeakPolarHBondContact O-CG 3.26Å; L93-E97 PolarHBondContact O-N 2.92Å; Q94-E97 WeakPolarHBondContact CA-OE2 3.5Å; Q94-E97 PolarHBondContact NE2-OE2 2.78Å |
| 98 | N | 91.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 58.2 Ų | 58.2 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 25.8 | -174.2 | -61.8 | -83.8 | 0 | 0 | 0 | 113 | W60 Q94 K96 F100 A101 | W60-N98 HydrophobicContact CH2-CB 3.73Å; W60-N98 HydrophobicContact CZ2-CB 3.67Å; Q94-N98 WeakPolarHBondContact O-CB 3.31Å; Q94-N98 PolarHBondContact O-N 3.41Å; Q94-N98 VanDerWaalsContact O-N 3.12Å; Q94-N98 PolarHBondContact O-ND2 3.22Å; K96-N98 PolarHBondContact O-N 3.3Å; N98-F100 PolarHBondContact O-N 3.04Å; N98-A101 PolarHBondContact O-N 2.97Å |
| 99 | I | 92.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.3 | -27.4 | -173.3 | -166 | 169.4 | 0 | 0 | 0 | 113.3 | C95 K96 A101 I102 Q103 L133 K134 | C95-I99 VanDerWaalsContact O-CA 3.26Å; C95-I99 WeakPolarHBondContact O-CA 3.46Å; C95-I99 WeakPolarHBondContact O-CB 3.46Å; C95-I99 PolarHBondContact O-N 3.32Å; C95-I99 VanDerWaalsContact O-N 3.12Å; K96-I99 WeakPolarHBondContact O-CB 3.45Å; K96-I99 WeakPolarHBondContact O-CG2 3.43Å; K96-I99 PolarHBondContact O-N 3.31Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.38Å; I99-I102 PolarHBondContact O-N 3.38Å; I99-Q103 HydrophobicContact CG1-CG 4.42Å; I99-Q103 WeakPolarHBondContact O-CB 3.36Å; I99-Q103 WeakPolarHBondContact O-CG 3.21Å; I99-Q103 PolarHBondContact O-N 3.32Å; I99-L133 HydrophobicContact CD1-CB 4.03Å; I99-K134 HydrophobicContact CD1-CG 4.2Å |
| 100 | F | 93.5 | Very high | 92.5 | Very high | 154 Ų | 154 | 60.5 Ų | 60.5 | 68% | 0.675 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.9 | -38.2 | 175.1 | -62.3 | -73.2 | 0 | 0 | 0 | 113.2 | N98 I102 Q103 T104 | N98-F100 PolarHBondContact O-N 3.04Å; F100-I102 VanDerWaalsContact C-N 3.28Å; F100-I102 PolarHBondContact O-N 2.89Å; F100-Q103 PolarHBondContact O-N 2.97Å; F100-Q103 VanDerWaalsContact O-N 3.16Å; F100-T104 PolarHBondContact O-N 3.21Å |
| 101 | A | 91.9 | Very high | 92.4 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 37% | 0.372 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72 | -20.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W60 N98 I99 T104 | W60-A101 HydrophobicContact CE3-CB 4.27Å; W60-A101 HydrophobicContact CZ3-CB 3.79Å; N98-A101 PolarHBondContact O-N 2.97Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.38Å; A101-T104 PolarHBondContact O-OG1 3.44Å |
| 102 | I | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -83.3 | -36.9 | 169.4 | -54 | 175.8 | 0 | 0 | 0 | 109.6 | W60 L77 L80 C95 I99 F100 L105 S126 L129 V130 L133 | W60-I102 HydrophobicContact CH2-CD1 3.97Å; W60-I102 HydrophobicContact CH2-CG1 3.76Å; W60-I102 HydrophobicContact CZ3-CD1 4.49Å; W60-I102 HydrophobicContact CZ3-CG1 3.82Å; L77-I102 HydrophobicContact CD2-CG2 4.18Å; L80-I102 HydrophobicContact CD2-CD1 4.02Å; C95-I102 HydrophobicContact CB-CD1 4.01Å; I99-I102 PolarHBondContact O-N 3.38Å; F100-I102 VanDerWaalsContact C-N 3.28Å; F100-I102 PolarHBondContact O-N 2.89Å; I102-L105 WeakPolarHBondContact O-CB 3.43Å; I102-L105 PolarHBondContact O-N 3.03Å; I102-S126 PolarHBondContact O-OG 2.92Å; I102-L129 HydrophobicContact CD1-CD2 4.48Å; I102-L129 HydrophobicContact CG2-CD2 4.08Å; I102-L129 HydrophobicContact CG2-CG 4.43Å; I102-V130 HydrophobicContact CB-CG2 4.35Å; I102-V130 HydrophobicContact CG2-CG2 3.85Å; I102-L133 HydrophobicContact CD1-CD1 3.5Å; I102-L133 VanDerWaalsContact CD1-CD1 3.5Å |
| 103 | Q | 93.5 | Very high | 91.9 | Very high | 37 Ų | 37 | 71.6 Ų | 71.6 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67 | -34.2 | -178.9 | -80.9 | -167.4 | 86.2 | 0 | 0 | 114.5 | I99 F100 L105 K106 V130 | I99-Q103 HydrophobicContact CG1-CG 4.42Å; I99-Q103 WeakPolarHBondContact O-CB 3.36Å; I99-Q103 WeakPolarHBondContact O-CG 3.21Å; I99-Q103 PolarHBondContact O-N 3.32Å; F100-Q103 PolarHBondContact O-N 2.97Å; F100-Q103 VanDerWaalsContact O-N 3.16Å; Q103-L105 PolarHBondContact O-N 3.41Å; Q103-L105 VanDerWaalsContact O-N 3.16Å; Q103-K106 HydrophobicContact CB-CD 4.48Å; Q103-K106 HydrophobicContact CG-CD 4.36Å; Q103-K106 VanDerWaalsContact O-CB 3.26Å; Q103-K106 WeakPolarHBondContact O-CB 3.47Å; Q103-K106 WeakPolarHBondContact O-CE 3.45Å; Q103-K106 VanDerWaalsContact O-CG 3.23Å; Q103-K106 WeakPolarHBondContact O-CG 3.22Å; Q103-K106 PolarHBondContact O-N 2.77Å; Q103-V130 HydrophobicContact CB-CG2 4.46Å; Q103-V130 HydrophobicContact CG-CB 4.28Å; Q103-V130 HydrophobicContact CG-CG1 3.66Å; Q103-V130 HydrophobicContact CG-CG2 3.54Å |
| 104 | T | 93.5 | Very high | 91.7 | Very high | 94 Ų | 94 | 72.4 Ų | 72.4 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -59.7 | -24.9 | 174.2 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | F100 A101 K106 D107 | F100-T104 PolarHBondContact O-N 3.21Å; A101-T104 PolarHBondContact O-OG1 3.44Å; T104-K106 VanDerWaalsContact C-N 3.26Å; T104-K106 PolarHBondContact O-N 3.22Å; T104-D107 PolarHBondContact O-N 3.07Å |
| 105 | L | 92.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -75.6 | -10.3 | 177.7 | -54.7 | 176.8 | 0 | 0 | 0 | 113.6 | L63 V73 L77 I102 Q103 D107 F108 V122 R123 | L63-L105 HydrophobicContact CB-CD1 4.21Å; L63-L105 HydrophobicContact CD2-CD1 3.8Å; V73-L105 HydrophobicContact CG1-CD1 3.92Å; V73-L105 HydrophobicContact CG1-CD2 3.95Å; L77-L105 HydrophobicContact CD1-CD1 4.21Å; L77-L105 HydrophobicContact CD2-CD1 4.01Å; L77-L105 HydrophobicContact CG-CD1 4.21Å; I102-L105 WeakPolarHBondContact O-CB 3.43Å; I102-L105 PolarHBondContact O-N 3.03Å; Q103-L105 PolarHBondContact O-N 3.41Å; Q103-L105 VanDerWaalsContact O-N 3.16Å; L105-D107 PolarHBondContact O-N 3.48Å; L105-F108 HydrophobicContact CD2-CD2 4.17Å; L105-F108 VanDerWaalsContact O-CB 3.31Å; L105-F108 WeakPolarHBondContact O-CB 3.27Å; L105-F108 PolarHBondContact O-N 2.85Å; L105-V122 HydrophobicContact CB-CG1 4.29Å; L105-R123 WeakPolarHBondContact O-CA 3.3Å |
| 106 | K | 92 | Very high | 91.3 | Very high | 63 Ų | 63 | 78 Ų | 78 | 27% | 0.274 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -62.4 | -26.4 | 170.9 | -64.8 | 177.4 | -56 | -177 | 0 | 111.9 | Q103 T104 R123 S126 K127 | Q103-K106 HydrophobicContact CB-CD 4.48Å; Q103-K106 HydrophobicContact CG-CD 4.36Å; Q103-K106 VanDerWaalsContact O-CB 3.26Å; Q103-K106 WeakPolarHBondContact O-CB 3.47Å; Q103-K106 WeakPolarHBondContact O-CE 3.45Å; Q103-K106 VanDerWaalsContact O-CG 3.23Å; Q103-K106 WeakPolarHBondContact O-CG 3.22Å; Q103-K106 PolarHBondContact O-N 2.77Å; T104-K106 VanDerWaalsContact C-N 3.26Å; T104-K106 PolarHBondContact O-N 3.22Å; K106-R123 VanDerWaalsContact O-CB 3.23Å; K106-R123 WeakPolarHBondContact O-CB 3.3Å; K106-R123 WeakPolarHBondContact O-CD 3.32Å; K106-R123 WeakPolarHBondContact O-CG 3.41Å; K106-S126 WeakPolarHBondContact CG-OG 3.39Å; K106-S126 PolarHBondContact N-OG 3.15Å; K106-S126 VanDerWaalsContact N-OG 3.12Å; K106-K127 HydrophobicContact CG-CG 4.24Å |
| 107 | D | 91.6 | Very high | 91.4 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 66% | 0.663 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -107.8 | 10.3 | -175.3 | -52.7 | -58.5 | 0 | 0 | 0 | 111.7 | T104 L105 Q109 | T104-D107 PolarHBondContact O-N 3.07Å; L105-D107 PolarHBondContact O-N 3.48Å; D107-Q109 PolarHBondContact O-N 3.23Å |
| 108 | F | 92 | Very high | 91.2 | Very high | 14 Ų | 14 | 73 Ų | 73 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | trans | -60.9 | 117.5 | -180 | -174.4 | -83 | 0 | 0 | 0 | 112.1 | W70 V73 L105 V122 R123 | W70-F108 HydrophobicContact CB-CE1 3.74Å; W70-F108 HydrophobicContact CB-CZ 3.82Å; V73-F108 HydrophobicContact CG2-CE2 4.04Å; V73-F108 HydrophobicContact CG2-CZ 4.34Å; L105-F108 HydrophobicContact CD2-CD2 4.17Å; L105-F108 VanDerWaalsContact O-CB 3.31Å; L105-F108 WeakPolarHBondContact O-CB 3.27Å; L105-F108 PolarHBondContact O-N 2.85Å; F108-V122 HydrophobicContact CB-CB 4.24Å; F108-V122 HydrophobicContact CB-CG1 3.72Å; F108-V122 HydrophobicContact CD1-CB 3.77Å; F108-V122 HydrophobicContact CD1-CG1 3.85Å; F108-V122 HydrophobicContact CD1-CG2 3.96Å; F108-V122 HydrophobicContact CD2-CG1 4.18Å; F108-V122 HydrophobicContact CE1-CB 4.38Å; F108-V122 HydrophobicContact CE1-CG2 4.06Å; F108-V122 HydrophobicContact CG-CB 4.09Å; F108-V122 HydrophobicContact CG-CG1 3.66Å; F108-R123 HydrophobicContact CB-CG 4.26Å; F108-R123 WeakPolarHBondContact O-CD 3.3Å; F108-R123 WeakPolarHBondContact O-CG 3.46Å; F108-R123 PolarHBondContact O-NH1 2.95Å | ||
| 109 | Q | 90.2 | Very high | 91.1 | Very high | 147 Ų | 147 | 69.8 Ų | 69.8 | 69% | 0.687 | 36% | 0.359 | S | S | * | . | trans | -115.3 | 124.5 | 179.4 | -164.5 | 170.5 | 61.6 | 0 | 0 | 110.9 | D107 | D107-Q109 PolarHBondContact O-N 3.23Š| ||
| 110 | Y | 91.2 | Very high | 91.1 | Very high | 45 Ų | 45 | 73 Ų | 73 | 18% | 0.176 | 38% | 0.375 | C | S | . | . | trans | -148.2 | 109.6 | 168.6 | 177.8 | -105.6 | 0 | 0 | 0 | 110.1 | W70 D112 Q118 G119 | W70-Y110 HydrophobicContact CB-CD1 4.32Å; W70-Y110 AromaticContact CD1-CD1 3.22Å; W70-Y110 AromaticContact CD1-CE1 3.3Å; W70-Y110 AromaticContact CG-CD1 3.91Å; W70-Y110 HydrophobicContact CG-CD1 3.91Å; W70-Y110 HydrophobicContact CG-CE1 4.36Å; W70-Y110 AromaticContact NE1-CD1 3.78Å; W70-Y110 AromaticContact NE1-CE1 3.55Å; Y110-D112 HydrophobicContact CE1-CB 4.14Å; Y110-Q118 HydrophobicContact CD1-CB 4.15Å; Y110-Q118 HydrophobicContact CD1-CG 4.37Å; Y110-Q118 HydrophobicContact CE1-CG 4.5Å; Y110-Q118 PolarHBondContact O-N 2.66Å; Y110-G119 PolarHBondContact O-N 3.2Å | ||
| 111 | I | 89.9 | Confident | 91 | Very high | 98 Ų | 98 | 69 Ų | 69 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -91 | 123.7 | 170.5 | -56.9 | 175.2 | 0 | 0 | 0 | 107.2 | D117 | I111-D117 HydrophobicContact CG1-CB 4.45Å |
| 112 | D | 89.1 | Confident | 91.1 | Very high | 38 Ų | 38 | 66.9 Ų | 66.9 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | trans | -73.5 | 169.3 | 177.8 | -145.8 | -29.2 | 0 | 0 | 0 | 111.1 | Y110 D114 G115 K116 Q118 | Y110-D112 HydrophobicContact CE1-CB 4.14Å; D112-D114 PolarHBondContact O-N 2.89Å; D112-D114 VanDerWaalsContact O-N 3.09Å; D112-G115 PolarHBondContact O-N 3.49Å; D112-K116 WeakPolarHBondContact CB-O 3.2Å; D112-K116 PolarHBondContact N-O 3.47Å; D112-Q118 HydrophobicContact CB-CG 3.94Å; D112-Q118 PolarHBondContact OD2-NE2 3.27Å; D112-Q118 VanDerWaalsContact OD2-NE2 3.08Å | ||
| 113 | K | 87.3 | Confident | 91.3 | Very high | 201 Ų | 201 | 69.2 Ų | 69.2 | 87% | 0.874 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.1 | -179.3 | -65.7 | -175.7 | 177.7 | -174.8 | 0 | 113.7 | G115 | K113-G115 PolarHBondContact O-N 2.93Š|
| 114 | D | 88.8 | Confident | 91.3 | Very high | 111 Ų | 111 | 71.2 Ų | 71.2 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 7 | 177.1 | -55.2 | -14.1 | 0 | 0 | 0 | 113.4 | D112 K116 | D112-D114 PolarHBondContact O-N 2.89Å; D112-D114 VanDerWaalsContact O-N 3.09Å; D114-K116 HydrophobicContact CB-CD 3.98Å; D114-K116 HydrophobicContact CB-CG 4.13Å; D114-K116 PolarHBondContact O-N 2.77Å; D114-K116 IonicContact OD2-NZ 3.11Å; D114-K116 PolarHBondContact OD2-NZ 2.75Å |
| 115 | G | 89.1 | Confident | 91.3 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 58% | 0.577 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 76.3 | 3.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | D112 K113 | D112-G115 PolarHBondContact O-N 3.49Å; K113-G115 PolarHBondContact O-N 2.93Å |
| 116 | K | 89.8 | Confident | 91.5 | Very high | 118 Ų | 118 | 68.2 Ų | 68.2 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | trans | -83.9 | 122.8 | -178 | -63.3 | 167.9 | -170.3 | 150.3 | 0 | 111.1 | D112 D114 Q118 | D112-K116 WeakPolarHBondContact CB-O 3.2Å; D112-K116 PolarHBondContact N-O 3.47Å; D114-K116 HydrophobicContact CB-CD 3.98Å; D114-K116 HydrophobicContact CB-CG 4.13Å; D114-K116 PolarHBondContact O-N 2.77Å; D114-K116 IonicContact OD2-NZ 3.11Å; D114-K116 PolarHBondContact OD2-NZ 2.75Å; K116-Q118 PolarHBondContact O-N 3.35Å; K116-Q118 VanDerWaalsContact O-N 3.08Å | ||
| 117 | D | 92.4 | Very high | 91.7 | Very high | 49 Ų | 49 | 69.8 Ų | 69.8 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 96.9 | 171.9 | -175.3 | -3.6 | 0 | 0 | 0 | 110.6 | I111 G119 I120 R123 | I111-D117 HydrophobicContact CG1-CB 4.45Å; D117-G119 VanDerWaalsContact C-N 3.27Å; D117-G119 WeakPolarHBondContact OD1-CA 3.44Å; D117-G119 PolarHBondContact OD1-N 3.36Å; D117-I120 VanDerWaalsContact O-CG2 3.22Å; D117-I120 WeakPolarHBondContact O-CG2 3.34Å; D117-I120 PolarHBondContact OD1-N 3.1Å; D117-I120 VanDerWaalsContact OD1-N 3.13Å; D117-R123 IonicContact OD1-NH1 2.93Å; D117-R123 PolarHBondContact OD1-NH1 2.88Å; D117-R123 VanDerWaalsContact OD1-NH1 3.11Å; D117-R123 IonicContact OD1-NH2 2.74Å; D117-R123 IonicContact OD2-CZ 2.83Å; D117-R123 VanDerWaalsContact OD2-CZ 3.26Å; D117-R123 IonicContact OD2-NH1 2.66Å; D117-R123 PolarHBondContact OD2-NH1 3.4Å; D117-R123 IonicContact OD2-NH2 2.96Å; D117-R123 PolarHBondContact OD2-NH2 3.39Å |
| 118 | Q | 89.4 | Confident | 91.8 | Very high | 38 Ų | 38 | 69.1 Ų | 69.1 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | trans | -78.2 | -18.7 | 172.9 | -51.7 | -78.9 | 10 | 0 | 0 | 111.4 | W70 Y110 D112 K116 I120 N121 | W70-Q118 HydrophobicContact CD2-CB 3.74Å; W70-Q118 HydrophobicContact CD2-CG 4.43Å; W70-Q118 HydrophobicContact CE3-CB 4.1Å; W70-Q118 HydrophobicContact CG-CB 4.23Å; W70-Q118 HydrophobicContact CH2-CB 4.08Å; W70-Q118 HydrophobicContact CH2-CG 4.3Å; W70-Q118 HydrophobicContact CZ2-CB 3.71Å; W70-Q118 HydrophobicContact CZ2-CG 3.63Å; W70-Q118 HydrophobicContact CZ3-CB 4.27Å; Y110-Q118 HydrophobicContact CD1-CB 4.15Å; Y110-Q118 HydrophobicContact CD1-CG 4.37Å; Y110-Q118 HydrophobicContact CE1-CG 4.5Å; Y110-Q118 PolarHBondContact O-N 2.66Å; D112-Q118 HydrophobicContact CB-CG 3.94Å; D112-Q118 PolarHBondContact OD2-NE2 3.27Å; D112-Q118 VanDerWaalsContact OD2-NE2 3.08Å; K116-Q118 PolarHBondContact O-N 3.35Å; K116-Q118 VanDerWaalsContact O-N 3.08Å; Q118-I120 PolarHBondContact O-N 3.38Å; Q118-N121 PolarHBondContact O-N 2.87Å | ||
| 119 | G | 90.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -26.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y110 D117 N121 V122 R123 | Y110-G119 PolarHBondContact O-N 3.2Å; D117-G119 VanDerWaalsContact C-N 3.27Å; D117-G119 WeakPolarHBondContact OD1-CA 3.44Å; D117-G119 PolarHBondContact OD1-N 3.36Å; G119-N121 PolarHBondContact O-N 2.63Å; G119-N121 VanDerWaalsContact O-N 3.15Å; G119-V122 WeakPolarHBondContact O-CA 3.4Å; G119-V122 WeakPolarHBondContact O-CB 3.47Å; G119-V122 PolarHBondContact O-N 3.12Å; G119-R123 VanDerWaalsContact C-NH1 3.33Å; G119-R123 WeakPolarHBondContact O-CG 3.28Å; G119-R123 PolarHBondContact O-N 2.9Å |
| 120 | I | 92.8 | Very high | 92.2 | Very high | 92 Ų | 92 | 61.9 Ų | 61.9 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -52.4 | -39.2 | 177.5 | -161.9 | 171.6 | 0 | 0 | 0 | 112.7 | D117 Q118 V122 R123 E124 | D117-I120 VanDerWaalsContact O-CG2 3.22Å; D117-I120 WeakPolarHBondContact O-CG2 3.34Å; D117-I120 PolarHBondContact OD1-N 3.1Å; D117-I120 VanDerWaalsContact OD1-N 3.13Å; Q118-I120 PolarHBondContact O-N 3.38Å; I120-V122 VanDerWaalsContact C-N 3.35Å; I120-V122 PolarHBondContact O-N 3.48Å; I120-R123 PolarHBondContact O-N 3.28Å; I120-E124 VanDerWaalsContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CB 3.38Å; I120-E124 PolarHBondContact O-N 3.08Å |
| 121 | N | 91.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.2 | -33.4 | 178.3 | -62.2 | -52.3 | 0 | 0 | 0 | 112.5 | Y74 Q118 G119 K125 | Y74-N121 HydrophobicContact CD2-CB 4Å; Y74-N121 HydrophobicContact CE2-CB 3.91Å; Y74-N121 WeakPolarHBondContact CE2-O 3.43Å; Q118-N121 PolarHBondContact O-N 2.87Å; G119-N121 PolarHBondContact O-N 2.63Å; G119-N121 VanDerWaalsContact O-N 3.15Å; N121-K125 VanDerWaalsContact O-CB 3.31Å; N121-K125 WeakPolarHBondContact O-CB 3.3Å; N121-K125 PolarHBondContact O-N 2.98Å |
| 122 | V | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72 | -47.8 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | V73 L77 L105 F108 G119 I120 E124 K125 S126 | V73-V122 HydrophobicContact CB-CG1 4.49Å; V73-V122 HydrophobicContact CG1-CG1 3.71Å; L77-V122 HydrophobicContact CD1-CG1 3.91Å; L105-V122 HydrophobicContact CB-CG1 4.29Å; F108-V122 HydrophobicContact CB-CB 4.24Å; F108-V122 HydrophobicContact CB-CG1 3.72Å; F108-V122 HydrophobicContact CD1-CB 3.77Å; F108-V122 HydrophobicContact CD1-CG1 3.85Å; F108-V122 HydrophobicContact CD1-CG2 3.96Å; F108-V122 HydrophobicContact CD2-CG1 4.18Å; F108-V122 HydrophobicContact CE1-CB 4.38Å; F108-V122 HydrophobicContact CE1-CG2 4.06Å; F108-V122 HydrophobicContact CG-CB 4.09Å; F108-V122 HydrophobicContact CG-CG1 3.66Å; G119-V122 WeakPolarHBondContact O-CA 3.4Å; G119-V122 WeakPolarHBondContact O-CB 3.47Å; G119-V122 PolarHBondContact O-N 3.12Å; I120-V122 VanDerWaalsContact C-N 3.35Å; I120-V122 PolarHBondContact O-N 3.48Å; V122-E124 PolarHBondContact O-N 3.36Å; V122-K125 PolarHBondContact O-N 2.95Å; V122-S126 VanDerWaalsContact O-CB 3.32Å; V122-S126 WeakPolarHBondContact O-CB 3.25Å; V122-S126 PolarHBondContact O-N 2.94Å |
| 123 | R | 95.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 19% | 0.185 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 179 | -64.4 | -165.1 | -59.8 | -87.4 | 7.3 | 111.4 | L105 K106 F108 D117 G119 I120 S126 K127 | L105-R123 WeakPolarHBondContact O-CA 3.3Å; K106-R123 VanDerWaalsContact O-CB 3.23Å; K106-R123 WeakPolarHBondContact O-CB 3.3Å; K106-R123 WeakPolarHBondContact O-CD 3.32Å; K106-R123 WeakPolarHBondContact O-CG 3.41Å; F108-R123 HydrophobicContact CB-CG 4.26Å; F108-R123 WeakPolarHBondContact O-CD 3.3Å; F108-R123 WeakPolarHBondContact O-CG 3.46Å; F108-R123 PolarHBondContact O-NH1 2.95Å; D117-R123 IonicContact OD1-NH1 2.93Å; D117-R123 PolarHBondContact OD1-NH1 2.88Å; D117-R123 VanDerWaalsContact OD1-NH1 3.11Å; D117-R123 IonicContact OD1-NH2 2.74Å; D117-R123 IonicContact OD2-CZ 2.83Å; D117-R123 VanDerWaalsContact OD2-CZ 3.26Å; D117-R123 IonicContact OD2-NH1 2.66Å; D117-R123 PolarHBondContact OD2-NH1 3.4Å; D117-R123 IonicContact OD2-NH2 2.96Å; D117-R123 PolarHBondContact OD2-NH2 3.39Å; G119-R123 VanDerWaalsContact C-NH1 3.33Å; G119-R123 WeakPolarHBondContact O-CG 3.28Å; G119-R123 PolarHBondContact O-N 2.9Å; I120-R123 PolarHBondContact O-N 3.28Å; R123-S126 PolarHBondContact O-N 3.23Å; R123-K127 WeakPolarHBondContact O-CG 3.46Å; R123-K127 PolarHBondContact O-N 2.86Å |
| 124 | E | 95.1 | Very high | 92.9 | Very high | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | -176.9 | -170.1 | 48.1 | -138.3 | 0 | 0 | 111.9 | I120 V122 S126 K127 Q128 | I120-E124 VanDerWaalsContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CB 3.38Å; I120-E124 PolarHBondContact O-N 3.08Å; V122-E124 PolarHBondContact O-N 3.36Å; E124-S126 VanDerWaalsContact C-N 3.35Å; E124-S126 PolarHBondContact O-N 3Å; E124-K127 PolarHBondContact O-N 2.93Å; E124-K127 WeakPolarHBondContact OE2-CD 3.41Å; E124-K127 IonicContact OE2-NZ 3.49Å; E124-K127 PolarHBondContact OE2-NZ 2.86Å; E124-Q128 WeakPolarHBondContact O-CG 3.15Å; E124-Q128 PolarHBondContact O-N 2.66Å; E124-Q128 PolarHBondContact OE1-NE2 3.08Å |
| 125 | K | 93.7 | Very high | 93.1 | Very high | 39 Ų | 39 | 53 Ų | 53 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.6 | -33.7 | 176 | -163.1 | 155.6 | -163.7 | 164.8 | 0 | 113.2 | Y74 L77 T78 N121 V122 L129 | Y74-K125 HydrophobicContact CD2-CD 4.41Å; Y74-K125 HydrophobicContact CE2-CB 4.22Å; Y74-K125 HydrophobicContact CE2-CD 3.76Å; L77-K125 HydrophobicContact CB-CG 4.38Å; T78-K125 WeakPolarHBondContact OG1-CE 3.37Å; T78-K125 PolarHBondContact OG1-NZ 3.11Å; N121-K125 VanDerWaalsContact O-CB 3.31Å; N121-K125 WeakPolarHBondContact O-CB 3.3Å; N121-K125 PolarHBondContact O-N 2.98Å; V122-K125 PolarHBondContact O-N 2.95Å; K125-L129 WeakPolarHBondContact O-CB 3.44Å; K125-L129 PolarHBondContact O-N 2.81Å |
| 126 | S | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 171.1 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | I102 K106 V122 R123 E124 Q128 L129 V130 | I102-S126 PolarHBondContact O-OG 2.92Å; K106-S126 WeakPolarHBondContact CG-OG 3.39Å; K106-S126 PolarHBondContact N-OG 3.15Å; K106-S126 VanDerWaalsContact N-OG 3.12Å; V122-S126 VanDerWaalsContact O-CB 3.32Å; V122-S126 WeakPolarHBondContact O-CB 3.25Å; V122-S126 PolarHBondContact O-N 2.94Å; R123-S126 PolarHBondContact O-N 3.23Å; E124-S126 VanDerWaalsContact C-N 3.35Å; E124-S126 PolarHBondContact O-N 3Å; S126-Q128 PolarHBondContact O-N 3.29Å; S126-L129 PolarHBondContact O-N 3.13Å; S126-V130 WeakPolarHBondContact O-CB 3.4Å; S126-V130 VanDerWaalsContact O-CG2 3.22Å; S126-V130 WeakPolarHBondContact O-CG2 3.45Å; S126-V130 PolarHBondContact O-N 3.33Å |
| 127 | K | 95.8 | Very high | 93.2 | Very high | 95 Ų | 95 | 58 Ų | 58 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.8 | -50.1 | 176.1 | -68.7 | 175 | -154.8 | 160.1 | 0 | 111.7 | K106 R123 E124 L129 V130 V131 | K106-K127 HydrophobicContact CG-CG 4.24Å; R123-K127 WeakPolarHBondContact O-CG 3.46Å; R123-K127 PolarHBondContact O-N 2.86Å; E124-K127 PolarHBondContact O-N 2.93Å; E124-K127 WeakPolarHBondContact OE2-CD 3.41Å; E124-K127 IonicContact OE2-NZ 3.49Å; E124-K127 PolarHBondContact OE2-NZ 2.86Å; K127-L129 VanDerWaalsContact C-N 3.34Å; K127-L129 PolarHBondContact O-N 3.24Å; K127-V130 PolarHBondContact O-N 3.41Å; K127-V131 WeakPolarHBondContact O-CG2 3.48Å; K127-V131 PolarHBondContact O-N 3.4Å |
| 128 | Q | 94.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | -179.3 | -68.8 | 171.1 | 13.3 | 0 | 0 | 111.3 | E124 S126 V131 L132 | E124-Q128 WeakPolarHBondContact O-CG 3.15Å; E124-Q128 PolarHBondContact O-N 2.66Å; E124-Q128 PolarHBondContact OE1-NE2 3.08Å; S126-Q128 PolarHBondContact O-N 3.29Å; Q128-V131 PolarHBondContact O-N 3.44Å; Q128-L132 PolarHBondContact O-N 3.44Å |
| 129 | L | 94.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -37 | 178 | -167 | 58.9 | 0 | 0 | 0 | 112.7 | L77 L80 D81 I84 I102 K125 S126 K127 L132 L133 | L77-L129 HydrophobicContact CD2-CD2 3.97Å; L80-L129 HydrophobicContact CD2-CD2 4.29Å; L80-L129 HydrophobicContact CG-CD2 4.4Å; D81-L129 HydrophobicContact CB-CD1 4.03Å; I84-L129 HydrophobicContact CD1-CD1 3.73Å; I84-L129 HydrophobicContact CD1-CD2 4.46Å; I84-L129 HydrophobicContact CD1-CG 4.39Å; I102-L129 HydrophobicContact CD1-CD2 4.48Å; I102-L129 HydrophobicContact CG2-CD2 4.08Å; I102-L129 HydrophobicContact CG2-CG 4.43Å; K125-L129 WeakPolarHBondContact O-CB 3.44Å; K125-L129 PolarHBondContact O-N 2.81Å; S126-L129 PolarHBondContact O-N 3.13Å; K127-L129 VanDerWaalsContact C-N 3.34Å; K127-L129 PolarHBondContact O-N 3.24Å; L129-L132 PolarHBondContact O-N 2.98Å; L129-L133 HydrophobicContact CG-CD1 4.09Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 2.78Å |
| 130 | V | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 176 | 168 | 0 | 0 | 0 | 0 | 112.1 | I102 Q103 S126 K127 K134 | I102-V130 HydrophobicContact CB-CG2 4.35Å; I102-V130 HydrophobicContact CG2-CG2 3.85Å; Q103-V130 HydrophobicContact CB-CG2 4.46Å; Q103-V130 HydrophobicContact CG-CB 4.28Å; Q103-V130 HydrophobicContact CG-CG1 3.66Å; Q103-V130 HydrophobicContact CG-CG2 3.54Å; S126-V130 WeakPolarHBondContact O-CB 3.4Å; S126-V130 VanDerWaalsContact O-CG2 3.22Å; S126-V130 WeakPolarHBondContact O-CG2 3.45Å; S126-V130 PolarHBondContact O-N 3.33Å; K127-V130 PolarHBondContact O-N 3.41Å; V130-K134 VanDerWaalsContact O-CG 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.33Å; V130-K134 PolarHBondContact O-N 2.86Å |
| 131 | V | 94.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 65.2 Ų | 65.2 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66 | -48.1 | 171.9 | 169.7 | 0 | 0 | 0 | 0 | 109.9 | K127 Q128 L133 K134 D135 | K127-V131 WeakPolarHBondContact O-CG2 3.48Å; K127-V131 PolarHBondContact O-N 3.4Å; Q128-V131 PolarHBondContact O-N 3.44Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 2.92Å; V131-K134 PolarHBondContact O-N 2.9Å; V131-K134 VanDerWaalsContact O-N 3.16Å; V131-D135 PolarHBondContact O-N 3.45Å |
| 132 | L | 93.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 178.3 | -175.5 | 62.2 | 0 | 0 | 0 | 113 | K85 Q128 L129 K134 R138 L139 E142 | K85-L132 HydrophobicContact CG-CD2 4.47Å; Q128-L132 PolarHBondContact O-N 3.44Å; L129-L132 PolarHBondContact O-N 2.98Å; L132-K134 VanDerWaalsContact C-N 3.29Å; L132-K134 PolarHBondContact O-N 3.37Å; L132-R138 HydrophobicContact CD1-CG 4.26Å; L132-L139 HydrophobicContact CD1-CB 4.09Å; L132-L139 HydrophobicContact CD1-CD1 4.29Å; L132-L139 HydrophobicContact CD2-CD1 4.31Å; L132-L139 HydrophobicContact CG-CB 4.46Å; L132-L139 HydrophobicContact CG-CD1 4.1Å; L132-E142 HydrophobicContact CD1-CB 4.45Å; L132-E142 HydrophobicContact CD1-CG 4.28Å |
| 133 | L | 92.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.2 | -14.2 | 178.4 | -74.2 | 167.9 | 0 | 0 | 0 | 114.4 | I84 C95 K96 I99 I102 L129 V131 | I84-L133 HydrophobicContact CD1-CD1 4.31Å; I84-L133 HydrophobicContact CD1-CD2 3.98Å; I84-L133 HydrophobicContact CD1-CG 4.39Å; C95-L133 HydrophobicContact CB-CD1 3.77Å; C95-L133 HydrophobicContact CB-CD2 3.63Å; C95-L133 HydrophobicContact CB-CG 4.38Å; K96-L133 HydrophobicContact CG-CD2 4.26Å; I99-L133 HydrophobicContact CD1-CB 4.03Å; I102-L133 HydrophobicContact CD1-CD1 3.5Å; I102-L133 VanDerWaalsContact CD1-CD1 3.5Å; L129-L133 HydrophobicContact CG-CD1 4.09Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 2.78Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 2.92Å |
| 134 | K | 92.2 | Very high | 93.1 | Very high | 147 Ų | 147 | 65.1 Ų | 65.1 | 64% | 0.639 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -86.8 | -31.1 | 173.5 | -77.7 | 177.3 | 176.2 | -168.4 | 0 | 112.9 | I99 V130 V131 L132 | I99-K134 HydrophobicContact CD1-CG 4.2Å; V130-K134 VanDerWaalsContact O-CG 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.33Å; V130-K134 PolarHBondContact O-N 2.86Å; V131-K134 PolarHBondContact O-N 2.9Å; V131-K134 VanDerWaalsContact O-N 3.16Å; L132-K134 VanDerWaalsContact C-N 3.29Å; L132-K134 PolarHBondContact O-N 3.37Å |
| 135 | D | 92.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 67.9 Ų | 67.9 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | trans | -101.4 | 93.1 | -178 | -174 | -16.6 | 0 | 0 | 0 | 110.4 | V131 E137 R138 L139 | V131-D135 PolarHBondContact O-N 3.45Å; D135-E137 PolarHBondContact OD1-N 3.27Å; D135-R138 HydrophobicContact CB-CB 3.93Å; D135-R138 WeakPolarHBondContact OD1-CB 3.11Å; D135-R138 PolarHBondContact OD1-N 3.46Å; D135-R138 WeakPolarHBondContact OD2-CB 3.28Å; D135-L139 VanDerWaalsContact O-CB 3.24Å; D135-L139 WeakPolarHBondContact O-CB 3.16Å; D135-L139 PolarHBondContact O-N 3.44Å | ||
| 136 | E | 89.8 | Confident | 92.7 | Very high | 111 Ų | 111 | 67.3 Ų | 67.3 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.8 | -29.3 | -175.8 | -177.7 | 143.6 | -127.8 | 0 | 0 | 113.4 | K96 K140 | K96-E136 IonicContact NZ-OE1 2.69Å; K96-E136 PolarHBondContact NZ-OE1 2.99Å; K96-E136 IonicContact NZ-OE2 2.69Å; K96-E136 PolarHBondContact NZ-OE2 2.92Å; E136-K140 WeakPolarHBondContact O-CB 3.25Å; E136-K140 PolarHBondContact O-N 3.44Å |
| 137 | E | 91.7 | Very high | 92.4 | Very high | 168 Ų | 168 | 70.2 Ų | 70.2 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.9 | -49.3 | 175.8 | -176.7 | 171.7 | -167.2 | 0 | 0 | 110.4 | D135 L139 K140 G141 | D135-E137 PolarHBondContact OD1-N 3.27Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 3.25Å; E137-K140 WeakPolarHBondContact O-CB 3.22Å; E137-K140 PolarHBondContact O-N 2.87Å; E137-G141 PolarHBondContact O-N 2.93Å |
| 138 | R | 92.4 | Very high | 92.2 | Very high | 129 Ų | 129 | 72.3 Ų | 72.3 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 173.6 | 179.3 | -177.6 | 167.6 | 150.4 | 5.2 | 111.9 | L132 D135 K140 G141 E142 | L132-R138 HydrophobicContact CD1-CG 4.26Å; D135-R138 HydrophobicContact CB-CB 3.93Å; D135-R138 WeakPolarHBondContact OD1-CB 3.11Å; D135-R138 PolarHBondContact OD1-N 3.46Å; D135-R138 WeakPolarHBondContact OD2-CB 3.28Å; R138-K140 VanDerWaalsContact C-N 3.33Å; R138-K140 PolarHBondContact O-N 2.96Å; R138-G141 CarbonylContact O-C 3.57Å; R138-G141 WeakPolarHBondContact O-CA 3.35Å; R138-G141 PolarHBondContact O-N 3.45Å; R138-G141 VanDerWaalsContact O-N 3.1Å; R138-E142 HydrophobicContact CG-CG 4.42Å; R138-E142 IonicContact CZ-OE1 3.21Å; R138-E142 IonicContact NE-OE1 2.76Å; R138-E142 PolarHBondContact NE-OE1 2.83Å; R138-E142 IonicContact NH2-OE1 2.68Å; R138-E142 PolarHBondContact NH2-OE1 3.19Å; R138-E142 PolarHBondContact O-N 3.27Å |
| 139 | L | 92.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 175.8 | 171.3 | 56.3 | 0 | 0 | 0 | 111.6 | I84 A92 L132 D135 E137 G141 E142 R143 | I84-L139 HydrophobicContact CG2-CD1 3.34Å; I84-L139 HydrophobicContact CG2-CD2 4.41Å; A92-L139 HydrophobicContact CB-CD2 4.16Å; L132-L139 HydrophobicContact CD1-CB 4.09Å; L132-L139 HydrophobicContact CD1-CD1 4.29Å; L132-L139 HydrophobicContact CD2-CD1 4.31Å; L132-L139 HydrophobicContact CG-CB 4.46Å; L132-L139 HydrophobicContact CG-CD1 4.1Å; D135-L139 VanDerWaalsContact O-CB 3.24Å; D135-L139 WeakPolarHBondContact O-CB 3.16Å; D135-L139 PolarHBondContact O-N 3.44Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 3.25Å; L139-G141 VanDerWaalsContact C-N 3.29Å; L139-G141 PolarHBondContact O-N 3.4Å; L139-E142 PolarHBondContact O-N 2.9Å; L139-R143 WeakPolarHBondContact O-CB 3.48Å; L139-R143 PolarHBondContact O-N 2.9Å |
| 140 | K | 91.3 | Very high | 91.4 | Very high | 153 Ų | 153 | 71.5 Ų | 71.5 | 67% | 0.665 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63 | -36.1 | 175.1 | -169.7 | 176 | -178.6 | 179.3 | 0 | 111.9 | E136 E137 R138 S144 | E136-K140 WeakPolarHBondContact O-CB 3.25Å; E136-K140 PolarHBondContact O-N 3.44Å; E137-K140 WeakPolarHBondContact O-CB 3.22Å; E137-K140 PolarHBondContact O-N 2.87Å; R138-K140 VanDerWaalsContact C-N 3.33Å; R138-K140 PolarHBondContact O-N 2.96Å; K140-S144 VanDerWaalsContact O-CB 3.29Å; K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 3.26Å; K140-S144 PolarHBondContact O-OG 3.09Å |
| 141 | G | 92.2 | Very high | 91 | Very high | 40 Ų | 40 | 77.2 Ų | 77.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -57.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E137 R138 L139 R143 S144 Q145 | E137-G141 PolarHBondContact O-N 2.93Å; R138-G141 CarbonylContact O-C 3.57Å; R138-G141 WeakPolarHBondContact O-CA 3.35Å; R138-G141 PolarHBondContact O-N 3.45Å; R138-G141 VanDerWaalsContact O-N 3.1Å; L139-G141 VanDerWaalsContact C-N 3.29Å; L139-G141 PolarHBondContact O-N 3.4Å; G141-R143 VanDerWaalsContact C-N 3.3Å; G141-R143 PolarHBondContact O-N 3.09Å; G141-S144 WeakPolarHBondContact O-CB 3.03Å; G141-S144 PolarHBondContact O-N 3.05Å; G141-S144 VanDerWaalsContact O-N 3.11Å; G141-Q145 PolarHBondContact O-N 3.1Å |
| 142 | E | 92.1 | Very high | 90.6 | Very high | 40 Ų | 40 | 81.6 Ų | 81.6 | 19% | 0.187 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 178.7 | -73.2 | -168.8 | -155.4 | 0 | 0 | 111.5 | K85 L132 R138 L139 Q145 A146 | K85-E142 WeakPolarHBondContact CE-OE2 3.46Å; K85-E142 IonicContact NZ-OE2 2.68Å; K85-E142 PolarHBondContact NZ-OE2 3.19Å; L132-E142 HydrophobicContact CD1-CB 4.45Å; L132-E142 HydrophobicContact CD1-CG 4.28Å; R138-E142 HydrophobicContact CG-CG 4.42Å; R138-E142 IonicContact CZ-OE1 3.21Å; R138-E142 IonicContact NE-OE1 2.76Å; R138-E142 PolarHBondContact NE-OE1 2.83Å; R138-E142 IonicContact NH2-OE1 2.68Å; R138-E142 PolarHBondContact NH2-OE1 3.19Å; R138-E142 PolarHBondContact O-N 3.27Å; L139-E142 PolarHBondContact O-N 2.9Å; E142-Q145 PolarHBondContact O-N 2.91Å; E142-A146 VanDerWaalsContact O-CB 3.23Å; E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 3.28Å |
| 143 | R | 93.5 | Very high | 89.9 | Confident | 21 Ų | 21 | 87.2 Ų | 87.2 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 173.5 | -180 | 173.8 | 177.9 | 70.2 | 14.4 | 112.4 | I84 K85 G87 E89 L139 G141 Q145 A146 L147 | I84-R143 PolarHBondContact O-NH1 3.2Å; K85-R143 WeakPolarHBondContact O-CA 3.28Å; G87-R143 VanDerWaalsContact O-CZ 3.23Å; G87-R143 PolarHBondContact O-NH1 3.33Å; G87-R143 PolarHBondContact O-NH2 3.09Å; E89-R143 VanDerWaalsContact CG-NH2 3.3Å; E89-R143 IonicContact OE1-NE 2.67Å; E89-R143 PolarHBondContact OE1-NE 3.39Å; E89-R143 IonicContact OE1-NH2 2.77Å; L139-R143 WeakPolarHBondContact O-CB 3.48Å; L139-R143 PolarHBondContact O-N 2.9Å; G141-R143 VanDerWaalsContact C-N 3.3Å; G141-R143 PolarHBondContact O-N 3.09Å; R143-Q145 VanDerWaalsContact C-N 3.29Å; R143-Q145 PolarHBondContact O-N 3.02Å; R143-A146 PolarHBondContact O-N 3.1Å; R143-L147 HydrophobicContact CG-CD1 4.08Å; R143-L147 WeakPolarHBondContact O-CB 3.43Å; R143-L147 WeakPolarHBondContact O-CG 3.39Å; R143-L147 PolarHBondContact O-N 2.85Å |
| 144 | S | 90.9 | Very high | 89.2 | Confident | 58 Ų | 58 | 89.3 Ų | 89.3 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.4 | -32.2 | 177.4 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | K140 G141 K148 | K140-S144 VanDerWaalsContact O-CB 3.29Å; K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 3.26Å; K140-S144 PolarHBondContact O-OG 3.09Å; G141-S144 WeakPolarHBondContact O-CB 3.03Å; G141-S144 PolarHBondContact O-N 3.05Å; G141-S144 VanDerWaalsContact O-N 3.11Å; S144-K148 WeakPolarHBondContact O-CD 3.3Å; S144-K148 VanDerWaalsContact O-CG 3.31Å; S144-K148 WeakPolarHBondContact O-CG 3.48Å |
| 145 | Q | 90.6 | Very high | 88.2 | Confident | 138 Ų | 138 | 88.6 Ų | 88.6 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -77.5 | -41.5 | 175.8 | -170.1 | -174.9 | 33.9 | 0 | 0 | 112.3 | G141 E142 R143 T149 | G141-Q145 PolarHBondContact O-N 3.1Å; E142-Q145 PolarHBondContact O-N 2.91Å; R143-Q145 VanDerWaalsContact C-N 3.29Å; R143-Q145 PolarHBondContact O-N 3.02Å; Q145-T149 PolarHBondContact O-N 2.94Å; Q145-T149 PolarHBondContact O-OG1 3.23Å |
| 146 | A | 89.8 | Confident | 87 | Confident | 26 Ų | 26 | 91.2 Ų | 91.2 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K85 T86 E142 R143 T149 K150 | K85-A146 HydrophobicContact CB-CB 3.97Å; T86-A146 HydrophobicContact CG2-CB 3.91Å; E142-A146 VanDerWaalsContact O-CB 3.23Å; E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 3.28Å; R143-A146 PolarHBondContact O-N 3.1Å; A146-T149 PolarHBondContact O-N 3.42Å; A146-K150 WeakPolarHBondContact O-CB 3.41Å; A146-K150 PolarHBondContact O-N 3.37Å |
| 147 | L | 89.5 | Confident | 85.2 | Confident | 61 Ų | 61 | 90.9 Ų | 90.9 | 32% | 0.319 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.4 | -72.4 | 169.7 | 0 | 0 | 0 | 112.2 | R143 T149 K150 E151 | R143-L147 HydrophobicContact CG-CD1 4.08Å; R143-L147 WeakPolarHBondContact O-CB 3.43Å; R143-L147 WeakPolarHBondContact O-CG 3.39Å; R143-L147 PolarHBondContact O-N 2.85Å; L147-T149 VanDerWaalsContact C-N 3.26Å; L147-T149 PolarHBondContact O-N 3.34Å; L147-K150 PolarHBondContact O-N 3.49Å; L147-E151 WeakPolarHBondContact O-CB 3.28Å; L147-E151 PolarHBondContact O-N 3.36Å |
| 148 | K | 90.9 | Very high | 83.4 | Confident | 139 Ų | 139 | 87.5 Ų | 87.5 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.8 | -35.6 | 175.1 | -71.7 | 174.1 | -178 | -179.2 | 0 | 112.7 | S144 R152 | S144-K148 WeakPolarHBondContact O-CD 3.3Å; S144-K148 VanDerWaalsContact O-CG 3.31Å; S144-K148 WeakPolarHBondContact O-CG 3.48Å; K148-R152 PolarHBondContact O-N 3.26Å |
| 149 | T | 87.4 | Confident | 81.4 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 37% | 0.368 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.5 | -44.6 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | Q145 A146 L147 E151 R152 M153 | Q145-T149 PolarHBondContact O-N 2.94Å; Q145-T149 PolarHBondContact O-OG1 3.23Å; A146-T149 PolarHBondContact O-N 3.42Å; L147-T149 VanDerWaalsContact C-N 3.26Å; L147-T149 PolarHBondContact O-N 3.34Å; T149-E151 VanDerWaalsContact C-N 3.34Å; T149-E151 PolarHBondContact O-N 3.05Å; T149-R152 PolarHBondContact O-N 2.87Å; T149-M153 HydrophobicContact CG2-SD 4.16Å; T149-M153 WeakPolarHBondContact O-CG 3.39Å; T149-M153 PolarHBondContact O-N 3.5Å |
| 150 | K | 85.7 | Confident | 79.1 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 16% | 0.161 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 175.4 | -178.4 | -178.9 | 177.4 | 179.7 | 0 | 111.1 | S40 D44 A146 L147 M153 A154 | S40-K150 PolarHBondContact O-NZ 3.46Å; D44-K150 IonicContact OD1-NZ 2.67Å; D44-K150 PolarHBondContact OD1-NZ 2.97Å; D44-K150 IonicContact OD2-NZ 3.26Å; D44-K150 PolarHBondContact OD2-NZ 3.3Å; A146-K150 WeakPolarHBondContact O-CB 3.41Å; A146-K150 PolarHBondContact O-N 3.37Å; L147-K150 PolarHBondContact O-N 3.49Å; K150-M153 PolarHBondContact O-N 3.14Å; K150-A154 WeakPolarHBondContact O-CB 3.27Å; K150-A154 PolarHBondContact O-N 2.69Å |
| 151 | E | 85.4 | Confident | 77.2 | Confident | 126 Ų | 126 | 88.4 Ų | 88.4 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.9 | -50.4 | 177.2 | -178.6 | 175.3 | -147.4 | 0 | 0 | 111.6 | L147 T149 M153 A154 Q155 | L147-E151 WeakPolarHBondContact O-CB 3.28Å; L147-E151 PolarHBondContact O-N 3.36Å; T149-E151 VanDerWaalsContact C-N 3.34Å; T149-E151 PolarHBondContact O-N 3.05Å; E151-M153 VanDerWaalsContact C-N 3.31Å; E151-M153 PolarHBondContact O-N 2.92Å; E151-A154 PolarHBondContact O-N 2.72Å; E151-Q155 WeakPolarHBondContact O-CG 3.09Å; E151-Q155 PolarHBondContact O-N 2.69Å |
| 152 | R | 87.3 | Confident | 75.2 | Confident | 173 Ų | 173 | 94.9 Ų | 94.9 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58 | -41.8 | 176.4 | -171.2 | -174.1 | -63 | 148.1 | -0.4 | 112.5 | K148 T149 Q155 V156 | K148-R152 PolarHBondContact O-N 3.26Å; T149-R152 PolarHBondContact O-N 2.87Å; R152-Q155 PolarHBondContact O-N 2.83Å; R152-V156 WeakPolarHBondContact O-CG2 3.32Å; R152-V156 PolarHBondContact O-N 3.37Å; R152-V156 VanDerWaalsContact O-N 3.13Å |
| 153 | M | 78.3 | Confident | 73.1 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 60% | 0.601 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.5 | -36 | 178.8 | -66.5 | -179 | 82.2 | 0 | 0 | 112.4 | T149 K150 E151 V156 S157 | T149-M153 HydrophobicContact CG2-SD 4.16Å; T149-M153 WeakPolarHBondContact O-CG 3.39Å; T149-M153 PolarHBondContact O-N 3.5Å; K150-M153 PolarHBondContact O-N 3.14Å; E151-M153 VanDerWaalsContact C-N 3.31Å; E151-M153 PolarHBondContact O-N 2.92Å; M153-V156 PolarHBondContact O-N 3.35Å; M153-S157 PolarHBondContact O-N 2.9Å; M153-S157 VanDerWaalsContact O-N 3.09Å |
| 154 | A | 77.3 | Confident | 70.7 | Confident | 49 Ų | 49 | 102.9 Ų | 102.9 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.5 | -38.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K150 E151 S157 T158 | K150-A154 WeakPolarHBondContact O-CB 3.27Å; K150-A154 PolarHBondContact O-N 2.69Å; E151-A154 PolarHBondContact O-N 2.72Å; A154-S157 PolarHBondContact O-N 3.49Å; A154-T158 PolarHBondContact O-N 2.69Å; A154-T158 PolarHBondContact O-OG1 2.9Å; A154-T158 VanDerWaalsContact O-OG1 3.1Å |
| 155 | Q | 71.1 | Confident | 68.1 | Low | 132 Ų | 132 | 110.7 Ų | 110.7 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.2 | -39.6 | 174.3 | -69.2 | -65 | -46.6 | 0 | 0 | 112.1 | E151 R152 T158 | E151-Q155 WeakPolarHBondContact O-CG 3.09Å; E151-Q155 PolarHBondContact O-N 2.69Å; R152-Q155 PolarHBondContact O-N 2.83Å; Q155-T158 PolarHBondContact O-N 3.34Å; Q155-T158 VanDerWaalsContact O-O 3.14Å |
| 156 | V | 66.6 | Low | 65.4 | Low | 123 Ų | 123 | 107.4 Ų | 107.4 | 75% | 0.745 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.3 | -32.3 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | R152 M153 T158 | R152-V156 WeakPolarHBondContact O-CG2 3.32Å; R152-V156 PolarHBondContact O-N 3.37Å; R152-V156 VanDerWaalsContact O-N 3.13Å; M153-V156 PolarHBondContact O-N 3.35Å; V156-T158 VanDerWaalsContact C-N 3.29Å; V156-T158 PolarHBondContact O-N 2.97Å |
| 157 | S | 52.4 | Low | 63.4 | Low | 105 Ų | 105 | 118.3 Ų | 118.3 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.2 | -12 | 178.2 | -168.6 | 0 | 0 | 0 | 0 | 114.2 | M153 A154 | M153-S157 PolarHBondContact O-N 2.9Å; M153-S157 VanDerWaalsContact O-N 3.09Å; A154-S157 PolarHBondContact O-N 3.49Å |
| 158 | T | 53.6 | Low | 60.7 | Low | 96 Ų | 96 | 118.7 Ų | 118.7 | 59% | 0.589 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -108.2 | 102 | 179.2 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | A154 Q155 V156 S160 | A154-T158 PolarHBondContact O-N 2.69Å; A154-T158 PolarHBondContact O-OG1 2.9Å; A154-T158 VanDerWaalsContact O-OG1 3.1Å; Q155-T158 PolarHBondContact O-N 3.34Å; Q155-T158 VanDerWaalsContact O-O 3.14Å; V156-T158 VanDerWaalsContact C-N 3.29Å; V156-T158 PolarHBondContact O-N 2.97Å; T158-S160 PolarHBondContact O-N 2.89Å |
| 159 | G | 50.6 | Low | 58.8 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | trans | -63.3 | 86.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T161 | G159-T161 VanDerWaalsContact C-N 3.27Å; G159-T161 PolarHBondContact O-N 2.82Å | ||
| 160 | S | 45.1 | Very low | 56.4 | Low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | trans | -79.1 | 73.3 | 178.3 | -164.7 | 0 | 0 | 0 | 0 | 111.2 | T158 | T158-S160 PolarHBondContact O-N 2.89Š| ||
| 161 | T | 51 | Low | 54 | Low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -72.9 | 137.8 | 166.5 | -51.5 | 0 | 0 | 0 | 0 | 109 | G159 | G159-T161 VanDerWaalsContact C-N 3.27Å; G159-T161 PolarHBondContact O-N 2.82Å | ||
| 162 | Q | 50.2 | Low | 52 | Low | 177 Ų | 177 | 127.1 Ų | 127.1 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | 71.5 | 102.6 | -179.4 | -166.2 | 177.8 | -42.1 | 0 | 0 | 113.1 | ||||
| 163 | M | 47.1 | Very low | 49.4 | Very low | 174 Ų | 174 | 125.2 Ų | 125.2 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | -145.3 | 147 | 58.8 | -174.7 | 63 | 174.4 | 0 | 0 | 112.3 | |||||
| 164 | G | 44 | Very low | 47.7 | Very low | 55 Ų | 55 | 127.3 Ų | 127.3 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | trans | -127.2 | 134.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 165 | F | 36.8 | Very low | 45.7 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 97% | 0.969 | 77% | 0.77 | S | S | * | * | trans | -166.7 | 133 | 132.4 | -133.7 | -100.6 | 0 | 0 | 0 | 109.6 | ||||
| 166 | G | 32.5 | Very low | 43.9 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 164.1 | 69.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G168 | G166-G168 VanDerWaalsContact C-N 3.29Å; G166-G168 PolarHBondContact O-N 3.08Å | ||
| 167 | R | 48.6 | Very low | 42.2 | Very low | 254 Ų | 254 | 129.7 Ų | 129.7 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -72.8 | 78.1 | 177 | -171 | -168.7 | -168.7 | -81.9 | 3.7 | 111.1 | ||||
| 168 | G | 33.8 | Very low | 41.3 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -122.1 | 116.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G166 S170 | G166-G168 VanDerWaalsContact C-N 3.29Å; G166-G168 PolarHBondContact O-N 3.08Å; G168-S170 PolarHBondContact O-N 3.23Å | ||
| 169 | S | 50.4 | Low | 40.5 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -81.3 | 106.6 | -178 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 170 | S | 36.4 | Very low | 39.6 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -166 | 110.4 | 157 | -80.3 | 0 | 0 | 0 | 0 | 109.9 | G168 | G168-S170 PolarHBondContact O-N 3.23Š| ||
| 171 | Q | 36.6 | Very low | 39.1 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -83.6 | 131.4 | 165.4 | -74.3 | -170.5 | -10.4 | 0 | 0 | 109.6 | N173 | Q171-N173 VanDerWaalsContact C-N 3.33Å; Q171-N173 PolarHBondContact O-N 2.81Å; Q171-N173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | P | 41.8 | Very low | 38.2 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 95.1 | 154.8 | 30.5 | -29.2 | 0 | 0 | 0 | 107.5 | ||||
| 173 | N | 32.4 | Very low | 37.3 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -60.5 | 135.2 | -178.8 | -170.5 | -2.7 | 0 | 0 | 0 | 110.7 | Q171 | Q171-N173 VanDerWaalsContact C-N 3.33Å; Q171-N173 PolarHBondContact O-N 2.81Å; Q171-N173 VanDerWaalsContact O-N 3.09Å | ||
| 174 | L | 43 | Very low | 36.6 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -124.3 | 76.5 | -177.7 | -169.8 | 74.2 | 0 | 0 | 0 | 111.1 | ||||
| 175 | S | 34.8 | Very low | 36.2 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -146.6 | 105.8 | 168.7 | -83.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 176 | T | 34.9 | Very low | 36 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | 19.7 | 101.2 | 141.4 | -47 | 0 | 0 | 0 | 0 | 121 | ||||
| 177 | S | 30.4 | Very low | 35.9 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | -176.6 | 136.8 | 127.2 | 60.6 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 178 | Y | 33.4 | Very low | 35.5 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 46.5 | 94.3 | 64.7 | -165.6 | -98.4 | 0 | 0 | 0 | 115.7 | |||||
| 179 | S | 36.1 | Very low | 36.5 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 53% | 0.531 | 77% | 0.771 | S | S | . | * | trans | 63.4 | 167.1 | 138.9 | -146.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 180 | E | 31.7 | Very low | 35.6 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | 62 | 156 | 176.1 | -94.8 | 61.6 | -149.5 | 0 | 0 | 115.6 | ||||
| 181 | E | 35.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 57% | 0.57 | 77% | 0.766 | S | S | * | * | cis | -145.9 | 179.1 | 1.1 | -152.9 | -156 | 109.1 | 0 | 0 | 109.3 | G183 R184 | E181-G183 PolarHBondContact OE1-N 3Å; E181-R184 PolarHBondContact OE1-N 2.99Å | ||
| 182 | Y | 31.5 | Very low | 35.7 | Very low | 229 Ų | 229 | 138 Ų | 138 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | -176.8 | 105.8 | 110.1 | -96.9 | -62.9 | 0 | 0 | 0 | 110.8 | |||||
| 183 | G | 32.1 | Very low | 35.7 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | -134.1 | -28.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E181 | E181-G183 PolarHBondContact OE1-N 3Š| ||
| 184 | R | 32.3 | Very low | 35.5 | Very low | 216 Ų | 216 | 137 Ų | 137 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | 63.1 | 134 | 166.2 | -141 | -170.4 | -159.3 | -102.5 | 6.9 | 119.7 | E181 | E181-R184 PolarHBondContact OE1-N 2.99Š| ||
| 185 | S | 34.9 | Very low | 35.5 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | trans | 88.8 | 122 | 147.4 | -82.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 186 | E | 33.8 | Very low | 35.5 | Very low | 199 Ų | 199 | 134.7 Ų | 134.7 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | 90.4 | 122.5 | 140.8 | -146.8 | 163.8 | 156.3 | 0 | 0 | 119.6 | ||||
| 187 | G | 29.9 | Very low | 35.4 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | 112.3 | 71.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 188 | S | 40.5 | Very low | 36.3 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -75.3 | 160.5 | 151.2 | -78.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 189 | P | 54.9 | Low | 37 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | cis | -145 | -160.6 | 27.5 | 43.8 | -23.3 | 0 | 0 | 0 | 116.4 | ||||
| 190 | A | 31.2 | Very low | 37.4 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | 97.7 | 78.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 191 | S | 40.1 | Very low | 37.9 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | 33.2 | 120.2 | 119.1 | -47.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 192 | Y | 33.9 | Very low | 38.8 | Very low | 247 Ų | 247 | 123.3 Ų | 123.3 | 97% | 0.969 | 75% | 0.749 | S | S | * | * | -150.7 | 143.1 | 128.7 | -119.9 | -80.9 | 0 | 0 | 0 | 111.1 | |||||
| 193 | H | 42.4 | Very low | 39.8 | Very low | 163 Ų | 163 | 120.5 Ų | 120.5 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -113.3 | 138.9 | -175.8 | 169.6 | -85.4 | 0 | 0 | 0 | 110.8 | S195 | H193-S195 PolarHBondContact CE1-OG 2.86Å; H193-S195 VanDerWaalsContact CE1-OG 3.31Å | ||
| 194 | G | 29 | Very low | 40.7 | Very low | 76 Ų | 76 | 124.5 Ų | 124.5 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | -157.4 | 84.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 195 | S | 42 | Very low | 41.8 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | trans | -49.8 | 154 | -175.8 | -40.3 | 0 | 0 | 0 | 0 | 117.5 | H193 | H193-S195 PolarHBondContact CE1-OG 2.86Å; H193-S195 VanDerWaalsContact CE1-OG 3.31Å | ||
| 196 | T | 35 | Very low | 42.8 | Very low | 135 Ų | 135 | 124 Ų | 124 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | -173 | 147.8 | 109.6 | 20.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 197 | S | 33.5 | Very low | 43.9 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | 73.6 | 149.3 | 162.9 | -73.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 198 | P | 49.4 | Very low | 45.3 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | trans | -137.4 | 162.3 | -130.9 | 40.4 | -22.6 | 0 | 0 | 0 | 118.8 | ||||
| 199 | N | 48.4 | Very low | 46.2 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | trans | 60.7 | 90.9 | 149.3 | -164.5 | 24.1 | 0 | 0 | 0 | 119.8 | ||||
| 200 | A | 44.5 | Very low | 46.6 | Very low | 108 Ų | 108 | 122 Ų | 122 | 89% | 0.893 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -144.5 | 3.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 201 | G | 42.1 | Very low | 48.5 | Very low | 32 Ų | 32 | 122 Ų | 122 | 33% | 0.33 | 69% | 0.689 | S | S | . | * | trans | -107.7 | -12.6 | -172 | 0 | 0 | 0 | 0 | 0 | 116.4 | E203 L204 E205 | G201-E203 VanDerWaalsContact C-N 3.32Å; G201-E203 PolarHBondContact O-N 2.97Å; G201-E203 VanDerWaalsContact O-N 3.14Å; G201-L204 PolarHBondContact O-N 3.22Å; G201-E205 PolarHBondContact O-N 3.44Å | ||
| 202 | S | 54.5 | Low | 49.9 | Very low | 55 Ų | 55 | 121.3 Ų | 121.3 | 39% | 0.385 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -61 | -33.1 | -160.9 | -163.8 | 0 | 0 | 0 | 0 | 115.1 | Q206 | S202-Q206 WeakPolarHBondContact O-CB 3.42Å; S202-Q206 WeakPolarHBondContact O-CG 3.21Å; S202-Q206 PolarHBondContact O-N 2.89Å; S202-Q206 PolarHBondContact O-OE1 2.94Å; S202-Q206 PolarHBondContact OG-NE2 2.93Å |
| 203 | E | 52.4 | Low | 52 | Low | 170 Ų | 170 | 112.2 Ų | 112.2 | 79% | 0.794 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.2 | -32.5 | 179.7 | -168.8 | 178 | 158.2 | 0 | 0 | 112.1 | G201 | G201-E203 VanDerWaalsContact C-N 3.32Å; G201-E203 PolarHBondContact O-N 2.97Å; G201-E203 VanDerWaalsContact O-N 3.14Å |
| 204 | L | 51.1 | Low | 53.9 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.4 | -33.7 | -178.4 | -161.1 | 74.6 | 0 | 0 | 0 | 112.1 | G201 | G201-L204 PolarHBondContact O-N 3.22Å |
| 205 | E | 54.8 | Low | 56.1 | Low | 145 Ų | 145 | 110.4 Ų | 110.4 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.4 | -28.9 | 173.8 | -70.7 | -177.8 | 98.1 | 0 | 0 | 112.4 | G201 A207 R208 | G201-E205 PolarHBondContact O-N 3.44Å; E205-A207 VanDerWaalsContact C-N 3.26Å; E205-A207 PolarHBondContact O-N 2.84Å; E205-R208 PolarHBondContact O-N 3.5Å |
| 206 | Q | 55.8 | Low | 58 | Low | 149 Ų | 149 | 112 Ų | 112 | 70% | 0.696 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -15.3 | 174.6 | -76.7 | 164.7 | 2 | 0 | 0 | 114 | S202 | S202-Q206 WeakPolarHBondContact O-CB 3.42Å; S202-Q206 WeakPolarHBondContact O-CG 3.21Å; S202-Q206 PolarHBondContact O-N 2.89Å; S202-Q206 PolarHBondContact O-OE1 2.94Å; S202-Q206 PolarHBondContact OG-NE2 2.93Å |
| 207 | A | 56.4 | Low | 60.5 | Low | 63 Ų | 63 | 111.1 Ų | 111.1 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -2.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E205 | E205-A207 VanDerWaalsContact C-N 3.26Å; E205-A207 PolarHBondContact O-N 2.84Å |
| 208 | R | 59.7 | Low | 63 | Low | 195 Ų | 195 | 109.9 Ų | 109.9 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -100.9 | 116.5 | -178.8 | -173.6 | 179.4 | -172 | 124.1 | 3.6 | 109.5 | E205 Q210 | E205-R208 PolarHBondContact O-N 3.5Å; R208-Q210 PolarHBondContact O-N 3.39Å |
| 209 | P | 58.5 | Low | 64.9 | Low | 42 Ų | 42 | 108.4 Ų | 108.4 | 27% | 0.273 | 59% | 0.592 | S | S | . | * | trans | -60 | 127 | -178.6 | 23.8 | -32.9 | 0 | 0 | 0 | 110.3 | E214 E215 | P209-E214 WeakPolarHBondContact CA-OE2 3.14Å; P209-E214 HydrophobicContact CB-CB 4.14Å; P209-E214 HydrophobicContact CB-CG 3.98Å; P209-E215 HydrophobicContact CB-CB 4.02Å; P209-E215 HydrophobicContact CG-CB 3.97Å; P209-E215 HydrophobicContact CG-CG 4.21Å | ||
| 210 | Q | 63.5 | Low | 66.9 | Low | 178 Ų | 178 | 107.8 Ų | 107.8 | 83% | 0.832 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -86.5 | -12.9 | 179.6 | -72 | -152.5 | -21 | 0 | 0 | 112.7 | R208 E214 | R208-Q210 PolarHBondContact O-N 3.39Å; Q210-E214 PolarHBondContact N-OE2 3.43Å |
| 211 | T | 71.9 | Confident | 69.2 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -137.3 | 148.2 | 177.1 | 70.7 | 0 | 0 | 0 | 0 | 111.9 | G213 E214 E215 | T211-G213 PolarHBondContact O-N 2.7Å; T211-G213 VanDerWaalsContact O-N 3.11Å; T211-E214 WeakPolarHBondContact O-CB 3.17Å; T211-E214 PolarHBondContact O-N 3.44Å; T211-E214 PolarHBondContact OG1-N 2.88Å; T211-E215 PolarHBondContact O-N 3.09Å |
| 212 | S | 68.3 | Low | 71.4 | Confident | 102 Ų | 102 | 108.7 Ų | 108.7 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65 | -14.5 | 179.3 | -49.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 213 | G | 78.6 | Confident | 73.2 | Confident | 57 Ų | 57 | 111.2 Ų | 111.2 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.3 | -26.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T211 L217 | T211-G213 PolarHBondContact O-N 2.7Å; T211-G213 VanDerWaalsContact O-N 3.11Å; G213-L217 PolarHBondContact O-N 3.42Å |
| 214 | E | 81.6 | Confident | 75 | Confident | 86 Ų | 86 | 105.8 Ų | 105.8 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -76 | -38.7 | 173.3 | -176.9 | 176.8 | -148.2 | 0 | 0 | 110.9 | P209 Q210 T211 E216 L217 Q218 | P209-E214 WeakPolarHBondContact CA-OE2 3.14Å; P209-E214 HydrophobicContact CB-CB 4.14Å; P209-E214 HydrophobicContact CB-CG 3.98Å; Q210-E214 PolarHBondContact N-OE2 3.43Å; T211-E214 WeakPolarHBondContact O-CB 3.17Å; T211-E214 PolarHBondContact O-N 3.44Å; T211-E214 PolarHBondContact OG1-N 2.88Å; E214-E216 PolarHBondContact O-N 3.49Å; E214-L217 PolarHBondContact O-N 3.48Å; E214-Q218 WeakPolarHBondContact O-CB 3.39Å; E214-Q218 PolarHBondContact O-N 2.67Å |
| 215 | E | 75.7 | Confident | 76.8 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58 | -46.7 | 174.8 | -173 | 174.4 | -170.5 | 0 | 0 | 112.3 | P209 T211 Q218 L219 | P209-E215 HydrophobicContact CB-CB 4.02Å; P209-E215 HydrophobicContact CG-CB 3.97Å; P209-E215 HydrophobicContact CG-CG 4.21Å; T211-E215 PolarHBondContact O-N 3.09Å; E215-Q218 PolarHBondContact O-N 2.86Å; E215-L219 VanDerWaalsContact O-CB 3.25Å; E215-L219 WeakPolarHBondContact O-CB 3.18Å; E215-L219 PolarHBondContact O-N 3.33Å |
| 216 | E | 81.7 | Confident | 78.5 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.4 | -39.1 | 175.9 | -177.3 | 63.3 | -143.4 | 0 | 0 | 112.1 | E214 L219 Q220 | E214-E216 PolarHBondContact O-N 3.49Å; E216-L219 PolarHBondContact O-N 3.32Å; E216-Q220 VanDerWaalsContact O-CB 3.3Å; E216-Q220 WeakPolarHBondContact O-CB 3.29Å; E216-Q220 PolarHBondContact O-N 2.85Å |
| 217 | L | 87.8 | Confident | 80.2 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -41.9 | 176.6 | -179.4 | 62.7 | 0 | 0 | 0 | 111.8 | G213 E214 Q220 L221 | G213-L217 PolarHBondContact O-N 3.42Å; E214-L217 PolarHBondContact O-N 3.48Å; L217-Q220 PolarHBondContact O-N 3.35Å; L217-L221 WeakPolarHBondContact O-CB 3.04Å; L217-L221 PolarHBondContact O-N 3.24Å |
| 218 | Q | 86.8 | Confident | 81.8 | Confident | 89 Ų | 89 | 105.7 Ų | 105.7 | 42% | 0.416 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.6 | -37.4 | 177.4 | -166.2 | 176.2 | 9.7 | 0 | 0 | 111.2 | E214 E215 A222 | E214-Q218 WeakPolarHBondContact O-CB 3.39Å; E214-Q218 PolarHBondContact O-N 2.67Å; E215-Q218 PolarHBondContact O-N 2.86Å; Q218-A222 WeakPolarHBondContact O-CB 3.11Å; Q218-A222 PolarHBondContact O-N 3.2Å |
| 219 | L | 89.6 | Confident | 83.2 | Confident | 86 Ų | 86 | 99.1 Ų | 99.1 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 171.6 | 177.4 | 60.9 | 0 | 0 | 0 | 111.7 | E215 E216 L221 A222 L223 | E215-L219 VanDerWaalsContact O-CB 3.25Å; E215-L219 WeakPolarHBondContact O-CB 3.18Å; E215-L219 PolarHBondContact O-N 3.33Å; E216-L219 PolarHBondContact O-N 3.32Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 2.68Å; L219-A222 PolarHBondContact O-N 3.12Å; L219-L223 HydrophobicContact CD1-CD1 4.13Å; L219-L223 HydrophobicContact CD1-CG 4.2Å; L219-L223 HydrophobicContact CG-CD1 4.06Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 3.05Å |
| 220 | Q | 90 | Very high | 84.6 | Confident | 124 Ų | 124 | 99.8 Ų | 99.8 | 58% | 0.579 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.8 | -38.9 | 177.6 | -176.3 | 167.6 | 78.4 | 0 | 0 | 111.8 | E216 L217 A224 | E216-Q220 VanDerWaalsContact O-CB 3.3Å; E216-Q220 WeakPolarHBondContact O-CB 3.29Å; E216-Q220 PolarHBondContact O-N 2.85Å; L217-Q220 PolarHBondContact O-N 3.35Å; Q220-A224 WeakPolarHBondContact O-CB 3.27Å; Q220-A224 PolarHBondContact O-N 3.01Å |
| 221 | L | 92.8 | Very high | 85.9 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 171.7 | 178.6 | 60.8 | 0 | 0 | 0 | 111.8 | L217 L219 L223 A224 M225 | L217-L221 WeakPolarHBondContact O-CB 3.04Å; L217-L221 PolarHBondContact O-N 3.24Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 2.68Å; L221-L223 PolarHBondContact O-N 3.49Å; L221-A224 PolarHBondContact O-N 3.31Å; L221-M225 HydrophobicContact CD1-CG 4.13Å; L221-M225 HydrophobicContact CD1-SD 4.32Å; L221-M225 HydrophobicContact CG-SD 4.46Å; L221-M225 WeakPolarHBondContact O-CG 3.4Å; L221-M225 PolarHBondContact O-N 2.58Å |
| 222 | A | 88.3 | Confident | 86.6 | Confident | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q218 L219 S226 | Q218-A222 WeakPolarHBondContact O-CB 3.11Å; Q218-A222 PolarHBondContact O-N 3.2Å; L219-A222 PolarHBondContact O-N 3.12Å; A222-S226 WeakPolarHBondContact O-CB 3.45Å; A222-S226 PolarHBondContact O-N 3.49Å |
| 223 | L | 92.9 | Very high | 87.6 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -39.3 | 174.1 | -71.6 | 171.3 | 0 | 0 | 0 | 112 | L219 L221 R227 | L219-L223 HydrophobicContact CD1-CD1 4.13Å; L219-L223 HydrophobicContact CD1-CG 4.2Å; L219-L223 HydrophobicContact CG-CD1 4.06Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 3.05Å; L221-L223 PolarHBondContact O-N 3.49Å; L223-R227 VanDerWaalsContact O-CB 3.27Å; L223-R227 WeakPolarHBondContact O-CB 3.35Å; L223-R227 PolarHBondContact O-N 3.24Å |
| 224 | A | 89.1 | Confident | 88.1 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q220 L221 R227 E228 | Q220-A224 WeakPolarHBondContact O-CB 3.27Å; Q220-A224 PolarHBondContact O-N 3.01Å; L221-A224 PolarHBondContact O-N 3.31Å; A224-R227 PolarHBondContact O-N 3.39Å; A224-E228 PolarHBondContact O-N 2.96Å |
| 225 | M | 89.8 | Confident | 88.4 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.9 | -38.5 | 177.5 | -69.1 | -167.5 | 77.1 | 0 | 0 | 112.5 | L221 R227 E228 A229 | L221-M225 HydrophobicContact CD1-CG 4.13Å; L221-M225 HydrophobicContact CD1-SD 4.32Å; L221-M225 HydrophobicContact CG-SD 4.46Å; L221-M225 WeakPolarHBondContact O-CG 3.4Å; L221-M225 PolarHBondContact O-N 2.58Å; M225-R227 VanDerWaalsContact C-N 3.33Å; M225-E228 PolarHBondContact O-N 2.9Å; M225-A229 VanDerWaalsContact O-CB 3.3Å; M225-A229 WeakPolarHBondContact O-CB 3.3Å; M225-A229 PolarHBondContact O-N 2.88Å |
| 226 | S | 89.9 | Confident | 89 | Confident | 80 Ų | 80 | 101.4 Ų | 101.4 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -38 | 175 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | A222 A230 | A222-S226 WeakPolarHBondContact O-CB 3.45Å; A222-S226 PolarHBondContact O-N 3.49Å; S226-A230 WeakPolarHBondContact O-CB 3.22Å; S226-A230 PolarHBondContact O-N 2.99Å; S226-A230 VanDerWaalsContact O-N 3.08Å |
| 227 | R | 91.9 | Very high | 89.4 | Confident | 198 Ų | 198 | 103.4 Ų | 103.4 | 75% | 0.747 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.4 | -43.7 | 174.2 | -169 | -178.3 | -165.5 | -168.4 | 5 | 112.2 | L223 A224 M225 A230 E231 | L223-R227 VanDerWaalsContact O-CB 3.27Å; L223-R227 WeakPolarHBondContact O-CB 3.35Å; L223-R227 PolarHBondContact O-N 3.24Å; A224-R227 PolarHBondContact O-N 3.39Å; M225-R227 VanDerWaalsContact C-N 3.33Å; R227-A230 PolarHBondContact O-N 3.34Å; R227-E231 PolarHBondContact O-N 3.25Å |
| 228 | E | 90.3 | Very high | 89.5 | Confident | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176.2 | -171.4 | -176 | 170 | 0 | 0 | 111.2 | A224 M225 A230 E231 Q232 | A224-E228 PolarHBondContact O-N 2.96Å; M225-E228 PolarHBondContact O-N 2.9Å; E228-A230 VanDerWaalsContact C-N 3.3Å; E228-A230 PolarHBondContact O-N 2.85Å; E228-E231 PolarHBondContact O-N 2.9Å; E228-E231 VanDerWaalsContact O-N 3.14Å; E228-Q232 HydrophobicContact CG-CG 4.39Å; E228-Q232 WeakPolarHBondContact O-CG 3.36Å; E228-Q232 PolarHBondContact O-N 3.34Å; E228-Q232 PolarHBondContact OE1-NE2 3.41Å |
| 229 | A | 87.6 | Confident | 89.7 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M225 Q232 E233 | M225-A229 VanDerWaalsContact O-CB 3.3Å; M225-A229 WeakPolarHBondContact O-CB 3.3Å; M225-A229 PolarHBondContact O-N 2.88Å; A229-Q232 PolarHBondContact O-N 2.87Å; A229-E233 PolarHBondContact O-N 3.19Å |
| 230 | A | 88.8 | Confident | 89.8 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S226 R227 E228 Q232 E233 E234 | S226-A230 WeakPolarHBondContact O-CB 3.22Å; S226-A230 PolarHBondContact O-N 2.99Å; S226-A230 VanDerWaalsContact O-N 3.08Å; R227-A230 PolarHBondContact O-N 3.34Å; E228-A230 VanDerWaalsContact C-N 3.3Å; E228-A230 PolarHBondContact O-N 2.85Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 3.38Å; A230-E233 PolarHBondContact O-N 3.39Å; A230-E234 WeakPolarHBondContact O-CB 3.32Å; A230-E234 PolarHBondContact O-N 3.23Å |
| 231 | E | 90.6 | Very high | 89.9 | Confident | 90 Ų | 90 | 102.6 Ų | 102.6 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -33.2 | 175.9 | -162.3 | -175.4 | 136.3 | 0 | 0 | 112 | R227 E228 R235 | R227-E231 PolarHBondContact O-N 3.25Å; E228-E231 PolarHBondContact O-N 2.9Å; E228-E231 VanDerWaalsContact O-N 3.14Å; E231-R235 WeakPolarHBondContact O-CB 3.38Å; E231-R235 WeakPolarHBondContact O-CG 3.46Å; E231-R235 PolarHBondContact O-N 2.9Å; E231-R235 IonicContact OE1-CZ 3.26Å; E231-R235 IonicContact OE1-NH1 2.75Å; E231-R235 PolarHBondContact OE1-NH1 3.48Å; E231-R235 IonicContact OE1-NH2 2.9Å; E231-R235 PolarHBondContact OE1-NH2 2.94Å |
| 232 | Q | 87.8 | Confident | 89.9 | Confident | 100 Ų | 100 | 103 Ų | 103 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 172.4 | -70 | -169.5 | 26.9 | 0 | 0 | 111.8 | E228 A229 A230 E234 R235 L236 | E228-Q232 HydrophobicContact CG-CG 4.39Å; E228-Q232 WeakPolarHBondContact O-CG 3.36Å; E228-Q232 PolarHBondContact O-N 3.34Å; E228-Q232 PolarHBondContact OE1-NE2 3.41Å; A229-Q232 PolarHBondContact O-N 2.87Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 3.38Å; Q232-E234 VanDerWaalsContact C-N 3.35Å; Q232-E234 PolarHBondContact O-N 3.2Å; Q232-R235 PolarHBondContact O-N 2.93Å; Q232-L236 WeakPolarHBondContact O-CD1 3.45Å; Q232-L236 PolarHBondContact O-N 3.09Å |
| 233 | E | 88.7 | Confident | 90 | Very high | 104 Ų | 104 | 109.2 Ų | 109.2 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 174.1 | -166.9 | -176.1 | 163.3 | 0 | 0 | 111.6 | A229 A230 L236 R237 | A229-E233 PolarHBondContact O-N 3.19Å; A230-E233 PolarHBondContact O-N 3.39Å; E233-L236 PolarHBondContact O-N 3.16Å; E233-R237 PolarHBondContact O-N 3.25Å; E233-R237 IonicContact OE1-CZ 2.87Å; E233-R237 IonicContact OE1-NH1 2.75Å; E233-R237 PolarHBondContact OE1-NH1 2.9Å; E233-R237 IonicContact OE1-NH2 3.97Å; E233-R237 PolarHBondContact OE1-NH2 2.75Å |
| 234 | E | 88.2 | Confident | 89.9 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 174.5 | -158.9 | -169.9 | 156 | 0 | 0 | 112 | A230 Q232 R238 | A230-E234 WeakPolarHBondContact O-CB 3.32Å; A230-E234 PolarHBondContact O-N 3.23Å; Q232-E234 VanDerWaalsContact C-N 3.35Å; Q232-E234 PolarHBondContact O-N 3.2Å; E234-R238 VanDerWaalsContact CD-NH1 3.27Å; E234-R238 PolarHBondContact O-N 3.44Å; E234-R238 IonicContact OE1-CZ 2.66Å; E234-R238 IonicContact OE1-NH1 2.95Å; E234-R238 PolarHBondContact OE1-NH1 3.05Å; E234-R238 IonicContact OE1-NH2 3.21Å; E234-R238 PolarHBondContact OE1-NH2 3.31Å |
| 235 | R | 88.4 | Confident | 89.9 | Confident | 153 Ų | 153 | 111.5 Ų | 111.5 | 58% | 0.577 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 170.5 | -83.1 | -164.3 | -178.7 | 83.8 | 12.4 | 112.4 | E231 Q232 R238 G239 | E231-R235 WeakPolarHBondContact O-CB 3.38Å; E231-R235 WeakPolarHBondContact O-CG 3.46Å; E231-R235 PolarHBondContact O-N 2.9Å; E231-R235 IonicContact OE1-CZ 3.26Å; E231-R235 IonicContact OE1-NH1 2.75Å; E231-R235 PolarHBondContact OE1-NH1 3.48Å; E231-R235 IonicContact OE1-NH2 2.9Å; E231-R235 PolarHBondContact OE1-NH2 2.94Å; Q232-R235 PolarHBondContact O-N 2.93Å; R235-R238 PolarHBondContact O-N 3.4Å; R235-G239 PolarHBondContact O-N 3.22Å |
| 236 | L | 88.5 | Confident | 89.8 | Confident | 114 Ų | 114 | 112 Ų | 112 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.8 | -48.2 | 174.2 | -96.1 | 93.5 | 0 | 0 | 0 | 110.8 | Q232 E233 R238 G239 D240 | Q232-L236 WeakPolarHBondContact O-CD1 3.45Å; Q232-L236 PolarHBondContact O-N 3.09Å; E233-L236 PolarHBondContact O-N 3.16Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 3.22Å; L236-G239 CarbonylContact O-C 3.59Å; L236-G239 WeakPolarHBondContact O-CA 3.3Å; L236-G239 PolarHBondContact O-N 3.48Å; L236-D240 PolarHBondContact O-N 2.64Å |
| 237 | R | 89.9 | Confident | 89.7 | Confident | 158 Ų | 158 | 110.5 Ų | 110.5 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.4 | -41.3 | 176.7 | -79.9 | -155.1 | 177.3 | 80.9 | 14.8 | 113 | E233 G239 D240 D241 | E233-R237 PolarHBondContact O-N 3.25Å; E233-R237 IonicContact OE1-CZ 2.87Å; E233-R237 IonicContact OE1-NH1 2.75Å; E233-R237 PolarHBondContact OE1-NH1 2.9Å; E233-R237 IonicContact OE1-NH2 3.97Å; E233-R237 PolarHBondContact OE1-NH2 2.75Å; R237-G239 VanDerWaalsContact C-N 3.34Å; R237-D240 PolarHBondContact O-N 3.46Å; R237-D241 WeakPolarHBondContact O-CB 3.49Å; R237-D241 PolarHBondContact O-N 2.73Å |
| 238 | R | 89.3 | Confident | 89.4 | Confident | 155 Ų | 155 | 106.3 Ų | 106.3 | 59% | 0.585 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -34.7 | 172.7 | -77.4 | -162.9 | -178.1 | 86 | 9.8 | 113 | E234 R235 L236 L242 | E234-R238 VanDerWaalsContact CD-NH1 3.27Å; E234-R238 PolarHBondContact O-N 3.44Å; E234-R238 IonicContact OE1-CZ 2.66Å; E234-R238 IonicContact OE1-NH1 2.95Å; E234-R238 PolarHBondContact OE1-NH1 3.05Å; E234-R238 IonicContact OE1-NH2 3.21Å; E234-R238 PolarHBondContact OE1-NH2 3.31Å; R235-R238 PolarHBondContact O-N 3.4Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 3.22Å; R238-L242 WeakPolarHBondContact O-CB 3.29Å; R238-L242 PolarHBondContact O-N 3.48Å |
| 239 | G | 92.4 | Very high | 89.2 | Confident | 39 Ų | 39 | 105.9 Ų | 105.9 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R235 L236 R237 R243 | R235-G239 PolarHBondContact O-N 3.22Å; L236-G239 CarbonylContact O-C 3.59Å; L236-G239 WeakPolarHBondContact O-CA 3.3Å; L236-G239 PolarHBondContact O-N 3.48Å; R237-G239 VanDerWaalsContact C-N 3.34Å; G239-R243 VanDerWaalsContact O-CB 3.22Å; G239-R243 WeakPolarHBondContact O-CB 3.37Å; G239-R243 PolarHBondContact O-N 3.08Å |
| 240 | D | 90.7 | Very high | 88.9 | Confident | 101 Ų | 101 | 109 Ų | 109 | 54% | 0.54 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 177.5 | -71.7 | -28.6 | 0 | 0 | 0 | 112.2 | L236 R237 R243 L244 | L236-D240 PolarHBondContact O-N 2.64Å; R237-D240 PolarHBondContact O-N 3.46Å; D240-R243 PolarHBondContact O-N 3.48Å; D240-L244 VanDerWaalsContact O-CB 3.32Å; D240-L244 WeakPolarHBondContact O-CB 3.39Å; D240-L244 PolarHBondContact O-N 2.88Å |
| 241 | D | 92.1 | Very high | 88.4 | Confident | 103 Ų | 103 | 110.4 Ų | 110.4 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 174.9 | -170.7 | 52.5 | 0 | 0 | 0 | 111.7 | R237 R243 L244 Q245 | R237-D241 WeakPolarHBondContact O-CB 3.49Å; R237-D241 PolarHBondContact O-N 2.73Å; D241-R243 VanDerWaalsContact C-N 3.34Å; D241-R243 PolarHBondContact O-N 3.38Å; D241-L244 PolarHBondContact O-N 3.04Å; D241-Q245 WeakPolarHBondContact O-CB 3.44Å; D241-Q245 PolarHBondContact O-N 2.76Å |
| 242 | L | 92.8 | Very high | 87.9 | Confident | 113 Ų | 113 | 114.3 Ų | 114.3 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -38 | 173 | -177.8 | 64.8 | 0 | 0 | 0 | 111.9 | R238 Q245 M246 | R238-L242 WeakPolarHBondContact O-CB 3.29Å; R238-L242 PolarHBondContact O-N 3.48Å; L242-Q245 PolarHBondContact O-N 3.01Å; L242-M246 WeakPolarHBondContact O-CB 3.43Å; L242-M246 PolarHBondContact O-N 3.21Å |
| 243 | R | 89.6 | Confident | 87.1 | Confident | 186 Ų | 186 | 116.7 Ų | 116.7 | 70% | 0.702 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | 175.2 | -177.3 | -176.8 | -179.5 | 88.6 | 6.3 | 111.5 | G239 D240 D241 M246 A247 | G239-R243 VanDerWaalsContact O-CB 3.22Å; G239-R243 WeakPolarHBondContact O-CB 3.37Å; G239-R243 PolarHBondContact O-N 3.08Å; D240-R243 PolarHBondContact O-N 3.48Å; D241-R243 VanDerWaalsContact C-N 3.34Å; D241-R243 PolarHBondContact O-N 3.38Å; R243-M246 PolarHBondContact O-N 3.02Å; R243-A247 PolarHBondContact O-N 3.1Å; R243-A247 VanDerWaalsContact O-N 3.09Å |
| 244 | L | 91.6 | Very high | 85.7 | Confident | 98 Ų | 98 | 119.9 Ų | 119.9 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.3 | -45 | 173.8 | 177.1 | 61.5 | 0 | 0 | 0 | 111.1 | D240 D241 M246 A247 L248 | D240-L244 VanDerWaalsContact O-CB 3.32Å; D240-L244 WeakPolarHBondContact O-CB 3.39Å; D240-L244 PolarHBondContact O-N 2.88Å; D241-L244 PolarHBondContact O-N 3.04Å; L244-M246 VanDerWaalsContact C-N 3.32Å; L244-M246 PolarHBondContact O-N 2.71Å; L244-A247 PolarHBondContact O-N 2.85Å; L244-L248 HydrophobicContact CD1-CD1 4.17Å; L244-L248 HydrophobicContact CD1-CG 4.28Å; L244-L248 HydrophobicContact CG-CD1 3.99Å; L244-L248 WeakPolarHBondContact O-CB 3.35Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.46Å |
| 245 | Q | 90 | Very high | 84.3 | Confident | 113 Ų | 113 | 121.1 Ų | 121.1 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.9 | -43 | 175.1 | -174.7 | -179 | 3.8 | 0 | 0 | 111.4 | D241 L242 L248 E249 | D241-Q245 WeakPolarHBondContact O-CB 3.44Å; D241-Q245 PolarHBondContact O-N 2.76Å; L242-Q245 PolarHBondContact O-N 3.01Å; Q245-L248 PolarHBondContact O-N 2.92Å; Q245-E249 PolarHBondContact O-N 2.67Å |
| 246 | M | 87.4 | Confident | 82.6 | Confident | 128 Ų | 128 | 119.8 Ų | 119.8 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.7 | -43.5 | 177.6 | -162.6 | -179.4 | 83.2 | 0 | 0 | 111.7 | L242 R243 L244 L248 E249 E250 | L242-M246 WeakPolarHBondContact O-CB 3.43Å; L242-M246 PolarHBondContact O-N 3.21Å; R243-M246 PolarHBondContact O-N 3.02Å; L244-M246 VanDerWaalsContact C-N 3.32Å; L244-M246 PolarHBondContact O-N 2.71Å; M246-L248 VanDerWaalsContact C-N 3.34Å; M246-L248 PolarHBondContact O-N 3.44Å; M246-E249 PolarHBondContact O-N 2.92Å; M246-E250 WeakPolarHBondContact O-CB 3.33Å; M246-E250 PolarHBondContact O-N 2.93Å |
| 247 | A | 86.4 | Confident | 80.3 | Confident | 50 Ų | 50 | 117.6 Ų | 117.6 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.7 | -34.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R243 L244 S251 | R243-A247 PolarHBondContact O-N 3.1Å; R243-A247 VanDerWaalsContact O-N 3.09Å; L244-A247 PolarHBondContact O-N 2.85Å; A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.38Å; A247-S251 PolarHBondContact O-N 3.34Å |
| 248 | L | 85.9 | Confident | 78 | Confident | 109 Ų | 109 | 116.1 Ų | 116.1 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.2 | -34.6 | 174 | -72.2 | 169.8 | 0 | 0 | 0 | 112.3 | L244 Q245 M246 K252 | L244-L248 HydrophobicContact CD1-CD1 4.17Å; L244-L248 HydrophobicContact CD1-CG 4.28Å; L244-L248 HydrophobicContact CG-CD1 3.99Å; L244-L248 WeakPolarHBondContact O-CB 3.35Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.46Å; Q245-L248 PolarHBondContact O-N 2.92Å; M246-L248 VanDerWaalsContact C-N 3.34Å; M246-L248 PolarHBondContact O-N 3.44Å; L248-K252 WeakPolarHBondContact O-CB 3.31Å; L248-K252 PolarHBondContact O-N 3.09Å; L248-K252 VanDerWaalsContact O-N 3.1Å |
| 249 | E | 85.8 | Confident | 75.8 | Confident | 100 Ų | 100 | 113.2 Ų | 113.2 | 47% | 0.467 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.6 | -38.7 | 173.6 | -161.5 | -169.4 | 134 | 0 | 0 | 111.8 | Q245 M246 K252 K253 | Q245-E249 PolarHBondContact O-N 2.67Å; M246-E249 PolarHBondContact O-N 2.92Å; E249-K252 CarbonylContact O-C 3.59Å; E249-K252 PolarHBondContact O-N 2.8Å; E249-K253 PolarHBondContact O-N 3.29Å; E249-K253 WeakPolarHBondContact OE1-CE 3.41Å; E249-K253 IonicContact OE1-NZ 2.61Å; E249-K253 PolarHBondContact OE1-NZ 2.83Å |
| 250 | E | 81.2 | Confident | 73.2 | Confident | 124 Ų | 124 | 121.4 Ų | 121.4 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -59.8 | -54.1 | 173.1 | -174.7 | 166.6 | -139.2 | 0 | 0 | 110.5 | M246 K252 K253 E254 | M246-E250 WeakPolarHBondContact O-CB 3.33Å; M246-E250 PolarHBondContact O-N 2.93Å; E250-K252 PolarHBondContact O-N 3.46Å; E250-K252 VanDerWaalsContact O-N 3.14Å; E250-K253 PolarHBondContact O-N 3.3Å; E250-E254 PolarHBondContact O-N 2.89Å |
| 251 | S | 79.1 | Confident | 70.7 | Confident | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -57.9 | -28.9 | 174.6 | 176.4 | 0 | 0 | 0 | 0 | 113.6 | A247 | A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.38Å; A247-S251 PolarHBondContact O-N 3.34Å |
| 252 | K | 80.6 | Confident | 68.4 | Low | 172 Ų | 172 | 124.5 Ų | 124.5 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -86 | -11.2 | 177 | -170.1 | 172 | 179.6 | -179.1 | 0 | 113.7 | L248 E249 E250 | L248-K252 WeakPolarHBondContact O-CB 3.31Å; L248-K252 PolarHBondContact O-N 3.09Å; L248-K252 VanDerWaalsContact O-N 3.1Å; E249-K252 CarbonylContact O-C 3.59Å; E249-K252 PolarHBondContact O-N 2.8Å; E250-K252 PolarHBondContact O-N 3.46Å; E250-K252 VanDerWaalsContact O-N 3.14Å |
| 253 | K | 69.8 | Low | 65.9 | Low | 150 Ų | 150 | 128 Ų | 128 | 65% | 0.652 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -89.1 | -18.8 | 171 | -88.4 | 166.8 | 170.4 | 162.3 | 0 | 113 | E249 E250 D255 | E249-K253 PolarHBondContact O-N 3.29Å; E249-K253 WeakPolarHBondContact OE1-CE 3.41Å; E249-K253 IonicContact OE1-NZ 2.61Å; E249-K253 PolarHBondContact OE1-NZ 2.83Å; E250-K253 PolarHBondContact O-N 3.3Å; K253-D255 VanDerWaalsContact C-N 3.35Å |
| 254 | E | 59.2 | Low | 63.4 | Low | 172 Ų | 172 | 128.6 Ų | 128.6 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -79.5 | -7.8 | 178.7 | -65.4 | -154.4 | 128.5 | 0 | 0 | 115 | E250 | E250-E254 PolarHBondContact O-N 2.89Š|
| 255 | D | 59.8 | Low | 60.7 | Low | 122 Ų | 122 | 132.8 Ų | 132.8 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | trans | -140 | 117 | 165.6 | -163.9 | 27.9 | 0 | 0 | 0 | 109.2 | K253 G257 | K253-D255 VanDerWaalsContact C-N 3.35Å; D255-G257 PolarHBondContact OD1-N 3.48Å | ||
| 256 | P | 51.7 | Low | 57.9 | Low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | S | Bend | -135.2 | 127.7 | 83.5 | 35.5 | -22.2 | 0 | 0 | 0 | 115.3 | |||
| 257 | G | 40.9 | Very low | 55.5 | Low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 107.9 | 113.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | D255 | D255-G257 PolarHBondContact OD1-N 3.48Š| ||
| 258 | S | 42 | Very low | 53.6 | Low | 128 Ų | 128 | 142.4 Ų | 142.4 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | trans | -83.9 | 128.8 | 173.5 | 56 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 259 | A | 42.7 | Very low | 51.2 | Low | 94 Ų | 94 | 146.3 Ų | 146.3 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -153.1 | 119.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 260 | K | 38.6 | Very low | 49.3 | Very low | 210 Ų | 210 | 147.3 Ų | 147.3 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | 67.4 | 96.7 | 163 | -63.4 | 175.1 | 179.5 | 171.9 | 0 | 118.8 | ||||
| 261 | L | 37.7 | Very low | 47.4 | Very low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -27.2 | 147.7 | 144.7 | -85.6 | 162.8 | 0 | 0 | 0 | 115.1 | ||||
| 262 | P | 43.3 | Very low | 45.7 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | -150.6 | 137.2 | 67.8 | 37.6 | -17.1 | 0 | 0 | 0 | 120.7 | |||||
| 263 | K | 40 | Very low | 44.6 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 67.8 | 133.2 | 139.5 | -64.2 | 176.1 | 178.4 | 175.1 | 0 | 121.8 | ||||
| 264 | K | 37.4 | Very low | 43.7 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | 68.7 | 125.5 | 155.5 | -90.6 | 178 | 175 | 177.5 | 0 | 115.9 | ||||
| 265 | K | 34.4 | Very low | 42.9 | Very low | 186 Ų | 186 | 150 Ų | 150 | 81% | 0.809 | 82% | 0.815 | S | S | * | * | cis | -156.6 | 163.9 | 26.6 | -67.2 | 174.8 | 174.5 | 166.3 | 0 | 112.8 | ||||
| 266 | K | 32.5 | Very low | 42.3 | Very low | 198 Ų | 198 | 153.5 Ų | 153.5 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | 72.7 | 137.9 | 152.7 | -88.9 | -165.5 | 167.7 | -164.4 | 0 | 120.5 | ||||
| 267 | E | 35.9 | Very low | 41.4 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -78.8 | -178.5 | 177.9 | -58.3 | 146.6 | 99.9 | 0 | 0 | 113.6 | ||||
| 268 | P | 46.6 | Very low | 41.4 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | cis | -123.3 | 170.2 | -11.6 | 14.9 | 9.2 | 0 | 0 | 0 | 114 | ||||
| 269 | Q | 36.7 | Very low | 41.5 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -97.9 | 158.9 | 167.2 | -68.6 | -169 | -66.3 | 0 | 0 | 112.3 | ||||
| 270 | S | 45.7 | Very low | 41 | Very low | 121 Ų | 121 | 160 Ų | 160 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -75 | 130 | 160.4 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 271 | S | 40.3 | Very low | 41.3 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -131.5 | 130.1 | 160.3 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 272 | L | 45.2 | Very low | 40.9 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -130.2 | 16.3 | -178 | -138.9 | 171.9 | 0 | 0 | 0 | 111.4 | ||||
| 273 | M | 55.7 | Low | 41 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -141.5 | 56.2 | -175.9 | -72.9 | 89.3 | -170.3 | 0 | 0 | 112.4 | ||
| 274 | D | 52.4 | Low | 40.6 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -156.7 | 82 | 155.5 | -170.8 | 20.1 | 0 | 0 | 0 | 111.7 | ||||
| 275 | L | 41.1 | Very low | 40.4 | Very low | 158 Ų | 158 | 148 Ų | 148 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -164.4 | 47.6 | 168.4 | -120.2 | 157.5 | 0 | 0 | 0 | 114.1 | N277 | L275-N277 VanDerWaalsContact C-N 3.33Å; L275-N277 PolarHBondContact O-N 3.42Å | ||
| 276 | M | 48.2 | Very low | 40.6 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -93 | 64.5 | 162.4 | -169.4 | -178.5 | -78.1 | 0 | 0 | 110.1 | ||||
| 277 | N | 31.9 | Very low | 40.7 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -152.4 | 135.3 | 167.1 | -164.7 | 20.7 | 0 | 0 | 0 | 111.6 | L275 | L275-N277 VanDerWaalsContact C-N 3.33Å; L275-N277 PolarHBondContact O-N 3.42Å | ||
| 278 | V | 40.7 | Very low | 40.8 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -146.9 | 122 | -177.3 | 168.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 279 | P | 45 | Very low | 40 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | -151.7 | 163.8 | 99.4 | 39.1 | -21.4 | 0 | 0 | 0 | 118.2 | |||||
| 280 | E | 32.6 | Very low | 39.7 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 74 | 145.9 | 152.8 | -74 | -94.5 | 85.6 | 0 | 0 | 120.9 | ||||
| 281 | P | 44.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -114.2 | 155.7 | -169.1 | 41.2 | -31.3 | 0 | 0 | 0 | 115.8 | ||||
| 282 | G | 29.5 | Very low | 38.6 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -136.6 | 135.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 283 | P | 44.2 | Very low | 37.9 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -95.7 | 166.9 | -169.2 | 36.9 | -37.2 | 0 | 0 | 0 | 115.2 | ||||
| 284 | K | 32.8 | Very low | 36.7 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | 114.5 | 144.2 | 173.8 | -67.3 | 155 | -169.3 | 170.3 | 0 | 112.1 | ||||
| 285 | S | 33.2 | Very low | 35.6 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | -169.6 | 155.9 | -15.6 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 286 | D | 38.3 | Very low | 35.2 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -59.6 | 141.6 | 179.1 | -81.6 | -54.5 | 0 | 0 | 0 | 114.5 | ||||
| 287 | P | 34.8 | Very low | 34.3 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 61% | 0.61 | 81% | 0.806 | S | S | * | * | trans | -82.9 | 172 | 157.9 | 34.8 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 288 | W | 37.4 | Very low | 34.2 | Very low | 256 Ų | 256 | 126.8 Ų | 126.8 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | trans | 76.2 | 50.6 | 175.3 | -49.4 | 109.4 | 0 | 0 | 0 | 117.7 | ||||
| 289 | G | 29.5 | Very low | 33.6 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -111.3 | 122.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 290 | M | 31.3 | Very low | 32.9 | Very low | 189 Ų | 189 | 125.1 Ų | 125.1 | 93% | 0.931 | 82% | 0.817 | S | S | * | * | trans | -158.2 | 132.8 | 160.2 | -171.3 | 54.5 | 66.1 | 0 | 0 | 111.9 | ||||
| 291 | G | 31.6 | Very low | 33 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 83.8 | 112.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 292 | G | 31.5 | Very low | 32.4 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | cis | 148 | 128.5 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 293 | G | 29.5 | Very low | 32.6 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | 150.8 | 131 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 294 | A | 30.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | trans | -92 | 160.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 295 | G | 30.1 | Very low | 32.5 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | cis | 161.7 | -171.4 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 296 | A | 30.9 | Very low | 32.9 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | 69.6 | 104.6 | 169 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 297 | R | 29.1 | Very low | 33 | Very low | 247 Ų | 247 | 123 Ų | 123 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | trans | 62.4 | 138.5 | 133.4 | -76.1 | 177.5 | 166.7 | -178.1 | -6 | 119.9 | ||||
| 298 | A | 30.2 | Very low | 33.5 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | cis | -155.5 | 164.8 | 3.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 299 | A | 29.7 | Very low | 33.4 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | 29.1 | 138.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 300 | A | 29.4 | Very low | 33.5 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | cis | -170.3 | -169.5 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 301 | A | 33.7 | Very low | 33.5 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 77.6 | 92.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 302 | S | 33.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | 18.5 | 130.7 | 127 | 57.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 303 | G | 33.9 | Very low | 34.4 | Very low | 78 Ų | 78 | 122.1 Ų | 122.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -170.6 | 119.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 304 | D | 35.8 | Very low | 34.7 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 141.7 | -177.7 | -168.6 | 51.3 | 0 | 0 | 0 | 111.7 | W306 | D304-W306 PolarHBondContact O-N 2.88Š| ||
| 305 | P | 38.4 | Very low | 35.1 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | trans | -99.7 | 51.3 | -159.2 | 39.8 | -36 | 0 | 0 | 0 | 114.8 | ||||
| 306 | W | 40.7 | Very low | 35.2 | Very low | 222 Ų | 222 | 129.9 Ų | 129.9 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -127.1 | 117.2 | 174.9 | -71.3 | 98.6 | 0 | 0 | 0 | 113.9 | D304 | D304-W306 PolarHBondContact O-N 2.88Š| ||
| 307 | Q | 41.3 | Very low | 35.7 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | trans | -80.7 | 161.1 | 175.2 | -69.5 | -71.2 | -28.5 | 0 | 0 | 111.5 | ||||
| 308 | P | 44.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -143.9 | 122.3 | 100.5 | 34.3 | -18.4 | 0 | 0 | 0 | 115.1 | |||||
| 309 | Y | 35.2 | Very low | 36.9 | Very low | 214 Ų | 214 | 127.4 Ų | 127.4 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -82.8 | 159.3 | 156.2 | -86.1 | -80.9 | 0 | 0 | 0 | 111 | ||||
| 310 | G | 31.9 | Very low | 37.5 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -120.8 | -175.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 311 | S | 32.2 | Very low | 38.4 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 73.8 | 103.2 | 159.6 | -59 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 312 | A | 39.2 | Very low | 39.1 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 72.3 | 163.3 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 313 | P | 43 | Very low | 39.2 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | -125.2 | -172.2 | 9.4 | 41.5 | -25.1 | 0 | 0 | 0 | 116.6 | ||||
| 314 | R | 34.8 | Very low | 39.7 | Very low | 216 Ų | 216 | 135.7 Ų | 135.7 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -88.7 | 172.3 | 177.2 | -57.6 | -175.2 | 178 | -165.3 | 2 | 112.5 | ||||
| 315 | P | 40.3 | Very low | 39.9 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | -140 | 156.5 | 92.6 | 39 | -27.7 | 0 | 0 | 0 | 115.3 | |||||
| 316 | S | 31.8 | Very low | 39.8 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | trans | -168.8 | 131.8 | 170 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 317 | V | 41.3 | Very low | 39.6 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -154 | 119.3 | 153.5 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 318 | P | 42 | Very low | 39.5 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | -122.4 | 177.4 | 127.2 | 38 | -32.1 | 0 | 0 | 0 | 110.6 | |||||
| 319 | P | 41.5 | Very low | 39.4 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -85.1 | 168.4 | -148.5 | 33.1 | -36.9 | 0 | 0 | 0 | 117.8 | ||||
| 320 | D | 43.6 | Very low | 39.5 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | -80.8 | 134.2 | -175 | -174.4 | -17.3 | 0 | 0 | 0 | 113.4 | W322 | D320-W322 PolarHBondContact OD1-N 3.05Š| ||
| 321 | P | 46.9 | Very low | 39.5 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -83.2 | 0.9 | 177.4 | 32.6 | -34.5 | 0 | 0 | 0 | 116.8 | A323 | P321-A323 PolarHBondContact O-N 3.27Š|
| 322 | W | 49.3 | Very low | 39.5 | Very low | 233 Ų | 233 | 135.5 Ų | 135.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -92.4 | 23.2 | -173.8 | -83.5 | 72.6 | 0 | 0 | 0 | 116.8 | D320 A324 | D320-W322 PolarHBondContact OD1-N 3.05Å; W322-A324 PolarHBondContact O-N 2.98Å | ||
| 323 | A | 36.4 | Very low | 39.3 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 120.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | P321 | P321-A323 PolarHBondContact O-N 3.27Š|
| 324 | A | 43.5 | Very low | 38.9 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 130.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | W322 | W322-A324 PolarHBondContact O-N 2.98Š|
| 325 | P | 39.8 | Very low | 39 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 118.8 | 169.7 | 33.2 | -29.6 | 0 | 0 | 0 | 111.1 | ||
| 326 | A | 36.7 | Very low | 39.1 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -99.2 | 111.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 327 | T | 36.1 | Very low | 39.9 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -172.9 | 132.4 | 153.8 | 10.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 328 | L | 39.3 | Very low | 39.4 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -120.3 | 153.5 | 163.2 | -73 | 175.8 | 0 | 0 | 0 | 108.2 | ||||
| 329 | P | 41.8 | Very low | 39.3 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | -111.6 | 152.5 | 123 | 32.7 | -33.5 | 0 | 0 | 0 | 111 | |||||
| 330 | A | 37.7 | Very low | 38.9 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -96.8 | 146.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 331 | M | 32.5 | Very low | 38.6 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | trans | -148.6 | 146.6 | 153.9 | 50.8 | -175.2 | 172.8 | 0 | 0 | 112.7 | ||||
| 332 | K | 32.5 | Very low | 38.4 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -40.4 | 123.6 | -164.8 | -73.4 | 173 | 170.5 | 178.5 | 0 | 119.2 | ||||
| 333 | A | 35.3 | Very low | 37.6 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | 42.3 | 118.6 | 112.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 334 | S | 33.8 | Very low | 37.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | -167.9 | 124 | 118.9 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 335 | D | 37.7 | Very low | 37.3 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 83% | 0.83 | S | S | * | * | trans | -123 | 124.2 | 175.8 | -167.8 | 6 | 0 | 0 | 0 | 108.6 | W337 | D335-W337 PolarHBondContact O-N 2.82Š| ||
| 336 | P | 42.3 | Very low | 37.4 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | trans | -91.9 | 17.3 | -161.4 | 34.7 | -35.7 | 0 | 0 | 0 | 116 | ||||
| 337 | W | 48 | Very low | 37.7 | Very low | 230 Ų | 230 | 139.9 Ų | 139.9 | 87% | 0.871 | 83% | 0.83 | S | S | * | * | trans | -120.6 | 100.5 | -178 | -72.9 | 80.7 | 0 | 0 | 0 | 113.4 | D335 | D335-W337 PolarHBondContact O-N 2.82Š| ||
| 338 | A | 30.3 | Very low | 37.5 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -145.4 | 130.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 339 | D | 39.8 | Very low | 37.2 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -66.8 | 151.8 | -170.8 | -70.2 | -84 | 0 | 0 | 0 | 115.4 | ||||
| 340 | S | 33.8 | Very low | 36.8 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | -172.9 | 135.5 | 118.5 | 29.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 341 | A | 37.4 | Very low | 36.6 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | 73.8 | 150.5 | 153 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 342 | P | 41.6 | Very low | 36.5 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -103.8 | 161.2 | -166.3 | 40 | -35.3 | 0 | 0 | 0 | 115.3 | ||||
| 343 | A | 33.8 | Very low | 36.5 | Very low | 107 Ų | 107 | 128 Ų | 128 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | trans | -119.2 | 155.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 344 | S | 36.9 | Very low | 36.5 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -93.1 | 147.6 | -161.2 | 52.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 345 | D | 36.6 | Very low | 36.4 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -66 | 129.6 | 171.4 | 178.7 | 11.6 | 0 | 0 | 0 | 112.5 | ||||
| 346 | P | 42.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -85.4 | 3.9 | -172.6 | 30.5 | -33.2 | 0 | 0 | 0 | 117.2 | ||
| 347 | W | 42 | Very low | 35.6 | Very low | 220 Ų | 220 | 130.1 Ų | 130.1 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -105.6 | 27.3 | -172.7 | -77.3 | 82.4 | 0 | 0 | 0 | 116.9 | S349 | W347-S349 PolarHBondContact O-N 3.16Š| ||
| 348 | G | 31.2 | Very low | 34.8 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -79.5 | 89.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 349 | S | 33.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -81.7 | 115.5 | 172.6 | -76 | 0 | 0 | 0 | 0 | 113 | W347 | W347-S349 PolarHBondContact O-N 3.16Š| ||
| 350 | G | 32.5 | Very low | 34.4 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -148.9 | 99.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 351 | A | 35.3 | Very low | 34.2 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | 36.5 | 107.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 352 | G | 30.5 | Very low | 33.8 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -139.4 | 117.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 353 | R | 32.6 | Very low | 33.7 | Very low | 204 Ų | 204 | 128.5 Ų | 128.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -120 | 134.2 | -173.7 | -175.5 | -154.8 | -166.5 | 170.4 | 18.3 | 111.9 | ||||
| 354 | P | 34.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -112.7 | 172.6 | 144.9 | 4.3 | 16.9 | 0 | 0 | 0 | 112.4 | ||||
| 355 | K | 31.6 | Very low | 33.5 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 68% | 0.683 | 79% | 0.785 | S | S | * | * | trans | -140.4 | 173.2 | -175.9 | -153.3 | -174.1 | -178.2 | -167.7 | 0 | 108.9 | ||||
| 356 | T | 31.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 79.3 | 145.9 | -178.9 | 75.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 357 | S | 31.6 | Very low | 32.8 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | -169.2 | 133.7 | -21.7 | 47.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 358 | N | 31 | Very low | 32.4 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 71.8 | 149.8 | 140.9 | -150.3 | 63.4 | 0 | 0 | 0 | 123 | ||||
| 359 | T | 30.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 97.1 | 124.4 | 149.7 | -15.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 360 | G | 31.5 | Very low | 32.3 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 98 | 114.1 | 163 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 361 | N | 30.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | 62.6 | 137.9 | 55 | -75.4 | 18.2 | 0 | 0 | 0 | 114.5 | |||||
| 362 | F | 29.7 | Very low | 32.4 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | cis | -148.4 | 165.1 | 17 | -151.8 | -85.8 | 0 | 0 | 0 | 112.7 | ||||
| 363 | D | 38.3 | Very low | 32.6 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -63.4 | 159.6 | 173.7 | -86.5 | -76.4 | 0 | 0 | 0 | 116.3 | ||||
| 364 | L | 32.7 | Very low | 33 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -154.3 | 139.5 | 141.5 | -141 | 76.1 | 0 | 0 | 0 | 113.3 | ||||
| 365 | F | 34.5 | Very low | 33.5 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | 64.5 | 87.6 | 171.9 | -91.9 | -86.1 | 0 | 0 | 0 | 119.9 | ||||
| 366 | S | 34.4 | Very low | 34.1 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -75.6 | 172.3 | 138 | -71.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 367 | T | 28.9 | Very low | 34.8 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 76.1 | 142.6 | -175.3 | 78.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 368 | S | 33.8 | Very low | 35.5 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | -146.6 | 155.2 | 16.4 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 369 | N | 33.8 | Very low | 35.9 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 40.9 | 132.8 | 165.7 | -69.1 | 4.7 | 0 | 0 | 0 | 119.4 | ||||
| 370 | G | 28.8 | Very low | 36.8 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | cis | 99.6 | 129.2 | 46.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 371 | T | 33.2 | Very low | 37.4 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | cis | -145.7 | 174.6 | 32.9 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 372 | S | 36.3 | Very low | 37.9 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 58.3 | 110.7 | 159.1 | 54 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 373 | K | 35.2 | Very low | 39 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -149.5 | 60.9 | 169.2 | -165.1 | -165.7 | 172.9 | -179.7 | 0 | 111.4 | ||||
| 374 | E | 41.8 | Very low | 39 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -131.7 | 67.7 | -177.1 | -67.7 | 86.8 | 177.6 | 0 | 0 | 111.8 | ||||
| 375 | D | 44.7 | Very low | 38.9 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -153.3 | 21.2 | 174 | -154.4 | 18.5 | 0 | 0 | 0 | 114.8 | ||
| 376 | F | 43.4 | Very low | 38.9 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -133.4 | 2.5 | -177.1 | -81.5 | -82.3 | 0 | 0 | 0 | 115 | ||
| 377 | S | 46.8 | Very low | 39 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -93.1 | -15.4 | -174.8 | -51.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 378 | E | 46.4 | Very low | 39.4 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -25.9 | -165.5 | -151.4 | 166.9 | 151.2 | 0 | 0 | 113.5 | ||
| 379 | F | 39.3 | Very low | 39.5 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -32.6 | -176.7 | -168.8 | -107.9 | 0 | 0 | 0 | 114.1 | ||
| 380 | D | 48.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 65% | 0.647 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -77.6 | -23.9 | -176.3 | -158.9 | 39 | 0 | 0 | 0 | 112.7 | L382 R383 | D380-L382 PolarHBondContact O-N 3.21Å; D380-L382 VanDerWaalsContact O-N 3.12Å; D380-R383 PolarHBondContact O-N 3.25Å |
| 381 | S | 44.5 | Very low | 39.5 | Very low | 81 Ų | 81 | 136 Ų | 136 | 57% | 0.566 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -64.9 | -16.4 | 179.1 | -63.7 | 0 | 0 | 0 | 0 | 114 | ||
| 382 | L | 41.6 | Very low | 39.4 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -87.7 | -2.3 | -175.6 | -61.6 | 179.9 | 0 | 0 | 0 | 114.9 | D380 | D380-L382 PolarHBondContact O-N 3.21Å; D380-L382 VanDerWaalsContact O-N 3.12Å |
| 383 | R | 51.2 | Low | 39.2 | Very low | 221 Ų | 221 | 137.3 Ų | 137.3 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -104.6 | -8.8 | 176.8 | -74.3 | -170.5 | 174.3 | -129.7 | -0.4 | 115.2 | D380 | D380-R383 PolarHBondContact O-N 3.25Š|
| 384 | S | 38.9 | Very low | 38.9 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -113.6 | 8.1 | -166.3 | -60.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 385 | S | 31.6 | Very low | 38.5 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -113 | 62.8 | -174.4 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 386 | S | 33.7 | Very low | 38 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -130.7 | 69.2 | 166.2 | -164.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 387 | S | 36.9 | Very low | 37.4 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -138.6 | 137 | 172.5 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 388 | V | 36.7 | Very low | 36.6 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 131.3 | -169.5 | -159.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 389 | P | 37 | Very low | 35.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 121.1 | 167.5 | 32 | -30.4 | 0 | 0 | 0 | 111.1 | ||
| 390 | T | 28.9 | Very low | 36.2 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 149.9 | 157.7 | -59.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 391 | A | 32.3 | Very low | 35.4 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 146.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 392 | D | 31.6 | Very low | 34.8 | Very low | 166 Ų | 166 | 125.6 Ų | 125.6 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -148.3 | 174.3 | 131.9 | -162.4 | -160.4 | 0 | 0 | 0 | 110.2 | ||||
| 393 | A | 31.9 | Very low | 34.4 | Very low | 94 Ų | 94 | 126.2 Ų | 126.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -93.4 | 159.9 | -162.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 394 | G | 29.6 | Very low | 33.5 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 168.9 | 107.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 395 | I | 33.8 | Very low | 33.2 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -26.9 | 154.2 | 158 | 61.2 | 178.4 | 0 | 0 | 0 | 116.6 | ||||
| 396 | T | 32.5 | Very low | 33.2 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | cis | -148.8 | 179.5 | 30.8 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 397 | S | 31.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -21 | 155.8 | 156.7 | 53.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 398 | S | 30.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | -163.9 | 154.3 | 22.8 | 20.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 399 | L | 31.6 | Very low | 32.6 | Very low | 162 Ų | 162 | 121.6 Ų | 121.6 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -85.1 | 171.6 | 157.6 | -120.2 | 78.4 | 0 | 0 | 0 | 110.2 | ||||
| 400 | P | 45.7 | Very low | 32.3 | Very low | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | cis | -153.3 | -175.1 | 48.1 | 44.6 | -23.3 | 0 | 0 | 0 | 118.9 | ||||
| 401 | S | 31 | Very low | 32.7 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | 74 | 116.9 | 155.2 | -60.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 402 | Q | 33 | Very low | 32.7 | Very low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 84.1 | 99.6 | 53.8 | -75.2 | -83.5 | 6.8 | 0 | 0 | 114.4 | |||||
| 403 | V | 33 | Very low | 32.7 | Very low | 150 Ų | 150 | 124 Ų | 124 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -144.9 | 140.4 | 133.8 | -80.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 404 | S | 31.8 | Very low | 32.7 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -126.9 | 142.6 | 175.4 | -67.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 405 | L | 32.5 | Very low | 32.8 | Very low | 182 Ų | 182 | 130.3 Ų | 130.3 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -144.9 | 141.4 | 161 | -162.2 | 65.6 | 0 | 0 | 0 | 109.4 | ||||
| 406 | A | 31.1 | Very low | 33.5 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -135.2 | 144.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 407 | S | 29 | Very low | 33.8 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 174.3 | 152 | 151.3 | -84 | 0 | 0 | 0 | 0 | 111 | ||||
| 408 | S | 36 | Very low | 34.7 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | cis | -170.4 | 154.6 | -26.9 | -165 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 409 | G | 30.1 | Very low | 34.7 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | 89 | 150.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 410 | S | 30.6 | Very low | 34.7 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | cis | -160.6 | 126.5 | -2.4 | -168.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 411 | L | 36.7 | Very low | 34 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 63.2 | 118 | 153.5 | -65.7 | 168.9 | 0 | 0 | 0 | 121.7 | ||||
| 412 | D | 32.9 | Very low | 34 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -61.1 | 174.8 | 152 | -58 | -98.4 | 0 | 0 | 0 | 113.9 | ||||
| 413 | L | 32.5 | Very low | 34 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | 175.7 | 106.2 | 115.8 | 180 | 64.7 | 0 | 0 | 0 | 113.7 | |||||
| 414 | F | 31.1 | Very low | 34 | Very low | 182 Ų | 182 | 123.2 Ų | 123.2 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | 155.9 | 126.6 | 123.4 | -116.9 | -64.6 | 0 | 0 | 0 | 113.5 | |||||
| 415 | D | 32.6 | Very low | 34.1 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | -138.5 | 154.3 | 162.3 | 172.7 | 62.7 | 0 | 0 | 0 | 108 | L417 | D415-L417 PolarHBondContact OD2-N 3.42Š| ||
| 416 | P | 47.4 | Very low | 34.2 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | -141.9 | 116.8 | 128.6 | 33 | -16.6 | 0 | 0 | 0 | 115.9 | |||||
| 417 | L | 39.3 | Very low | 34.7 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -33.3 | 163.8 | 141.7 | -123.3 | 52.5 | 0 | 0 | 0 | 113.7 | D415 | D415-L417 PolarHBondContact OD2-N 3.42Š| ||
| 418 | P | 51 | Low | 35.2 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -148.1 | 175.8 | 19.3 | 36.3 | -13 | 0 | 0 | 0 | 119.1 | ||||
| 419 | T | 30.4 | Very low | 35.6 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | 153.2 | 116.1 | 113 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 420 | S | 30.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 59 | 165.7 | 155.1 | -63.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 421 | A | 31.7 | Very low | 38.2 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | cis | -166 | 139.5 | -38.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 422 | S | 30 | Very low | 39.2 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 53 | 140.3 | 167.6 | 65.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 423 | I | 34.5 | Very low | 40.5 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 82% | 0.821 | 72% | 0.721 | S | S | * | * | 176.7 | 138.7 | 119.9 | -90.5 | 159 | 0 | 0 | 0 | 111.5 | |||||
| 424 | S | 32.9 | Very low | 42 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | trans | -7.2 | 123.8 | 165.9 | -167 | 0 | 0 | 0 | 0 | 119.5 | N426 | S424-N426 PolarHBondContact O-N 3.22Š| ||
| 425 | T | 32.7 | Very low | 43.4 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | trans | -84.1 | 103.1 | 162.5 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 426 | N | 35.8 | Very low | 44.9 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | trans | -118.1 | 134.4 | 161.7 | -95.7 | -37.8 | 0 | 0 | 0 | 109.2 | S424 T428 | S424-N426 PolarHBondContact O-N 3.22Å; N426-T428 PolarHBondContact O-N 2.86Å; N426-T428 VanDerWaalsContact O-N 3.07Å | ||
| 427 | P | 41.7 | Very low | 46.2 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 84% | 0.844 | 69% | 0.685 | S | S | * | * | trans | -80.6 | 92.4 | -171.2 | 31.5 | -35.3 | 0 | 0 | 0 | 112.4 | ||||
| 428 | T | 37.7 | Very low | 47.6 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 128 | 171.5 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | N426 K430 | N426-T428 PolarHBondContact O-N 2.86Å; N426-T428 VanDerWaalsContact O-N 3.07Å; T428-K430 PolarHBondContact O-N 2.83Å |
| 429 | R | 45.8 | Very low | 47.8 | Very low | 245 Ų | 245 | 118.9 Ų | 118.9 | 93% | 0.925 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.6 | 168.8 | -81.9 | 175.3 | 159.4 | 156.6 | -7.1 | 109.1 | T431 | R429-T431 PolarHBondContact O-N 2.89Š|
| 430 | K | 50.8 | Low | 49.5 | Very low | 176 Ų | 176 | 114.8 Ų | 114.8 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.8 | 177.2 | -60.9 | -175.7 | 179.3 | -175.5 | 0 | 110.4 | T428 | T428-K430 PolarHBondContact O-N 2.83Š|
| 431 | T | 63.1 | Low | 51 | Low | 73 Ų | 73 | 114.1 Ų | 114.1 | 45% | 0.448 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -83.4 | 155.7 | 169.4 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | R429 E433 S434 | R429-T431 PolarHBondContact O-N 2.89Å; T431-E433 VanDerWaalsContact CB-OE2 3.23Å; T431-E433 WeakPolarHBondContact CB-OE2 3.21Å; T431-E433 PolarHBondContact O-N 3.14Å; T431-E433 PolarHBondContact OG1-OE2 3.33Å; T431-S434 WeakPolarHBondContact O-CB 3.35Å; T431-S434 PolarHBondContact O-N 3.37Å |
| 432 | P | 58 | Low | 52.6 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -62.5 | -24.3 | -178.3 | 24 | -34.9 | 0 | 0 | 0 | 113.8 | S434 F435 L445 | P432-S434 PolarHBondContact O-N 3.08Å; P432-F435 PolarHBondContact O-N 2.96Å; P432-F435 VanDerWaalsContact O-N 3.11Å; P432-L445 HydrophobicContact CG-CD1 4.48Å |
| 433 | E | 60 | Low | 54.3 | Low | 112 Ų | 112 | 114.9 Ų | 114.9 | 52% | 0.523 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -57.6 | -32.9 | 176.6 | -58.6 | 147.4 | 125.1 | 0 | 0 | 111.9 | T431 F435 L436 L445 | T431-E433 VanDerWaalsContact CB-OE2 3.23Å; T431-E433 WeakPolarHBondContact CB-OE2 3.21Å; T431-E433 PolarHBondContact O-N 3.14Å; T431-E433 PolarHBondContact OG1-OE2 3.33Å; E433-F435 PolarHBondContact O-N 3.17Å; E433-L436 PolarHBondContact O-N 2.61Å; E433-L436 VanDerWaalsContact O-N 3.09Å; E433-L445 HydrophobicContact CG-CD1 4.29Å |
| 434 | S | 64.1 | Low | 55.6 | Low | 86 Ų | 86 | 112.9 Ų | 112.9 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -63.1 | -12.5 | 178.8 | -175.1 | 0 | 0 | 0 | 0 | 114.3 | T431 P432 | T431-S434 WeakPolarHBondContact O-CB 3.35Å; T431-S434 PolarHBondContact O-N 3.37Å; P432-S434 PolarHBondContact O-N 3.08Å |
| 435 | F | 61.8 | Low | 57 | Low | 176 Ų | 176 | 111.2 Ų | 111.2 | 77% | 0.772 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -93.5 | -15.7 | 176 | -82.1 | -90.4 | 0 | 0 | 0 | 113.9 | P432 E433 | P432-F435 PolarHBondContact O-N 2.96Å; P432-F435 VanDerWaalsContact O-N 3.11Å; E433-F435 PolarHBondContact O-N 3.17Å |
| 436 | L | 63.8 | Low | 58.2 | Low | 67 Ų | 67 | 111.2 Ų | 111.2 | 35% | 0.351 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | -12.4 | -176.8 | -72.5 | 164.9 | 0 | 0 | 0 | 113.6 | E433 N439 A440 V443 L445 | E433-L436 PolarHBondContact O-N 2.61Å; E433-L436 VanDerWaalsContact O-N 3.09Å; L436-N439 PolarHBondContact O-N 2.88Å; L436-A440 HydrophobicContact CB-CB 3.91Å; L436-V443 HydrophobicContact CD1-CB 4.41Å; L436-V443 HydrophobicContact CD1-CG2 3.97Å; L436-V443 HydrophobicContact CD2-CG2 4.33Å; L436-L445 HydrophobicContact CD1-CD1 4.26Å; L436-L445 HydrophobicContact CD1-CD2 4.03Å |
| 437 | G | 73.8 | Confident | 59.3 | Low | 44 Ų | 44 | 108.8 Ų | 108.8 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | 57.6 | -141.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N439 A440 | G437-N439 PolarHBondContact O-N 3.29Å; G437-A440 WeakPolarHBondContact O-CB 3.46Å; G437-A440 PolarHBondContact O-N 2.98Å; G437-A440 VanDerWaalsContact O-N 3.14Å |
| 438 | P | 70.1 | Confident | 60 | Low | 133 Ų | 133 | 109.1 Ų | 109.1 | 86% | 0.864 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -57.3 | -19.9 | -179.4 | -26.3 | 35.6 | 0 | 0 | 0 | 115.2 | ||
| 439 | N | 55 | Low | 60.7 | Low | 99 Ų | 99 | 109 Ų | 109 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -91.8 | 0.6 | -177 | -62.8 | -55 | 0 | 0 | 0 | 113.7 | L436 G437 A441 L442 | L436-N439 PolarHBondContact O-N 2.88Å; G437-N439 PolarHBondContact O-N 3.29Å; N439-A441 PolarHBondContact O-N 3.25Å; N439-A441 VanDerWaalsContact O-N 3.14Å; N439-L442 WeakPolarHBondContact O-CB 3.44Å; N439-L442 PolarHBondContact O-N 2.94Å |
| 440 | A | 65.6 | Low | 60.7 | Low | 28 Ų | 28 | 103.1 Ų | 103.1 | 23% | 0.231 | 60% | 0.596 | C | S | . | * | G | 310 helix | trans | -55.1 | -33.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L436 G437 L442 V443 | L436-A440 HydrophobicContact CB-CB 3.91Å; G437-A440 WeakPolarHBondContact O-CB 3.46Å; G437-A440 PolarHBondContact O-N 2.98Å; G437-A440 VanDerWaalsContact O-N 3.14Å; A440-L442 PolarHBondContact O-N 2.95Å; A440-L442 VanDerWaalsContact O-N 3.16Å; A440-V443 PolarHBondContact O-N 3.1Å |
| 441 | A | 63.1 | Low | 60.2 | Low | 102 Ų | 102 | 103.5 Ų | 103.5 | 84% | 0.843 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -67.3 | -9.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N439 | N439-A441 PolarHBondContact O-N 3.25Å; N439-A441 VanDerWaalsContact O-N 3.14Å |
| 442 | L | 63.4 | Low | 59.1 | Low | 144 Ų | 144 | 105.7 Ų | 105.7 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -97.3 | -2.3 | 179.4 | -59.5 | 177.3 | 0 | 0 | 0 | 113.4 | N439 A440 | N439-L442 WeakPolarHBondContact O-CB 3.44Å; N439-L442 PolarHBondContact O-N 2.94Å; A440-L442 PolarHBondContact O-N 2.95Å; A440-L442 VanDerWaalsContact O-N 3.16Å |
| 443 | V | 66.4 | Low | 58.1 | Low | 64 Ų | 64 | 106.1 Ų | 106.1 | 39% | 0.388 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -127.5 | 111 | -173.5 | -135.3 | 0 | 0 | 0 | 0 | 110.3 | L436 A440 L445 | L436-V443 HydrophobicContact CD1-CB 4.41Å; L436-V443 HydrophobicContact CD1-CG2 3.97Å; L436-V443 HydrophobicContact CD2-CG2 4.33Å; A440-V443 PolarHBondContact O-N 3.1Å; V443-L445 VanDerWaalsContact C-N 3.35Å; V443-L445 PolarHBondContact O-N 3.14Å |
| 444 | N | 62.4 | Low | 57.1 | Low | 118 Ų | 118 | 108.9 Ų | 108.9 | 63% | 0.631 | 64% | 0.638 | S | S | * | * | trans | -80.5 | 80.7 | -176.9 | -166.3 | -1.6 | 0 | 0 | 0 | 111.5 | D446 S447 | N444-D446 PolarHBondContact O-N 3.34Å; N444-D446 VanDerWaalsContact O-N 3.15Å; N444-S447 WeakPolarHBondContact O-CB 3.39Å; N444-S447 PolarHBondContact O-N 3.23Å; N444-S447 VanDerWaalsContact O-N 3.1Å | ||
| 445 | L | 60.9 | Low | 55.9 | Low | 53 Ų | 53 | 110.1 Ų | 110.1 | 28% | 0.277 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -57.7 | -26.9 | -173.6 | -64.8 | 177.7 | 0 | 0 | 0 | 114.3 | P432 E433 L436 V443 S447 L448 | P432-L445 HydrophobicContact CG-CD1 4.48Å; E433-L445 HydrophobicContact CG-CD1 4.29Å; L436-L445 HydrophobicContact CD1-CD1 4.26Å; L436-L445 HydrophobicContact CD1-CD2 4.03Å; V443-L445 VanDerWaalsContact C-N 3.35Å; V443-L445 PolarHBondContact O-N 3.14Å; L445-S447 PolarHBondContact O-N 3.33Å; L445-L448 HydrophobicContact CD2-CD1 4.5Å; L445-L448 PolarHBondContact O-N 3.12Å |
| 446 | D | 58.2 | Low | 54.8 | Low | 139 Ų | 139 | 106 Ų | 106 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -62 | -27.4 | 178.4 | -162.5 | 51.2 | 0 | 0 | 0 | 112.2 | N444 L448 | N444-D446 PolarHBondContact O-N 3.34Å; N444-D446 VanDerWaalsContact O-N 3.15Å; D446-L448 VanDerWaalsContact C-N 3.27Å; D446-L448 PolarHBondContact O-N 2.91Å |
| 447 | S | 59.8 | Low | 53.8 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -70.1 | -21 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | N444 L445 T450 | N444-S447 WeakPolarHBondContact O-CB 3.39Å; N444-S447 PolarHBondContact O-N 3.23Å; N444-S447 VanDerWaalsContact O-N 3.1Å; L445-S447 PolarHBondContact O-N 3.33Å; S447-T450 PolarHBondContact O-OG1 2.98Å |
| 448 | L | 55.4 | Low | 52.5 | Low | 137 Ų | 137 | 112.7 Ų | 112.7 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -93.7 | -6.2 | -176.9 | -70.3 | 168.8 | 0 | 0 | 0 | 113.8 | L445 D446 | L445-L448 HydrophobicContact CD2-CD1 4.5Å; L445-L448 PolarHBondContact O-N 3.12Å; D446-L448 VanDerWaalsContact C-N 3.27Å; D446-L448 PolarHBondContact O-N 2.91Å |
| 449 | V | 54.1 | Low | 51.2 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | trans | -107.2 | 49.8 | 175.3 | -167.5 | 0 | 0 | 0 | 0 | 110 | K451 | V449-K451 PolarHBondContact O-N 3.25Å; V449-K451 VanDerWaalsContact O-N 3.14Å | ||
| 450 | T | 44.1 | Very low | 50.5 | Low | 122 Ų | 122 | 113.5 Ų | 113.5 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | trans | -72.7 | 107.8 | 179.2 | -4.5 | 0 | 0 | 0 | 0 | 111 | S447 | S447-T450 PolarHBondContact O-OG1 2.98Š| ||
| 451 | K | 40.9 | Very low | 49.7 | Very low | 185 Ų | 185 | 117.6 Ų | 117.6 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.9 | -179.8 | -174.4 | 176.7 | -178.1 | 176.5 | 0 | 112 | V449 | V449-K451 PolarHBondContact O-N 3.25Å; V449-K451 VanDerWaalsContact O-N 3.14Å |
| 452 | P | 39.7 | Very low | 48.5 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 151.4 | 178.4 | 27.8 | -35 | 0 | 0 | 0 | 112.3 | ||
| 453 | A | 37.6 | Very low | 47.7 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -68 | 143.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 454 | Q | 38.2 | Very low | 46.4 | Very low | 171 Ų | 171 | 124.3 Ų | 124.3 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 141.1 | 168.2 | -75.9 | -79 | -39.8 | 0 | 0 | 110.1 | ||
| 455 | P | 40.4 | Very low | 45.3 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 148.8 | 174 | 31.2 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 456 | A | 38.8 | Very low | 44 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -74 | 147.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V458 | A456-V458 PolarHBondContact O-N 3.4Š|
| 457 | P | 41.1 | Very low | 42.7 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 128.4 | 175.7 | 28.8 | -34.1 | 0 | 0 | 0 | 111.2 | ||
| 458 | V | 47.9 | Very low | 41.4 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 131.7 | 171.2 | -75.9 | 0 | 0 | 0 | 0 | 110.7 | A456 | A456-V458 PolarHBondContact O-N 3.4Š|
| 459 | V | 43 | Very low | 40.2 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -115.1 | 124.6 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 460 | N | 40.7 | Very low | 39.3 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | trans | -80 | 129 | -173.4 | -65.4 | -36 | 0 | 0 | 0 | 111.4 | F462 | N460-F462 PolarHBondContact O-N 3.05Å; N460-F462 VanDerWaalsContact O-N 3.13Å | ||
| 461 | P | 47 | Very low | 39.2 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 3.2 | -171 | 30.9 | -36.7 | 0 | 0 | 0 | 115.5 | ||
| 462 | F | 39.7 | Very low | 38.8 | Very low | 190 Ų | 190 | 118.1 Ų | 118.1 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 8 | -172 | -75.2 | -78 | 0 | 0 | 0 | 115.3 | N460 | N460-F462 PolarHBondContact O-N 3.05Å; N460-F462 VanDerWaalsContact O-N 3.13Å |
| 463 | L | 46.3 | Very low | 38.9 | Very low | 160 Ų | 160 | 117.9 Ų | 117.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -114.9 | 32.1 | -174.4 | -70.3 | 174.7 | 0 | 0 | 0 | 114.7 | ||
| 464 | A | 39.3 | Very low | 38.9 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -131.7 | 61.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 465 | A | 38.1 | Very low | 38.8 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -143.8 | 40.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 466 | T | 33.3 | Very low | 38.6 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -141.7 | 100.9 | 168.9 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 467 | G | 31.7 | Very low | 38.9 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 80.8 | 139.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 468 | G | 32.5 | Very low | 38.7 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | 154.3 | 51.9 | -7.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 469 | S | 30.9 | Very low | 38.4 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -165.3 | 148.1 | 157.5 | -85.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 470 | A | 34.7 | Very low | 38.3 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -103.8 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 471 | P | 41.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | cis | -132 | 179.1 | 7.5 | 41.9 | -24.8 | 0 | 0 | 0 | 116 | ||||
| 472 | A | 32.9 | Very low | 38.3 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | -77.7 | 169.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 473 | P | 41.8 | Very low | 38.7 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | -151 | 174.2 | 90.8 | 39.3 | -21.4 | 0 | 0 | 0 | 117.1 | |||||
| 474 | V | 37.1 | Very low | 39.1 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | 59.4 | 147.9 | 163.5 | -81.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 475 | A | 37.1 | Very low | 39.8 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -107.9 | 164.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 476 | N | 35.3 | Very low | 40.8 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -140.8 | 114 | 169.1 | -90.2 | -53.1 | 0 | 0 | 0 | 110.9 | F478 | N476-F478 VanDerWaalsContact C-N 3.28Å; N476-F478 PolarHBondContact O-N 3.29Å; N476-F478 VanDerWaalsContact O-N 3.12Å | ||
| 477 | P | 45.6 | Very low | 42.5 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -88.2 | 39.4 | -170.6 | 37 | -37.9 | 0 | 0 | 0 | 113.9 | ||||
| 478 | F | 37.2 | Very low | 43.4 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -132.5 | 56.5 | -172.9 | -84.2 | -81.4 | 0 | 0 | 0 | 113.3 | N476 | N476-F478 VanDerWaalsContact C-N 3.28Å; N476-F478 PolarHBondContact O-N 3.29Å; N476-F478 VanDerWaalsContact O-N 3.12Å | ||
| 479 | Q | 41.1 | Very low | 44.6 | Very low | 199 Ų | 199 | 130.4 Ų | 130.4 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -114.6 | 62.2 | 160.2 | -71 | -161.3 | 6 | 0 | 0 | 110.8 | ||||
| 480 | M | 41.5 | Very low | 45.9 | Very low | 170 Ų | 170 | 131 Ų | 131 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | trans | -101.6 | 138.6 | 161.9 | -146.4 | 167.4 | -165.4 | 0 | 0 | 107.5 | ||||
| 481 | T | 46.3 | Very low | 46.7 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | 69.8 | 95.9 | -171.7 | 69.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 482 | Q | 41 | Very low | 47.3 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -140.9 | 122.2 | 155.5 | -98.3 | -73 | -1.3 | 0 | 0 | 106.6 | ||||
| 483 | P | 47.2 | Very low | 47.8 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 155 | -177.9 | 30.6 | -34.5 | 0 | 0 | 0 | 112.7 | ||
| 484 | V | 55.6 | Low | 47.6 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 132.3 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 485 | P | 54.2 | Low | 48.1 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 136.4 | 176.3 | 27.6 | -34.4 | 0 | 0 | 0 | 111.7 | ||
| 486 | P | 59.2 | Low | 48.1 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 57% | 0.565 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 145.4 | -177.9 | 28.1 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 487 | T | 68 | Low | 48.8 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 156.8 | -176 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | N489 Q490 | T487-N489 PolarHBondContact O-N 3.41Å; T487-Q490 PolarHBondContact O-N 3.29Å |
| 488 | L | 50.4 | Low | 48.2 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -54.3 | -24.2 | -165.2 | -173.4 | 141.5 | 0 | 0 | 0 | 115.8 | Q490 M491 | L488-Q490 VanDerWaalsContact C-N 3.26Å; L488-Q490 PolarHBondContact O-N 2.95Å; L488-M491 PolarHBondContact O-N 3.17Å |
| 489 | N | 59.1 | Low | 48 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -69.4 | -19.7 | 176.5 | -70.4 | -17.7 | 0 | 0 | 0 | 113.9 | T487 | T487-N489 PolarHBondContact O-N 3.41Š|
| 490 | Q | 57.8 | Low | 47.5 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 66% | 0.659 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -82.9 | -13.5 | -179.7 | -60.9 | -174.3 | 7.6 | 0 | 0 | 113.5 | T487 L488 R492 | T487-Q490 PolarHBondContact O-N 3.29Å; L488-Q490 VanDerWaalsContact C-N 3.26Å; L488-Q490 PolarHBondContact O-N 2.95Å; Q490-R492 VanDerWaalsContact C-N 3.34Å; Q490-R492 PolarHBondContact O-N 3.28Å |
| 491 | M | 52.3 | Low | 47 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 70% | 0.7 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -87.6 | 8.2 | -178.5 | -71.7 | -172.8 | -77.3 | 0 | 0 | 114.5 | L488 | L488-M491 PolarHBondContact O-N 3.17Š|
| 492 | R | 52 | Low | 46.4 | Very low | 229 Ų | 229 | 130.5 Ų | 130.5 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -101.2 | 4.9 | -173.5 | -141.2 | -177.2 | -166.3 | 179.5 | 5.8 | 115.7 | Q490 | Q490-R492 VanDerWaalsContact C-N 3.34Å; Q490-R492 PolarHBondContact O-N 3.28Å |
| 493 | V | 43.6 | Very low | 46.2 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -134.6 | 105.8 | -179.8 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 494 | S | 38.6 | Very low | 45.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -99.6 | 156.1 | 169.2 | -45.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 495 | P | 47.2 | Very low | 44.4 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | -144.8 | 170.6 | 82.9 | 35.6 | -17 | 0 | 0 | 0 | 116.7 | |||||
| 496 | M | 37.6 | Very low | 44.4 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | -78.5 | 175.2 | 170.7 | -145.1 | 42.3 | 178.3 | 0 | 0 | 109.8 | ||||
| 497 | P | 48.5 | Very low | 43.6 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | cis | -147.6 | -176 | 14.4 | 46.2 | -26.4 | 0 | 0 | 0 | 119.3 | ||||
| 498 | S | 33.3 | Very low | 43 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | 76.5 | 137.9 | 149.8 | -59.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 499 | G | 32.6 | Very low | 42.3 | Very low | 88 Ų | 88 | 135 Ų | 135 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | 157.6 | 94.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 500 | F | 32 | Very low | 41.2 | Very low | 216 Ų | 216 | 132.1 Ų | 132.1 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | trans | -86.7 | 151.9 | -169.6 | -174.8 | -85.2 | 0 | 0 | 0 | 116.8 | ||||
| 501 | G | 31 | Very low | 40 | Very low | 57 Ų | 57 | 130.9 Ų | 130.9 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | trans | 99.4 | 133.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 502 | S | 34 | Very low | 39.3 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | 82.9 | 135.5 | 51.5 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 503 | I | 37.1 | Very low | 39.4 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | cis | -171.4 | 154.6 | -2 | -171.3 | 163.8 | 0 | 0 | 0 | 110.7 | ||||
| 504 | A | 35.2 | Very low | 39 | Very low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | trans | 41.8 | 158.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 505 | E | 29.1 | Very low | 39.1 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -168 | -151.5 | -4.6 | -113.4 | -172.5 | 103.3 | 0 | 0 | 109 | ||||
| 506 | P | 54.7 | Low | 39.2 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | -134.2 | 155.9 | -72.6 | 40.8 | -24 | 0 | 0 | 0 | 119.1 | |||||
| 507 | M | 40.5 | Very low | 39.2 | Very low | 173 Ų | 173 | 124 Ų | 124 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | 64.6 | 175.6 | 139.1 | -65.4 | -69.9 | -89 | 0 | 0 | 122.4 | ||||
| 508 | P | 57 | Low | 38.4 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | -141.8 | -174.8 | -54.8 | 42.4 | -25.7 | 0 | 0 | 0 | 117.4 | |||||
| 509 | L | 34.8 | Very low | 38.6 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | 135.7 | 134.3 | 128.4 | -150.9 | 82.3 | 0 | 0 | 0 | 121.3 | |||||
| 510 | A | 37 | Very low | 38.7 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | 62.7 | 161.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 511 | S | 32.7 | Very low | 39.4 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -169.4 | -177.3 | -21.5 | -89.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 512 | V | 36.9 | Very low | 39.4 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | -152 | -177.5 | -173.2 | -95.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 513 | P | 54.3 | Low | 39.2 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -146.8 | -162 | 13.2 | 44.2 | -21 | 0 | 0 | 0 | 119.1 | ||||
| 514 | A | 34.5 | Very low | 39 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 94.6 | 176.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 515 | Q | 40.8 | Very low | 39 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -152.2 | -154.8 | -161.5 | -53.7 | -176.9 | -1.1 | 0 | 0 | 111.5 | ||||
| 516 | P | 50.1 | Low | 39.1 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | cis | -146.8 | -165.1 | -8.2 | 34.7 | -7.5 | 0 | 0 | 0 | 118.6 | ||||
| 517 | V | 36.8 | Very low | 38.7 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | 73.4 | 141.1 | 152.8 | -75.6 | 0 | 0 | 0 | 0 | 128.8 | ||||
| 518 | T | 31.4 | Very low | 38.3 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | 71.1 | 133.9 | 144.1 | 45 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 519 | M | 38.9 | Very low | 37 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | 167.6 | 153.9 | 124.7 | -92 | -63.5 | -173.9 | 0 | 0 | 114.5 | |||||
| 520 | V | 34.6 | Very low | 36.9 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -156.8 | 132.7 | -179 | 179.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 521 | P | 45.5 | Very low | 36.6 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -150.3 | 142.8 | 156.8 | 37 | -18.4 | 0 | 0 | 0 | 119.2 | ||||
| 522 | L | 31.1 | Very low | 36.7 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | 61.7 | 171.1 | 156.2 | -100.1 | 62.4 | 0 | 0 | 0 | 118.6 | ||||
| 523 | A | 30.9 | Very low | 37.3 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | cis | -157.3 | 178.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 524 | G | 31.5 | Very low | 36.2 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | cis | 167.4 | 173 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 525 | M | 35.1 | Very low | 36.2 | Very low | 200 Ų | 200 | 129.2 Ų | 129.2 | 99% | 0.985 | 80% | 0.8 | S | S | * | * | trans | 70.6 | 138.9 | 171.2 | -130.9 | 77.3 | 120.6 | 0 | 0 | 121.8 | ||||
| 526 | A | 32 | Very low | 35.8 | Very low | 87 Ų | 87 | 124.7 Ų | 124.7 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -130.8 | -159 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 527 | P | 46.8 | Very low | 34.8 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | cis | -143.5 | -162.3 | 8.8 | 45.6 | -24.5 | 0 | 0 | 0 | 116.1 | ||||
| 528 | M | 32.6 | Very low | 34.5 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | 69.7 | 143.5 | 159.9 | -74.5 | 179.3 | 161.4 | 0 | 0 | 120.1 | ||||
| 529 | G | 29.8 | Very low | 34.7 | Very low | 64 Ų | 64 | 122.8 Ų | 122.8 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | cis | 165.4 | 166.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 530 | H | 31.6 | Very low | 34.3 | Very low | 187 Ų | 187 | 117.6 Ų | 117.6 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 63.8 | 134.9 | 163.1 | -62.2 | 94.3 | 0 | 0 | 0 | 121 | ||||
| 531 | G | 31.6 | Very low | 34.2 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 160.7 | 89 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 532 | M | 33.2 | Very low | 33.5 | Very low | 180 Ų | 180 | 114.9 Ų | 114.9 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -138.6 | 169.9 | 173.9 | -106.9 | 173.8 | 61 | 0 | 0 | 108.4 | ||||
| 533 | P | 49.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -130.3 | -174.4 | -23.1 | 38.2 | -21 | 0 | 0 | 0 | 112.7 | ||||
| 534 | G | 32 | Very low | 34.7 | Very low | 72 Ų | 72 | 115.3 Ų | 115.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -140.5 | 154.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 535 | T | 34.5 | Very low | 35.8 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -153.5 | 145.3 | -168.2 | 53.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 536 | G | 31.5 | Very low | 35.8 | Very low | 86 Ų | 86 | 113.3 Ų | 113.3 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 96.4 | 153.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 537 | G | 30.3 | Very low | 36 | Very low | 78 Ų | 78 | 118.1 Ų | 118.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | 150.3 | 116.3 | -12.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 538 | G | 30.7 | Very low | 35.3 | Very low | 77 Ų | 77 | 117.9 Ų | 117.9 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 71 | 175.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 539 | V | 33.8 | Very low | 35.6 | Very low | 157 Ų | 157 | 117.4 Ų | 117.4 | 95% | 0.952 | 82% | 0.815 | S | S | * | * | cis | -157.5 | 170.9 | -14 | -76.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 540 | G | 31.3 | Very low | 36.5 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | cis | 159.1 | 156.9 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 541 | A | 33.2 | Very low | 36.8 | Very low | 118 Ų | 118 | 119.3 Ų | 119.3 | 98% | 0.975 | 82% | 0.818 | S | S | * | * | trans | 65.3 | 159.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 542 | G | 30.4 | Very low | 37.6 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | cis | -173.2 | 172.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 543 | I | 38.6 | Very low | 37.5 | Very low | 164 Ų | 164 | 121 Ų | 121 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -121.6 | 165.7 | 171.8 | -15.4 | 175.8 | 0 | 0 | 0 | 107.7 | ||||
| 544 | P | 49 | Very low | 36.8 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | -154.6 | -149.5 | 78.1 | 51.3 | -29.5 | 0 | 0 | 0 | 112.4 | |||||
| 545 | P | 53.3 | Low | 37 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -137.2 | 179.5 | -133.7 | 33.7 | -6.4 | 0 | 0 | 0 | 118.1 | ||||
| 546 | S | 35 | Very low | 37.5 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | 163.6 | 162 | 151.5 | 48 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 547 | M | 38.1 | Very low | 38.3 | Very low | 189 Ų | 189 | 128 Ų | 128 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | cis | -121.9 | -166.8 | 14 | -53.4 | -179 | 79.8 | 0 | 0 | 112.1 | ||||
| 548 | S | 31.4 | Very low | 39 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -149.6 | 152.9 | -159.3 | -167.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 549 | M | 39.3 | Very low | 39.2 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | 67.6 | 163.5 | 160.9 | -77.3 | -63.6 | 179.8 | 0 | 0 | 118.3 | ||||
| 550 | P | 48.8 | Very low | 39.2 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | cis | -117.5 | 165.9 | 7.2 | 40.2 | -28 | 0 | 0 | 0 | 117.8 | ||||
| 551 | Q | 36.8 | Very low | 39.2 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -121.6 | 150.1 | 169.3 | -75.9 | -90 | -46.9 | 0 | 0 | 109.7 | ||||
| 552 | P | 47.6 | Very low | 39.3 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -102.5 | 113.2 | 172.8 | 34.9 | -28 | 0 | 0 | 0 | 114.3 | ||||
| 553 | L | 32 | Very low | 39.4 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | 61.6 | 164.9 | 155.4 | -118.2 | 75.4 | 0 | 0 | 0 | 121.4 | ||||
| 554 | M | 35.8 | Very low | 39.7 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -119.3 | 163.3 | -169.7 | -64 | 178.2 | 170.6 | 0 | 0 | 112.8 | ||||
| 555 | S | 35.6 | Very low | 38.9 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -143.2 | 140.9 | 147.6 | -78.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 556 | M | 44 | Very low | 37.9 | Very low | 165 Ų | 165 | 134 Ų | 134 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 153.2 | -172.9 | -80.4 | -73.7 | -174.2 | 0 | 0 | 112.7 | ||
| 557 | P | 49.2 | Very low | 38.2 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 153.8 | 173.2 | 36.7 | -34 | 0 | 0 | 0 | 112.7 | ||
| 558 | P | 44.7 | Very low | 38.5 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 136.3 | 162.7 | 34.7 | -28.5 | 0 | 0 | 0 | 112 | ||
| 559 | Q | 34.6 | Very low | 38.6 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -140.5 | 103 | 165.6 | -175 | -172.6 | 3.6 | 0 | 0 | 110.9 | ||||
| 560 | A | 33.6 | Very low | 39.3 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -162 | 139.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 561 | G | 31.9 | Very low | 39 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 161.4 | 58 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 562 | S | 35.3 | Very low | 39.3 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -79.4 | 132 | 169.9 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 563 | Q | 33.1 | Very low | 38.9 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | trans | -66.4 | 171.7 | 166.1 | -79.4 | -153 | 10.9 | 0 | 0 | 112.1 | ||||
| 564 | P | 45 | Very low | 39.3 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 84% | 0.838 | S | S | * | * | cis | -144.1 | -174.1 | 21.5 | 44.6 | -25.7 | 0 | 0 | 0 | 118.6 | ||||
| 565 | A | 32.5 | Very low | 39.5 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | 76.7 | 147.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 566 | G | 31.6 | Very low | 39.7 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | 139.8 | 77.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 567 | T | 42.3 | Very low | 39.4 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -18.6 | 139.1 | 159.7 | 49.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 568 | T | 44.1 | Very low | 38.8 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 85% | 0.848 | S | S | * | * | trans | 63.9 | 107 | 141.5 | -49.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 569 | N | 33.2 | Very low | 38.4 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 87% | 0.872 | 85% | 0.849 | S | S | * | * | trans | -105.7 | 127.1 | 153.1 | -85.5 | -20.9 | 0 | 0 | 0 | 110.1 | ||||
| 570 | P | 53.2 | Low | 38.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | trans | -78.7 | 177.1 | 168.9 | 34.8 | -34.8 | 0 | 0 | 0 | 111.8 | ||||
| 571 | F | 43.4 | Very low | 39.1 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -58.5 | 153.1 | -174.5 | -81.5 | -100.9 | 0 | 0 | 0 | 116.5 | ||
| 572 | L | 41.9 | Very low | 39.7 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | trans | 86.1 | 135.4 | 151.6 | -73 | 154.4 | 0 | 0 | 0 | 120.5 | ||||
| 573 | L | 40.8 | Very low | 40.1 | Very low | 244 Ų | 244 | 144.5 Ų | 144.5 | 100% | 1.277 | 84% | 0.842 | S | S | * | * | trans | 69.2 | 0 | 165.7 | -68.3 | 157.5 | 0 | 0 | 0 | 116.4 |
Retrieved 573 of 573 residues in 160.4 ms
(Link to these results)