| 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 | 75.1 | Confident | 84.3 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 23% | 0.232 | 34% | 0.338 | C | S | . | . | 0 | -56.7 | 0 | -168.8 | -78.8 | -76.7 | 0 | 0 | 109.3 | T3 L4 Y5 L51 L54 E58 A66 | M1-T3 PolarHBondContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-Y5 WeakPolarHBondContact O-CB 3.16Å; M1-Y5 PolarHBondContact O-N 3.21Å; M1-L51 HydrophobicContact CG-CD1 4.06Å; M1-L51 WeakPolarHBondContact O-CD1 3.4Å; M1-L51 HydrophobicContact SD-CD1 4.29Å; M1-L54 HydrophobicContact CG-CB 4.42Å; M1-E58 VanDerWaalsContact CB-OE1 3.25Å; M1-E58 WeakPolarHBondContact CB-OE1 3.44Å; M1-E58 WeakPolarHBondContact CE-OE1 3.32Å; M1-E58 WeakPolarHBondContact CG-OE1 3.43Å; M1-A66 HydrophobicContact CE-CB 3.89Å | |||
| 2 | E | 77.5 | Confident | 84.7 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | -178.4 | -68.4 | -179.9 | 159.2 | 0 | 0 | 115.1 | Y5 H6 | E2-Y5 PolarHBondContact O-N 3.22Å; E2-H6 PolarHBondContact O-N 3.42Å |
| 3 | T | 81.8 | Confident | 85 | Confident | 116 Ų | 116 | 67.6 Ų | 67.6 | 71% | 0.712 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 178.3 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | M1 H6 Q7 | M1-T3 PolarHBondContact O-N 3.1Å; T3-H6 PolarHBondContact O-N 2.98Å; T3-Q7 WeakPolarHBondContact O-CB 3.08Å; T3-Q7 PolarHBondContact O-N 2.8Å |
| 4 | L | 81.8 | Confident | 85.3 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.7 | -172.4 | 66.7 | 0 | 0 | 0 | 111 | M1 Q7 T8 R50 L51 L54 | M1-L4 PolarHBondContact O-N 3.15Å; L4-Q7 PolarHBondContact O-N 3.06Å; L4-T8 WeakPolarHBondContact O-CB 3.27Å; L4-T8 PolarHBondContact O-N 3.48Å; L4-T8 PolarHBondContact O-OG1 2.95Å; L4-R50 HydrophobicContact CD2-CB 4.31Å; L4-R50 HydrophobicContact CD2-CG 4.2Å; L4-L51 HydrophobicContact CB-CD1 4.03Å; L4-L51 HydrophobicContact CD2-CB 4.12Å; L4-L51 HydrophobicContact CD2-CD1 3.97Å; L4-L51 HydrophobicContact CG-CD1 4.13Å; L4-L54 HydrophobicContact CD2-CD1 3.96Å |
| 5 | Y | 83.1 | Confident | 85.5 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59 | -48.6 | 175.8 | 173 | -92.9 | 0 | 0 | 0 | 112.3 | M1 E2 Q7 T8 N9 L51 R69 L73 | M1-Y5 WeakPolarHBondContact O-CB 3.16Å; M1-Y5 PolarHBondContact O-N 3.21Å; E2-Y5 PolarHBondContact O-N 3.22Å; Y5-Q7 VanDerWaalsContact C-N 3.35Å; Y5-Q7 PolarHBondContact O-N 2.94Å; Y5-T8 PolarHBondContact O-N 3.23Å; Y5-N9 VanDerWaalsContact O-CB 3.31Å; Y5-N9 WeakPolarHBondContact O-CB 3.41Å; Y5-N9 PolarHBondContact O-N 2.93Å; Y5-L51 HydrophobicContact CD2-CD2 4.09Å; Y5-R69 HydrophobicContact CD2-CB 4.36Å; Y5-R69 HydrophobicContact CE2-CB 3.69Å; Y5-R69 HydrophobicContact CE2-CG 4.23Å; Y5-L73 HydrophobicContact CD2-CD1 3.87Å; Y5-L73 HydrophobicContact CD2-CD2 4.32Å; Y5-L73 HydrophobicContact CE2-CD1 3.15Å; Y5-L73 HydrophobicContact CE2-CD2 4.34Å; Y5-L73 HydrophobicContact CE2-CG 4.39Å |
| 6 | H | 87.1 | Confident | 85.5 | Confident | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.8 | -38.2 | 178.3 | -72.6 | -30.8 | 0 | 0 | 0 | 112.5 | E2 T3 N9 K10 | E2-H6 PolarHBondContact O-N 3.42Å; T3-H6 PolarHBondContact O-N 2.98Å; H6-N9 PolarHBondContact O-N 2.83Å; H6-K10 WeakPolarHBondContact O-CB 3.3Å; H6-K10 PolarHBondContact O-N 2.97Å |
| 7 | Q | 88.1 | Confident | 85.6 | Confident | 104 Ų | 104 | 65.6 Ų | 65.6 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 174.9 | -175.3 | 178.3 | -0.3 | 0 | 0 | 111.4 | T3 L4 Y5 N9 K10 Q11 | T3-Q7 WeakPolarHBondContact O-CB 3.08Å; T3-Q7 PolarHBondContact O-N 2.8Å; L4-Q7 PolarHBondContact O-N 3.06Å; Y5-Q7 VanDerWaalsContact C-N 3.35Å; Y5-Q7 PolarHBondContact O-N 2.94Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 2.81Å; Q7-K10 PolarHBondContact O-N 2.74Å; Q7-Q11 WeakPolarHBondContact O-CG 3.38Å; Q7-Q11 PolarHBondContact O-N 3.38Å |
| 8 | T | 86.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | L4 Y5 K10 Q11 I12 I44 H47 L48 L73 | L4-T8 WeakPolarHBondContact O-CB 3.27Å; L4-T8 PolarHBondContact O-N 3.48Å; L4-T8 PolarHBondContact O-OG1 2.95Å; Y5-T8 PolarHBondContact O-N 3.23Å; T8-K10 VanDerWaalsContact C-N 3.34Å; T8-K10 PolarHBondContact O-N 3Å; T8-Q11 PolarHBondContact O-N 3.28Å; T8-I12 HydrophobicContact CG2-CD1 4.2Å; T8-I12 VanDerWaalsContact O-CG1 3.31Å; T8-I12 WeakPolarHBondContact O-CG1 3.43Å; T8-I12 PolarHBondContact O-N 3.24Å; T8-I44 HydrophobicContact CG2-CG2 3.82Å; T8-H47 HydrophobicContact CG2-CB 4.44Å; T8-L48 HydrophobicContact CG2-CD2 4.35Å; T8-L48 HydrophobicContact CG2-CG 4.13Å; T8-L73 HydrophobicContact CG2-CD2 3.71Å |
| 9 | N | 88.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 178.1 | -167.9 | 45 | 0 | 0 | 0 | 112.3 | Y5 H6 Q7 I12 Q13 L73 | Y5-N9 VanDerWaalsContact O-CB 3.31Å; Y5-N9 WeakPolarHBondContact O-CB 3.41Å; Y5-N9 PolarHBondContact O-N 2.93Å; H6-N9 PolarHBondContact O-N 2.83Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 2.81Å; N9-I12 PolarHBondContact O-N 3.13Å; N9-Q13 WeakPolarHBondContact O-CG 3.21Å; N9-Q13 PolarHBondContact O-N 2.8Å; N9-Q13 VanDerWaalsContact O-N 3.1Å; N9-L73 HydrophobicContact CB-CD2 4.43Å |
| 10 | K | 90.6 | Very high | 85 | Confident | 129 Ų | 129 | 61.5 Ų | 61.5 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 174.2 | -171.1 | -172.1 | 178.1 | -162.3 | 0 | 111.3 | H6 Q7 T8 I12 Q13 E14 | H6-K10 WeakPolarHBondContact O-CB 3.3Å; H6-K10 PolarHBondContact O-N 2.97Å; Q7-K10 PolarHBondContact O-N 2.74Å; T8-K10 VanDerWaalsContact C-N 3.34Å; T8-K10 PolarHBondContact O-N 3Å; K10-I12 VanDerWaalsContact C-N 3.31Å; K10-I12 PolarHBondContact O-N 3.17Å; K10-Q13 PolarHBondContact O-N 3.28Å; K10-E14 WeakPolarHBondContact CE-OE1 3.46Å; K10-E14 IonicContact NZ-OE1 3.23Å; K10-E14 WeakPolarHBondContact O-CG 3.45Å; K10-E14 PolarHBondContact O-N 3.1Å |
| 11 | Q | 88.1 | Confident | 84.7 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 177 | -69.7 | -177 | -56.5 | 0 | 0 | 112.1 | Q7 T8 E14 V15 I44 H47 | Q7-Q11 WeakPolarHBondContact O-CG 3.38Å; Q7-Q11 PolarHBondContact O-N 3.38Å; T8-Q11 PolarHBondContact O-N 3.28Å; Q11-E14 PolarHBondContact O-N 3.18Å; Q11-V15 WeakPolarHBondContact O-CG2 3.22Å; Q11-V15 PolarHBondContact O-N 3.47Å; Q11-I44 HydrophobicContact CB-CD1 3.82Å; Q11-I44 HydrophobicContact CB-CG1 3.82Å; Q11-H47 PolarHBondContact OE1-CE1 3.23Å; Q11-H47 PolarHBondContact OE1-ND1 2.88Å |
| 12 | I | 88.7 | Confident | 84.8 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.1 | -71 | 168.7 | 0 | 0 | 0 | 111.1 | T8 N9 K10 V15 Q16 I44 L73 D76 V77 L80 | T8-I12 HydrophobicContact CG2-CD1 4.2Å; T8-I12 VanDerWaalsContact O-CG1 3.31Å; T8-I12 WeakPolarHBondContact O-CG1 3.43Å; T8-I12 PolarHBondContact O-N 3.24Å; N9-I12 PolarHBondContact O-N 3.13Å; K10-I12 VanDerWaalsContact C-N 3.31Å; K10-I12 PolarHBondContact O-N 3.17Å; I12-V15 PolarHBondContact O-N 3.42Å; I12-Q16 WeakPolarHBondContact O-CG 3.25Å; I12-Q16 PolarHBondContact O-N 3.43Å; I12-I44 HydrophobicContact CD1-CG2 4.28Å; I12-I44 HydrophobicContact CG1-CD1 4.25Å; I12-I44 HydrophobicContact CG1-CG2 3.88Å; I12-L73 HydrophobicContact CD1-CB 4.03Å; I12-L73 HydrophobicContact CD1-CD2 3.75Å; I12-L73 HydrophobicContact CD1-CG 3.79Å; I12-D76 HydrophobicContact CG2-CB 4.4Å; I12-V77 HydrophobicContact CD1-CG2 3.52Å; I12-V77 HydrophobicContact CG1-CG2 3.68Å; I12-L80 HydrophobicContact CG2-CD1 3.87Å |
| 13 | Q | 89.1 | Confident | 84.5 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 178 | -70.6 | -179 | -7.4 | 0 | 0 | 112.4 | N9 K10 Q16 S17 | N9-Q13 WeakPolarHBondContact O-CG 3.21Å; N9-Q13 PolarHBondContact O-N 2.8Å; N9-Q13 VanDerWaalsContact O-N 3.1Å; K10-Q13 PolarHBondContact O-N 3.28Å; Q13-Q16 PolarHBondContact O-N 3.28Å; Q13-S17 PolarHBondContact O-N 2.97Å |
| 14 | E | 88.5 | Confident | 84.2 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.1 | -73.1 | 173.1 | -169.8 | 0 | 0 | 111.1 | K10 Q11 Q16 S17 Q18 | K10-E14 WeakPolarHBondContact CE-OE1 3.46Å; K10-E14 IonicContact NZ-OE1 3.23Å; K10-E14 WeakPolarHBondContact O-CG 3.45Å; K10-E14 PolarHBondContact O-N 3.1Å; Q11-E14 PolarHBondContact O-N 3.18Å; E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 3.45Å; E14-S17 PolarHBondContact O-N 3.09Å; E14-Q18 WeakPolarHBondContact O-CG 3.49Å; E14-Q18 PolarHBondContact O-N 3.1Å |
| 15 | V | 88.5 | Confident | 84 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | Q11 I12 S17 Q18 M19 L37 R40 I41 I44 L80 | Q11-V15 WeakPolarHBondContact O-CG2 3.22Å; Q11-V15 PolarHBondContact O-N 3.47Å; I12-V15 PolarHBondContact O-N 3.42Å; V15-S17 PolarHBondContact O-N 3.48Å; V15-Q18 PolarHBondContact O-N 3.5Å; V15-M19 HydrophobicContact CG1-CE 4.45Å; V15-M19 WeakPolarHBondContact O-CB 3.35Å; V15-M19 PolarHBondContact O-N 2.83Å; V15-L37 HydrophobicContact CB-CD2 4.24Å; V15-L37 HydrophobicContact CG1-CD2 3.84Å; V15-L37 HydrophobicContact CG2-CD2 4.25Å; V15-R40 HydrophobicContact CG2-CB 3.98Å; V15-I41 HydrophobicContact CG1-CD1 4.15Å; V15-I41 HydrophobicContact CG1-CG1 3.89Å; V15-I44 HydrophobicContact CG2-CD1 3.78Å; V15-L80 HydrophobicContact CG1-CD1 4.12Å |
| 16 | Q | 85.7 | Confident | 83.6 | Confident | 85 Ų | 85 | 73.2 Ų | 73.2 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 174.8 | -79.6 | 174.6 | -4.7 | 0 | 0 | 112.4 | I12 Q13 E14 M19 G20 L80 | I12-Q16 WeakPolarHBondContact O-CG 3.25Å; I12-Q16 PolarHBondContact O-N 3.43Å; Q13-Q16 PolarHBondContact O-N 3.28Å; E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 3.45Å; Q16-M19 WeakPolarHBondContact O-CB 3.5Å; Q16-M19 PolarHBondContact O-N 3.16Å; Q16-G20 PolarHBondContact O-N 3.4Å; Q16-L80 HydrophobicContact CB-CD2 4.44Å; Q16-L80 HydrophobicContact CG-CD1 3.85Å; Q16-L80 HydrophobicContact CG-CD2 3.44Å; Q16-L80 VanDerWaalsContact CG-CD2 3.44Å; Q16-L80 HydrophobicContact CG-CG 4.15Å |
| 17 | S | 86.4 | Confident | 82.8 | Confident | 75 Ų | 75 | 75 Ų | 75 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | Q13 E14 V15 M19 G20 N21 | Q13-S17 PolarHBondContact O-N 2.97Å; E14-S17 PolarHBondContact O-N 3.09Å; V15-S17 PolarHBondContact O-N 3.48Å; S17-M19 VanDerWaalsContact C-N 3.29Å; S17-M19 PolarHBondContact O-N 3.4Å; S17-G20 PolarHBondContact O-N 2.87Å; S17-N21 PolarHBondContact O-N 3.33Å; S17-N21 PolarHBondContact O-ND2 2.94Å |
| 18 | Q | 84.1 | Confident | 82 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 20% | 0.201 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 174.7 | -72.6 | -178.9 | -41.2 | 0 | 0 | 111.8 | E14 V15 N21 L22 L37 | E14-Q18 WeakPolarHBondContact O-CG 3.49Å; E14-Q18 PolarHBondContact O-N 3.1Å; V15-Q18 PolarHBondContact O-N 3.5Å; Q18-N21 PolarHBondContact O-N 2.92Å; Q18-N21 VanDerWaalsContact O-N 3.11Å; Q18-L22 PolarHBondContact O-N 2.91Å; Q18-L37 HydrophobicContact CB-CD1 4.32Å; Q18-L37 HydrophobicContact CB-CD2 3.62Å; Q18-L37 HydrophobicContact CB-CG 4.37Å |
| 19 | M | 79.9 | Confident | 81.7 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 174.4 | -159 | 85.8 | 75.7 | 0 | 0 | 112.5 | V15 Q16 S17 N21 L22 L37 I41 L80 L84 | V15-M19 HydrophobicContact CG1-CE 4.45Å; V15-M19 WeakPolarHBondContact O-CB 3.35Å; V15-M19 PolarHBondContact O-N 2.83Å; Q16-M19 WeakPolarHBondContact O-CB 3.5Å; Q16-M19 PolarHBondContact O-N 3.16Å; S17-M19 VanDerWaalsContact C-N 3.29Å; S17-M19 PolarHBondContact O-N 3.4Å; M19-N21 PolarHBondContact O-N 3.39Å; M19-L22 HydrophobicContact CG-CD1 4.28Å; M19-L22 WeakPolarHBondContact O-CB 3.48Å; M19-L22 PolarHBondContact O-N 3.41Å; M19-L22 HydrophobicContact SD-CD1 3.56Å; M19-L22 VanDerWaalsContact SD-CD1 3.56Å; M19-L37 HydrophobicContact SD-CD1 4.41Å; M19-I41 HydrophobicContact CE-CD1 4.35Å; M19-L80 HydrophobicContact CE-CB 4.36Å; M19-L80 HydrophobicContact CE-CD2 4.08Å; M19-L80 WeakPolarHBondContact CE-O 3.31Å; M19-L84 HydrophobicContact CE-CB 3.81Å; M19-L84 HydrophobicContact CE-CD1 4.4Å; M19-L84 HydrophobicContact SD-CB 4.07Å; M19-L84 HydrophobicContact SD-CD1 3.79Å |
| 20 | G | 81.1 | Confident | 81.3 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -27.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q16 S17 | Q16-G20 PolarHBondContact O-N 3.4Å; S17-G20 PolarHBondContact O-N 2.87Å |
| 21 | N | 79.3 | Confident | 80.9 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -83.2 | -19.6 | 177.2 | -65.2 | -25.9 | 0 | 0 | 0 | 113.2 | S17 Q18 M19 E23 R24 T25 | S17-N21 PolarHBondContact O-N 3.33Å; S17-N21 PolarHBondContact O-ND2 2.94Å; Q18-N21 PolarHBondContact O-N 2.92Å; Q18-N21 VanDerWaalsContact O-N 3.11Å; M19-N21 PolarHBondContact O-N 3.39Å; N21-E23 PolarHBondContact O-N 2.99Å; N21-R24 PolarHBondContact O-N 3.37Å; N21-T25 PolarHBondContact O-N 3.23Å; N21-T25 PolarHBondContact O-OG1 3.29Å |
| 22 | L | 77.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56 | -36.3 | 175.5 | -91.8 | 167.8 | 0 | 0 | 0 | 112.1 | Q18 M19 R24 V30 L33 E34 L37 L84 F87 | Q18-L22 PolarHBondContact O-N 2.91Å; M19-L22 HydrophobicContact CG-CD1 4.28Å; M19-L22 WeakPolarHBondContact O-CB 3.48Å; M19-L22 PolarHBondContact O-N 3.41Å; M19-L22 HydrophobicContact SD-CD1 3.56Å; M19-L22 VanDerWaalsContact SD-CD1 3.56Å; L22-R24 PolarHBondContact O-N 2.76Å; L22-V30 HydrophobicContact CD2-CG1 4.02Å; L22-L33 HydrophobicContact CD2-CB 4.09Å; L22-L33 HydrophobicContact CD2-CD2 3.73Å; L22-L33 HydrophobicContact CD2-CG 3.95Å; L22-L33 HydrophobicContact CG-CD2 3.78Å; L22-L33 HydrophobicContact CG-CG 4.2Å; L22-E34 HydrophobicContact CD2-CG 3.77Å; L22-L37 HydrophobicContact CD1-CD1 3.26Å; L22-L37 HydrophobicContact CD2-CD1 4.37Å; L22-L37 HydrophobicContact CG-CD1 3.76Å; L22-L84 HydrophobicContact CD1-CD1 3.92Å; L22-F87 HydrophobicContact CB-CE1 4.33Å; L22-F87 HydrophobicContact CB-CZ 4.15Å; L22-F87 HydrophobicContact CD2-CE1 4.15Å |
| 23 | E | 70.3 | Confident | 80.5 | Confident | 157 Ų | 157 | 81.4 Ų | 81.4 | 73% | 0.734 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.8 | 178.5 | -64.4 | -170.2 | 162 | 0 | 0 | 113.6 | N21 F87 | N21-E23 PolarHBondContact O-N 2.99Å; E23-F87 HydrophobicContact CG-CE2 4.11Å |
| 24 | R | 76 | Confident | 80.4 | Confident | 218 Ų | 218 | 76.3 Ų | 76.3 | 82% | 0.823 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -6.4 | -175.3 | -66.9 | 179.5 | 137.8 | 179.3 | -4.5 | 113.8 | N21 L22 | N21-R24 PolarHBondContact O-N 3.37Å; L22-R24 PolarHBondContact O-N 2.76Å |
| 25 | T | 76.4 | Confident | 80.3 | Confident | 48 Ų | 48 | 77.8 Ų | 77.8 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -89.3 | 148.2 | -171.9 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | N21 S29 V30 | N21-T25 PolarHBondContact O-N 3.23Å; N21-T25 PolarHBondContact O-OG1 3.29Å; T25-S29 WeakPolarHBondContact CG2-OG 3.44Å; T25-V30 HydrophobicContact CG2-CG2 4.01Å; T25-V30 WeakPolarHBondContact O-CG2 3.38Å |
| 26 | D | 76.1 | Confident | 80.3 | Confident | 132 Ų | 132 | 81.6 Ų | 81.6 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | trans | -65.2 | 146.7 | -178.4 | -85.9 | -31.7 | 0 | 0 | 0 | 112.8 | E28 S29 V30 | D26-E28 VanDerWaalsContact C-N 3.26Å; D26-E28 PolarHBondContact O-N 2.99Å; D26-S29 PolarHBondContact N-OG 3.11Å; D26-S29 PolarHBondContact O-N 2.69Å; D26-S29 PolarHBondContact O-OG 2.73Å; D26-V30 VanDerWaalsContact O-CG2 3.27Å; D26-V30 WeakPolarHBondContact O-CG2 3.19Å; D26-V30 PolarHBondContact O-N 3.26Å | ||
| 27 | R | 70.3 | Confident | 80.5 | Confident | 156 Ų | 156 | 77.6 Ų | 77.6 | 59% | 0.589 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -46.2 | -41.8 | -174.1 | -108.1 | 179.9 | 167.9 | 178.7 | -4.3 | 114.3 | H31 D98 | R27-H31 PolarHBondContact O-CD2 2.88Å; R27-H31 VanDerWaalsContact O-CD2 3.24Å; R27-D98 IonicContact CZ-OD2 3.28Å; R27-D98 IonicContact NH1-OD2 3.57Å; R27-D98 IonicContact NH2-OD2 2.72Å; R27-D98 PolarHBondContact NH2-OD2 3.25Å |
| 28 | E | 70.9 | Confident | 80.6 | Confident | 174 Ų | 174 | 77.1 Ų | 77.1 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.9 | -40.7 | -179.1 | -66.5 | -175.5 | 162.9 | 0 | 0 | 112.6 | D26 | D26-E28 VanDerWaalsContact C-N 3.26Å; D26-E28 PolarHBondContact O-N 2.99Å |
| 29 | S | 78.8 | Confident | 80.8 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -76 | -21.2 | 179.4 | 49.9 | 0 | 0 | 0 | 0 | 114 | T25 D26 H31 L32 L33 | T25-S29 WeakPolarHBondContact CG2-OG 3.44Å; D26-S29 PolarHBondContact N-OG 3.11Å; D26-S29 PolarHBondContact O-N 2.69Å; D26-S29 PolarHBondContact O-OG 2.73Å; S29-H31 VanDerWaalsContact C-N 3.34Å; S29-H31 PolarHBondContact O-N 2.85Å; S29-L32 PolarHBondContact O-N 3.42Å; S29-L33 PolarHBondContact O-N 3.19Å; S29-L33 VanDerWaalsContact O-N 3.1Å |
| 30 | V | 81.7 | Confident | 81.3 | Confident | 8 Ų | 8 | 80 Ų | 80 | 5% | 0.048 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 177.4 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | L22 T25 D26 L32 L33 E34 F87 | L22-V30 HydrophobicContact CD2-CG1 4.02Å; T25-V30 HydrophobicContact CG2-CG2 4.01Å; T25-V30 WeakPolarHBondContact O-CG2 3.38Å; D26-V30 VanDerWaalsContact O-CG2 3.27Å; D26-V30 WeakPolarHBondContact O-CG2 3.19Å; D26-V30 PolarHBondContact O-N 3.26Å; V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 3.38Å; V30-L33 PolarHBondContact O-N 2.95Å; V30-E34 HydrophobicContact CG1-CG 4.23Å; V30-E34 WeakPolarHBondContact O-CB 3.28Å; V30-E34 VanDerWaalsContact O-CG 3.28Å; V30-E34 WeakPolarHBondContact O-CG 3.32Å; V30-E34 PolarHBondContact O-N 2.86Å; V30-F87 HydrophobicContact CG1-CE1 3.79Å; V30-F87 HydrophobicContact CG1-CZ 4.35Å |
| 31 | H | 81.4 | Confident | 81.6 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 178.2 | -68.9 | -95.5 | 0 | 0 | 0 | 112.8 | R27 S29 N35 R91 E95 | R27-H31 PolarHBondContact O-CD2 2.88Å; R27-H31 VanDerWaalsContact O-CD2 3.24Å; S29-H31 VanDerWaalsContact C-N 3.34Å; S29-H31 PolarHBondContact O-N 2.85Å; H31-N35 PolarHBondContact O-N 3.46Å; H31-N35 PolarHBondContact O-ND2 2.88Å; H31-N35 VanDerWaalsContact O-ND2 3.11Å; H31-R91 PolarHBondContact CD2-NH1 3.32Å; H31-R91 PolarHBondContact CE1-NH1 3.31Å; H31-R91 PolarHBondContact CE1-NH2 3.45Å; H31-R91 PolarHBondContact ND1-NH1 2.85Å; H31-R91 PolarHBondContact ND1-NH2 2.9Å; H31-R91 VanDerWaalsContact NE2-CZ 3.35Å; H31-R91 PolarHBondContact NE2-NH1 2.98Å; H31-R91 VanDerWaalsContact NE2-NH1 3.17Å; H31-E95 IonicContact CE1-OE1 3.45Å; H31-E95 PolarHBondContact CE1-OE1 3.39Å; H31-E95 IonicContact NE2-OE1 3.13Å; H31-E95 PolarHBondContact NE2-OE1 3.03Å; H31-E95 VanDerWaalsContact NE2-OE1 3.13Å |
| 32 | L | 84.7 | Confident | 82 | Confident | 129 Ų | 129 | 78 Ų | 78 | 68% | 0.675 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.7 | -43.3 | 179.1 | -65.5 | 174.1 | 0 | 0 | 0 | 110.8 | S29 V30 N35 E36 | S29-L32 PolarHBondContact O-N 3.42Å; V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 3.38Å; L32-N35 PolarHBondContact O-N 2.88Å; L32-E36 PolarHBondContact O-N 3.44Å |
| 33 | L | 84.9 | Confident | 82.6 | Confident | 30 Ų | 30 | 83.1 Ų | 83.1 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 178.3 | -173 | 63.7 | 0 | 0 | 0 | 112 | L22 S29 V30 E36 L37 | L22-L33 HydrophobicContact CD2-CB 4.09Å; L22-L33 HydrophobicContact CD2-CD2 3.73Å; L22-L33 HydrophobicContact CD2-CG 3.95Å; L22-L33 HydrophobicContact CG-CD2 3.78Å; L22-L33 HydrophobicContact CG-CG 4.2Å; S29-L33 PolarHBondContact O-N 3.19Å; S29-L33 VanDerWaalsContact O-N 3.1Å; V30-L33 PolarHBondContact O-N 2.95Å; L33-E36 PolarHBondContact O-N 3.17Å; L33-L37 HydrophobicContact CD1-CD1 4.49Å; L33-L37 HydrophobicContact CG-CD1 4.01Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 3.46Å |
| 34 | E | 85.2 | Confident | 83.4 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.028 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | 174.5 | -75.9 | 171.2 | 161 | 0 | 0 | 111.9 | L22 V30 E36 L37 Q38 L84 F87 Q88 R91 | L22-E34 HydrophobicContact CD2-CG 3.77Å; V30-E34 HydrophobicContact CG1-CG 4.23Å; V30-E34 WeakPolarHBondContact O-CB 3.28Å; V30-E34 VanDerWaalsContact O-CG 3.28Å; V30-E34 WeakPolarHBondContact O-CG 3.32Å; V30-E34 PolarHBondContact O-N 2.86Å; E34-E36 VanDerWaalsContact C-N 3.35Å; E34-L37 PolarHBondContact O-N 3.35Å; E34-Q38 WeakPolarHBondContact O-CB 3.35Å; E34-Q38 PolarHBondContact O-N 3Å; E34-L84 HydrophobicContact CB-CD1 4.49Å; E34-L84 HydrophobicContact CG-CD1 4.23Å; E34-F87 WeakPolarHBondContact OE1-CD1 3.27Å; E34-F87 VanDerWaalsContact OE1-CE1 3.27Å; E34-F87 WeakPolarHBondContact OE1-CE1 3.2Å; E34-Q88 HydrophobicContact CG-CG 4.26Å; E34-R91 IonicContact OE1-CZ 2.88Å; E34-R91 IonicContact OE1-NH1 3.7Å; E34-R91 IonicContact OE2-CZ 2.73Å; E34-R91 VanDerWaalsContact OE2-CZ 3.26Å; E34-R91 IonicContact OE2-NH1 3.46Å; E34-R91 PolarHBondContact OE2-NH1 2.9Å; E34-R91 IonicContact OE2-NH2 3.65Å; E34-R91 PolarHBondContact OE2-NH2 3.38Å |
| 35 | N | 87 | Confident | 83.9 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 177.7 | -77.9 | -41.8 | 0 | 0 | 0 | 111.6 | H31 L32 Q38 A39 | H31-N35 PolarHBondContact O-N 3.46Å; H31-N35 PolarHBondContact O-ND2 2.88Å; H31-N35 VanDerWaalsContact O-ND2 3.11Å; L32-N35 PolarHBondContact O-N 2.88Å; N35-Q38 PolarHBondContact O-N 2.72Å; N35-A39 PolarHBondContact O-N 3.18Å |
| 36 | E | 88.8 | Confident | 84.4 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 174.6 | -169.8 | -172 | 160.5 | 0 | 0 | 111.4 | L32 L33 E34 Q38 A39 R40 | L32-E36 PolarHBondContact O-N 3.44Å; L33-E36 PolarHBondContact O-N 3.17Å; E34-E36 VanDerWaalsContact C-N 3.35Å; E36-Q38 VanDerWaalsContact C-N 3.32Å; E36-Q38 PolarHBondContact O-N 2.87Å; E36-A39 PolarHBondContact O-N 3.41Å; E36-R40 WeakPolarHBondContact O-CB 3.25Å; E36-R40 WeakPolarHBondContact O-CG 3.5Å; E36-R40 PolarHBondContact O-N 2.89Å; E36-R40 IonicContact OE1-CZ 3.76Å; E36-R40 VanDerWaalsContact OE1-CZ 3.23Å; E36-R40 IonicContact OE1-NE 2.69Å; E36-R40 PolarHBondContact OE1-NE 3.41Å; E36-R40 IonicContact OE1-NH2 3.62Å; E36-R40 PolarHBondContact OE1-NH2 3.21Å |
| 37 | L | 88.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 178.1 | -79.8 | 166.2 | 0 | 0 | 0 | 112 | V15 Q18 M19 L22 L33 E34 R40 I41 L84 | V15-L37 HydrophobicContact CB-CD2 4.24Å; V15-L37 HydrophobicContact CG1-CD2 3.84Å; V15-L37 HydrophobicContact CG2-CD2 4.25Å; Q18-L37 HydrophobicContact CB-CD1 4.32Å; Q18-L37 HydrophobicContact CB-CD2 3.62Å; Q18-L37 HydrophobicContact CB-CG 4.37Å; M19-L37 HydrophobicContact SD-CD1 4.41Å; L22-L37 HydrophobicContact CD1-CD1 3.26Å; L22-L37 HydrophobicContact CD2-CD1 4.37Å; L22-L37 HydrophobicContact CG-CD1 3.76Å; L33-L37 HydrophobicContact CD1-CD1 4.49Å; L33-L37 HydrophobicContact CG-CD1 4.01Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 3.46Å; E34-L37 PolarHBondContact O-N 3.35Å; L37-R40 PolarHBondContact O-N 3.45Å; L37-I41 WeakPolarHBondContact O-CB 3.38Å; L37-I41 VanDerWaalsContact O-CG1 3.25Å; L37-I41 WeakPolarHBondContact O-CG1 3.32Å; L37-I41 PolarHBondContact O-N 3.02Å; L37-L84 HydrophobicContact CB-CD1 4.47Å; L37-L84 HydrophobicContact CB-CD2 4.19Å |
| 38 | Q | 89.1 | Confident | 85.4 | Confident | 66 Ų | 66 | 59 Ų | 59 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.4 | -167.3 | 145.9 | -23 | 0 | 0 | 111.3 | E34 N35 E36 R40 I41 D42 L84 | E34-Q38 WeakPolarHBondContact O-CB 3.35Å; E34-Q38 PolarHBondContact O-N 3Å; N35-Q38 PolarHBondContact O-N 2.72Å; E36-Q38 VanDerWaalsContact C-N 3.32Å; E36-Q38 PolarHBondContact O-N 2.87Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 2.91Å; Q38-I41 PolarHBondContact O-N 3.44Å; Q38-D42 PolarHBondContact O-N 3.47Å; Q38-L84 HydrophobicContact CB-CD2 3.98Å |
| 39 | A | 88.8 | Confident | 86 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N35 E36 D42 Q43 | N35-A39 PolarHBondContact O-N 3.18Å; E36-A39 PolarHBondContact O-N 3.41Å; A39-D42 PolarHBondContact O-N 3.31Å; A39-Q43 WeakPolarHBondContact O-CG 3.29Å; A39-Q43 PolarHBondContact O-N 3.22Å |
| 40 | R | 89.6 | Confident | 86.2 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 175.3 | -74.6 | 174.9 | 179.2 | -104.8 | 3 | 112.1 | V15 E36 L37 Q38 D42 Q43 I44 | V15-R40 HydrophobicContact CG2-CB 3.98Å; E36-R40 WeakPolarHBondContact O-CB 3.25Å; E36-R40 WeakPolarHBondContact O-CG 3.5Å; E36-R40 PolarHBondContact O-N 2.89Å; E36-R40 IonicContact OE1-CZ 3.76Å; E36-R40 VanDerWaalsContact OE1-CZ 3.23Å; E36-R40 IonicContact OE1-NE 2.69Å; E36-R40 PolarHBondContact OE1-NE 3.41Å; E36-R40 IonicContact OE1-NH2 3.62Å; E36-R40 PolarHBondContact OE1-NH2 3.21Å; L37-R40 PolarHBondContact O-N 3.45Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 2.91Å; R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.11Å; R40-Q43 PolarHBondContact O-N 3.39Å; R40-I44 VanDerWaalsContact O-CG1 3.25Å; R40-I44 WeakPolarHBondContact O-CG1 3.2Å; R40-I44 PolarHBondContact O-N 3.18Å |
| 41 | I | 88.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.1 | -72.9 | 168.3 | 0 | 0 | 0 | 110.7 | V15 M19 L37 Q38 I44 F45 V77 L80 R81 L84 | V15-I41 HydrophobicContact CG1-CD1 4.15Å; V15-I41 HydrophobicContact CG1-CG1 3.89Å; M19-I41 HydrophobicContact CE-CD1 4.35Å; L37-I41 WeakPolarHBondContact O-CB 3.38Å; L37-I41 VanDerWaalsContact O-CG1 3.25Å; L37-I41 WeakPolarHBondContact O-CG1 3.32Å; L37-I41 PolarHBondContact O-N 3.02Å; Q38-I41 PolarHBondContact O-N 3.44Å; I41-I44 PolarHBondContact O-N 3.11Å; I41-F45 PolarHBondContact O-N 3.43Å; I41-V77 HydrophobicContact CG2-CG1 4.19Å; I41-L80 HydrophobicContact CD1-CB 4.41Å; I41-R81 HydrophobicContact CG2-CB 4.22Å; I41-L84 HydrophobicContact CD1-CD2 3.93Å |
| 42 | D | 87.6 | Confident | 86.4 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.8 | -70.9 | -27.5 | 0 | 0 | 0 | 111.7 | Q38 A39 R40 I44 F45 T46 | Q38-D42 PolarHBondContact O-N 3.47Å; A39-D42 PolarHBondContact O-N 3.31Å; R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.11Å; D42-I44 PolarHBondContact O-N 3.28Å; D42-F45 WeakPolarHBondContact O-CB 3.41Å; D42-F45 PolarHBondContact O-N 2.84Å; D42-F45 VanDerWaalsContact O-N 3.17Å; D42-T46 PolarHBondContact O-N 3.04Å; D42-T46 VanDerWaalsContact O-N 3.08Å; D42-T46 PolarHBondContact O-OG1 2.87Å |
| 43 | Q | 89.6 | Confident | 86.4 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 172.8 | -73.6 | 178.6 | -4 | 0 | 0 | 112.5 | A39 R40 F45 T46 H47 | A39-Q43 WeakPolarHBondContact O-CG 3.29Å; A39-Q43 PolarHBondContact O-N 3.22Å; R40-Q43 PolarHBondContact O-N 3.39Å; Q43-F45 PolarHBondContact O-N 3.42Å; Q43-T46 PolarHBondContact O-N 2.96Å; Q43-H47 PolarHBondContact O-N 3.33Å |
| 44 | I | 87.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -37.5 | 175.9 | -70 | 166.5 | 0 | 0 | 0 | 110.4 | T8 Q11 I12 V15 R40 I41 D42 H47 L48 V77 | T8-I44 HydrophobicContact CG2-CG2 3.82Å; Q11-I44 HydrophobicContact CB-CD1 3.82Å; Q11-I44 HydrophobicContact CB-CG1 3.82Å; I12-I44 HydrophobicContact CD1-CG2 4.28Å; I12-I44 HydrophobicContact CG1-CD1 4.25Å; I12-I44 HydrophobicContact CG1-CG2 3.88Å; V15-I44 HydrophobicContact CG2-CD1 3.78Å; R40-I44 VanDerWaalsContact O-CG1 3.25Å; R40-I44 WeakPolarHBondContact O-CG1 3.2Å; R40-I44 PolarHBondContact O-N 3.18Å; I41-I44 PolarHBondContact O-N 3.11Å; D42-I44 PolarHBondContact O-N 3.28Å; I44-H47 WeakPolarHBondContact O-CB 3.27Å; I44-H47 PolarHBondContact O-N 3.4Å; I44-L48 HydrophobicContact CG2-CD1 4.28Å; I44-L48 PolarHBondContact O-N 2.99Å; I44-V77 HydrophobicContact CG2-CG1 4.27Å; I44-V77 HydrophobicContact CG2-CG2 3.43Å; I44-V77 VanDerWaalsContact CG2-CG2 3.43Å |
| 45 | F | 85.8 | Confident | 86.1 | Confident | 61 Ų | 61 | 62 Ų | 62 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 176.8 | -154.7 | -87.2 | 0 | 0 | 0 | 111.7 | I41 D42 Q43 H47 L48 E49 V77 | I41-F45 PolarHBondContact O-N 3.43Å; D42-F45 WeakPolarHBondContact O-CB 3.41Å; D42-F45 PolarHBondContact O-N 2.84Å; D42-F45 VanDerWaalsContact O-N 3.17Å; Q43-F45 PolarHBondContact O-N 3.42Å; F45-H47 VanDerWaalsContact C-N 3.29Å; F45-H47 PolarHBondContact O-N 3.33Å; F45-L48 WeakPolarHBondContact O-CB 3.36Å; F45-L48 PolarHBondContact O-N 2.98Å; F45-L48 VanDerWaalsContact O-N 3.09Å; F45-E49 HydrophobicContact CD1-CG 4.19Å; F45-E49 HydrophobicContact CE1-CG 4.22Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.25Å; F45-E49 PolarHBondContact O-N 3.03Å; F45-V77 HydrophobicContact CD2-CG1 4.27Å |
| 46 | T | 86.9 | Confident | 85.8 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 53% | 0.534 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 173.5 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | D42 Q43 L48 E49 R50 | D42-T46 PolarHBondContact O-N 3.04Å; D42-T46 VanDerWaalsContact O-N 3.08Å; D42-T46 PolarHBondContact O-OG1 2.87Å; Q43-T46 PolarHBondContact O-N 2.96Å; T46-L48 VanDerWaalsContact C-N 3.33Å; T46-E49 PolarHBondContact O-N 3.49Å; T46-R50 PolarHBondContact O-N 3.23Å; T46-R50 VanDerWaalsContact O-N 3.15Å |
| 47 | H | 84.7 | Confident | 85.6 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 174.3 | -68.6 | 171.6 | 0 | 0 | 0 | 112.2 | T8 Q11 Q43 I44 F45 R50 L51 | T8-H47 HydrophobicContact CG2-CB 4.44Å; Q11-H47 PolarHBondContact OE1-CE1 3.23Å; Q11-H47 PolarHBondContact OE1-ND1 2.88Å; Q43-H47 PolarHBondContact O-N 3.33Å; I44-H47 WeakPolarHBondContact O-CB 3.27Å; I44-H47 PolarHBondContact O-N 3.4Å; F45-H47 VanDerWaalsContact C-N 3.29Å; F45-H47 PolarHBondContact O-N 3.33Å; H47-R50 PolarHBondContact O-N 3.44Å; H47-L51 WeakPolarHBondContact O-CB 3.25Å; H47-L51 PolarHBondContact O-N 2.97Å |
| 48 | L | 82.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176 | -82.6 | 168 | 0 | 0 | 0 | 112.8 | T8 I44 F45 T46 R50 L51 E52 L73 V77 | T8-L48 HydrophobicContact CG2-CD2 4.35Å; T8-L48 HydrophobicContact CG2-CG 4.13Å; I44-L48 HydrophobicContact CG2-CD1 4.28Å; I44-L48 PolarHBondContact O-N 2.99Å; F45-L48 WeakPolarHBondContact O-CB 3.36Å; F45-L48 PolarHBondContact O-N 2.98Å; F45-L48 VanDerWaalsContact O-N 3.09Å; T46-L48 VanDerWaalsContact C-N 3.33Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 PolarHBondContact O-N 3.44Å; L48-L51 HydrophobicContact CD2-CD2 4.39Å; L48-L51 CarbonylContact O-C 3.55Å; L48-L51 WeakPolarHBondContact O-CB 3.38Å; L48-L51 PolarHBondContact O-N 2.99Å; L48-L51 VanDerWaalsContact O-N 3.11Å; L48-E52 WeakPolarHBondContact O-CB 3.36Å; L48-E52 PolarHBondContact O-N 2.9Å; L48-L73 HydrophobicContact CD1-CB 4.47Å; L48-L73 HydrophobicContact CD2-CB 3.53Å; L48-L73 HydrophobicContact CD2-CD2 4.18Å; L48-V77 HydrophobicContact CD1-CB 4.02Å; L48-V77 HydrophobicContact CD1-CG1 4.39Å; L48-V77 HydrophobicContact CD1-CG2 3.68Å |
| 49 | E | 84.9 | Confident | 84.9 | Confident | 102 Ų | 102 | 66.1 Ų | 66.1 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 174.6 | -70.9 | 179.4 | 170 | 0 | 0 | 111.1 | F45 T46 L51 E52 I53 | F45-E49 HydrophobicContact CD1-CG 4.19Å; F45-E49 HydrophobicContact CE1-CG 4.22Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.25Å; F45-E49 PolarHBondContact O-N 3.03Å; T46-E49 PolarHBondContact O-N 3.49Å; E49-L51 VanDerWaalsContact C-N 3.34Å; E49-L51 PolarHBondContact O-N 3.34Å; E49-E52 PolarHBondContact O-N 3.38Å; E49-I53 WeakPolarHBondContact O-CG1 3.38Å; E49-I53 PolarHBondContact O-N 2.9Å; E49-I53 VanDerWaalsContact O-N 3.15Å |
| 50 | R | 82.6 | Confident | 84.2 | Confident | 169 Ų | 169 | 68.2 Ų | 68.2 | 64% | 0.638 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 174.5 | -170 | 172.7 | -176.1 | 172.3 | 1.1 | 112 | L4 T46 H47 L48 I53 L54 | L4-R50 HydrophobicContact CD2-CB 4.31Å; L4-R50 HydrophobicContact CD2-CG 4.2Å; T46-R50 PolarHBondContact O-N 3.23Å; T46-R50 VanDerWaalsContact O-N 3.15Å; H47-R50 PolarHBondContact O-N 3.44Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 PolarHBondContact O-N 3.44Å; R50-I53 PolarHBondContact O-N 3.19Å; R50-L54 WeakPolarHBondContact O-CG 3.46Å; R50-L54 PolarHBondContact O-N 3.24Å |
| 51 | L | 83.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68 | -35.5 | 177.5 | -166.7 | 70 | 0 | 0 | 0 | 111.8 | M1 L4 Y5 H47 L48 E49 L54 A55 V70 | M1-L51 HydrophobicContact CG-CD1 4.06Å; M1-L51 WeakPolarHBondContact O-CD1 3.4Å; M1-L51 HydrophobicContact SD-CD1 4.29Å; L4-L51 HydrophobicContact CB-CD1 4.03Å; L4-L51 HydrophobicContact CD2-CB 4.12Å; L4-L51 HydrophobicContact CD2-CD1 3.97Å; L4-L51 HydrophobicContact CG-CD1 4.13Å; Y5-L51 HydrophobicContact CD2-CD2 4.09Å; H47-L51 WeakPolarHBondContact O-CB 3.25Å; H47-L51 PolarHBondContact O-N 2.97Å; L48-L51 HydrophobicContact CD2-CD2 4.39Å; L48-L51 CarbonylContact O-C 3.55Å; L48-L51 WeakPolarHBondContact O-CB 3.38Å; L48-L51 PolarHBondContact O-N 2.99Å; L48-L51 VanDerWaalsContact O-N 3.11Å; E49-L51 VanDerWaalsContact C-N 3.34Å; E49-L51 PolarHBondContact O-N 3.34Å; L51-L54 PolarHBondContact O-N 3.31Å; L51-A55 VanDerWaalsContact O-CB 3.3Å; L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.4Å; L51-V70 HydrophobicContact CB-CG2 4.44Å; L51-V70 HydrophobicContact CD2-CG2 3.77Å; L51-V70 HydrophobicContact CG-CG2 3.74Å |
| 52 | E | 82.3 | Confident | 83.4 | Confident | 96 Ų | 96 | 79.1 Ų | 79.1 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.5 | -173.9 | 172.1 | -179.9 | 0 | 0 | 111.2 | L48 E49 L54 A55 S56 V70 | L48-E52 WeakPolarHBondContact O-CB 3.36Å; L48-E52 PolarHBondContact O-N 2.9Å; E49-E52 PolarHBondContact O-N 3.38Å; E52-L54 PolarHBondContact O-N 2.73Å; E52-A55 PolarHBondContact O-N 2.82Å; E52-S56 PolarHBondContact O-N 3.39Å; E52-V70 HydrophobicContact CB-CG1 4.13Å |
| 53 | I | 85.7 | Confident | 83.1 | Confident | 93 Ų | 93 | 81 Ų | 81 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 173.5 | -64.5 | 166.5 | 0 | 0 | 0 | 110.3 | E49 R50 S56 K57 | E49-I53 WeakPolarHBondContact O-CG1 3.38Å; E49-I53 PolarHBondContact O-N 2.9Å; E49-I53 VanDerWaalsContact O-N 3.15Å; R50-I53 PolarHBondContact O-N 3.19Å; I53-S56 PolarHBondContact O-N 2.9Å; I53-S56 PolarHBondContact O-OG 3.21Å; I53-K57 HydrophobicContact CG2-CD 4.39Å; I53-K57 WeakPolarHBondContact O-CG 3.47Å; I53-K57 PolarHBondContact O-N 3.38Å |
| 54 | L | 82.2 | Confident | 82.7 | Confident | 62 Ų | 62 | 79.6 Ų | 79.6 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.9 | -69.9 | 174.1 | 0 | 0 | 0 | 112.2 | M1 L4 R50 L51 E52 S56 K57 E58 | M1-L54 HydrophobicContact CG-CB 4.42Å; L4-L54 HydrophobicContact CD2-CD1 3.96Å; R50-L54 WeakPolarHBondContact O-CG 3.46Å; R50-L54 PolarHBondContact O-N 3.24Å; L51-L54 PolarHBondContact O-N 3.31Å; E52-L54 PolarHBondContact O-N 2.73Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 2.98Å; L54-K57 PolarHBondContact O-N 2.97Å; L54-K57 VanDerWaalsContact O-N 3.15Å; L54-E58 PolarHBondContact O-N 3.35Å |
| 55 | A | 80.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 83.4 Ų | 83.4 | 1% | 0.008 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L51 E52 K57 E58 A66 V70 | L51-A55 VanDerWaalsContact O-CB 3.3Å; L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.4Å; E52-A55 PolarHBondContact O-N 2.82Å; A55-K57 VanDerWaalsContact C-N 3.25Å; A55-K57 PolarHBondContact O-N 3.49Å; A55-E58 PolarHBondContact O-N 2.93Å; A55-A66 HydrophobicContact CB-CB 3.97Å; A55-V70 HydrophobicContact CB-CG2 3.93Å |
| 56 | S | 80.1 | Confident | 82.4 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 42% | 0.42 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.1 | -27.8 | 175.8 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | E52 I53 L54 | E52-S56 PolarHBondContact O-N 3.39Å; I53-S56 PolarHBondContact O-N 2.9Å; I53-S56 PolarHBondContact O-OG 3.21Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 2.98Å |
| 57 | K | 85.1 | Confident | 82.3 | Confident | 160 Ų | 160 | 81.8 Ų | 81.8 | 70% | 0.696 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.5 | -178.1 | -68.2 | 178.1 | 179.1 | -175.4 | 0 | 113.8 | I53 L54 A55 | I53-K57 HydrophobicContact CG2-CD 4.39Å; I53-K57 WeakPolarHBondContact O-CG 3.47Å; I53-K57 PolarHBondContact O-N 3.38Å; L54-K57 PolarHBondContact O-N 2.97Å; L54-K57 VanDerWaalsContact O-N 3.15Å; A55-K57 VanDerWaalsContact C-N 3.25Å; A55-K57 PolarHBondContact O-N 3.49Å |
| 58 | E | 82.1 | Confident | 82.4 | Confident | 43 Ų | 43 | 83.9 Ų | 83.9 | 20% | 0.201 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -74.7 | 153.3 | 178.5 | -76.5 | -158 | 172.5 | 0 | 0 | 113.4 | M1 L54 A55 R63 A66 | M1-E58 VanDerWaalsContact CB-OE1 3.25Å; M1-E58 WeakPolarHBondContact CB-OE1 3.44Å; M1-E58 WeakPolarHBondContact CE-OE1 3.32Å; M1-E58 WeakPolarHBondContact CG-OE1 3.43Å; L54-E58 PolarHBondContact O-N 3.35Å; A55-E58 PolarHBondContact O-N 2.93Å; E58-R63 HydrophobicContact CB-CB 4.44Å; E58-A66 WeakPolarHBondContact OE2-CB 3.48Å |
| 59 | P | 81.9 | Confident | 82.5 | Confident | 78 Ų | 78 | 87.8 Ų | 87.8 | 51% | 0.506 | 42% | 0.42 | S | S | . | . | trans | -58.6 | 149.7 | 178.2 | 23.4 | -33.7 | 0 | 0 | 0 | 111.6 | N61 R62 R63 | P59-N61 PolarHBondContact O-N 3.29Å; P59-R62 HydrophobicContact CG-CB 4.46Å; P59-R62 PolarHBondContact O-N 3.1Å; P59-R63 WeakPolarHBondContact O-CB 3.44Å; P59-R63 PolarHBondContact O-N 2.73Å | ||
| 60 | P | 74.1 | Confident | 82.7 | Confident | 93 Ų | 93 | 83.2 Ų | 83.2 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -51.8 | -35.9 | -170.8 | -26.1 | 32.1 | 0 | 0 | 0 | 114.6 | R62 | P60-R62 PolarHBondContact O-N 2.97Å |
| 61 | N | 79.4 | Confident | 82.9 | Confident | 160 Ų | 160 | 78.7 Ų | 78.7 | 86% | 0.856 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -69.5 | -26.9 | -179 | -65.5 | -3.8 | 0 | 0 | 0 | 113.9 | P59 | P59-N61 PolarHBondContact O-N 3.29Å |
| 62 | R | 80.7 | Confident | 83.1 | Confident | 156 Ų | 156 | 83.5 Ų | 83.5 | 59% | 0.589 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -104.7 | -24.8 | 179.5 | -61.1 | -173.5 | 107.4 | 169.8 | -1.3 | 112.7 | P59 P60 Q64 N65 A66 | P59-R62 HydrophobicContact CG-CB 4.46Å; P59-R62 PolarHBondContact O-N 3.1Å; P60-R62 PolarHBondContact O-N 2.97Å; R62-Q64 VanDerWaalsContact C-N 3.3Å; R62-Q64 PolarHBondContact O-N 3.01Å; R62-N65 PolarHBondContact O-N 3.01Å; R62-N65 VanDerWaalsContact O-N 3.09Å; R62-A66 PolarHBondContact O-N 2.67Å |
| 63 | R | 80.8 | Confident | 83.3 | Confident | 113 Ų | 113 | 79 Ų | 79 | 43% | 0.426 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -53.2 | -39.7 | -178.3 | -172.1 | 171.8 | 72.1 | 175.9 | 1.7 | 114.1 | E58 P59 K67 | E58-R63 HydrophobicContact CB-CB 4.44Å; P59-R63 WeakPolarHBondContact O-CB 3.44Å; P59-R63 PolarHBondContact O-N 2.73Å; R63-K67 WeakPolarHBondContact O-CB 3.46Å; R63-K67 WeakPolarHBondContact O-CG 3.34Å; R63-K67 PolarHBondContact O-N 3.34Å |
| 64 | Q | 82.9 | Confident | 83.5 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 179.5 | -172.4 | 177.3 | 11.2 | 0 | 0 | 111.8 | R62 K67 L68 | R62-Q64 VanDerWaalsContact C-N 3.3Å; R62-Q64 PolarHBondContact O-N 3.01Å; Q64-K67 PolarHBondContact O-N 3.08Å; Q64-L68 PolarHBondContact O-N 2.87Å |
| 65 | N | 83.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 177.8 | -168.7 | -95 | 0 | 0 | 0 | 111.5 | R62 L68 R69 | R62-N65 PolarHBondContact O-N 3.01Å; R62-N65 VanDerWaalsContact O-N 3.09Å; N65-L68 PolarHBondContact O-N 2.75Å; N65-R69 WeakPolarHBondContact O-CG 3.49Å; N65-R69 PolarHBondContact O-N 3.48Å; N65-R69 PolarHBondContact OD1-NE 3.39Å; N65-R69 VanDerWaalsContact OD1-NE 3.14Å |
| 66 | A | 82.8 | Confident | 84 | Confident | 2 Ų | 2 | 85 Ų | 85 | 2% | 0.017 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 A55 E58 R62 R69 V70 | M1-A66 HydrophobicContact CE-CB 3.89Å; A55-A66 HydrophobicContact CB-CB 3.97Å; E58-A66 WeakPolarHBondContact OE2-CB 3.48Å; R62-A66 PolarHBondContact O-N 2.67Å; A66-R69 PolarHBondContact O-N 3.39Å; A66-V70 WeakPolarHBondContact O-CG2 3.28Å; A66-V70 PolarHBondContact O-N 3.28Å |
| 67 | K | 85.8 | Confident | 84.3 | Confident | 111 Ų | 111 | 82.3 Ų | 82.3 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 174.8 | -82.3 | -169.9 | 172.6 | -168.1 | 0 | 112.7 | R63 Q64 R69 V70 D71 | R63-K67 WeakPolarHBondContact O-CB 3.46Å; R63-K67 WeakPolarHBondContact O-CG 3.34Å; R63-K67 PolarHBondContact O-N 3.34Å; Q64-K67 PolarHBondContact O-N 3.08Å; K67-R69 VanDerWaalsContact C-N 3.29Å; K67-R69 PolarHBondContact O-N 3.17Å; K67-V70 PolarHBondContact O-N 2.95Å; K67-D71 WeakPolarHBondContact O-CB 3.42Å; K67-D71 PolarHBondContact O-N 3.45Å |
| 68 | L | 86.6 | Confident | 84.4 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.2 | -178.4 | 66.9 | 0 | 0 | 0 | 111.5 | Q64 N65 D71 Q72 | Q64-L68 PolarHBondContact O-N 2.87Å; N65-L68 PolarHBondContact O-N 2.75Å; L68-D71 PolarHBondContact O-N 3.42Å; L68-Q72 WeakPolarHBondContact O-CG 3.12Å; L68-Q72 PolarHBondContact O-N 3.49Å |
| 69 | R | 84.9 | Confident | 84.7 | Confident | 89 Ų | 89 | 82.6 Ų | 82.6 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.7 | -78.2 | -178.2 | -178.3 | -179.5 | 1.9 | 112.3 | Y5 N65 A66 K67 Q72 L73 | Y5-R69 HydrophobicContact CD2-CB 4.36Å; Y5-R69 HydrophobicContact CE2-CB 3.69Å; Y5-R69 HydrophobicContact CE2-CG 4.23Å; N65-R69 WeakPolarHBondContact O-CG 3.49Å; N65-R69 PolarHBondContact O-N 3.48Å; N65-R69 PolarHBondContact OD1-NE 3.39Å; N65-R69 VanDerWaalsContact OD1-NE 3.14Å; A66-R69 PolarHBondContact O-N 3.39Å; K67-R69 VanDerWaalsContact C-N 3.29Å; K67-R69 PolarHBondContact O-N 3.17Å; R69-Q72 PolarHBondContact O-N 2.96Å; R69-L73 WeakPolarHBondContact O-CD1 3.48Å; R69-L73 PolarHBondContact O-N 2.89Å; R69-L73 VanDerWaalsContact O-N 3.15Å |
| 70 | V | 87.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L51 E52 A55 A66 K67 Q72 L73 K74 | L51-V70 HydrophobicContact CB-CG2 4.44Å; L51-V70 HydrophobicContact CD2-CG2 3.77Å; L51-V70 HydrophobicContact CG-CG2 3.74Å; E52-V70 HydrophobicContact CB-CG1 4.13Å; A55-V70 HydrophobicContact CB-CG2 3.93Å; A66-V70 WeakPolarHBondContact O-CG2 3.28Å; A66-V70 PolarHBondContact O-N 3.28Å; K67-V70 PolarHBondContact O-N 2.95Å; V70-Q72 VanDerWaalsContact C-N 3.3Å; V70-Q72 PolarHBondContact O-N 3.28Å; V70-L73 PolarHBondContact O-N 3.01Å; V70-K74 WeakPolarHBondContact O-CB 3.34Å; V70-K74 PolarHBondContact O-N 3.04Å |
| 71 | D | 87.4 | Confident | 85.4 | Confident | 74 Ų | 74 | 80 Ų | 80 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.3 | -79.6 | -13.7 | 0 | 0 | 0 | 111.6 | K67 L68 K74 Y75 | K67-D71 WeakPolarHBondContact O-CB 3.42Å; K67-D71 PolarHBondContact O-N 3.45Å; L68-D71 PolarHBondContact O-N 3.42Å; D71-K74 PolarHBondContact O-N 3.47Å; D71-Y75 PolarHBondContact O-N 2.9Å |
| 72 | Q | 88.1 | Confident | 85.7 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -51.7 | 173.9 | -75.3 | 172.8 | -18 | 0 | 0 | 112 | L68 R69 V70 K74 Y75 D76 | L68-Q72 WeakPolarHBondContact O-CG 3.12Å; L68-Q72 PolarHBondContact O-N 3.49Å; R69-Q72 PolarHBondContact O-N 2.96Å; V70-Q72 VanDerWaalsContact C-N 3.3Å; V70-Q72 PolarHBondContact O-N 3.28Å; Q72-K74 PolarHBondContact O-N 3Å; Q72-Y75 WeakPolarHBondContact O-CB 3.15Å; Q72-Y75 PolarHBondContact O-N 2.87Å; Q72-Y75 VanDerWaalsContact O-N 3.12Å; Q72-D76 PolarHBondContact O-N 2.95Å |
| 73 | L | 86.2 | Confident | 85.8 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 178.4 | -84.9 | 79.6 | 0 | 0 | 0 | 112 | Y5 T8 N9 I12 L48 R69 V70 Y75 D76 V77 | Y5-L73 HydrophobicContact CD2-CD1 3.87Å; Y5-L73 HydrophobicContact CD2-CD2 4.32Å; Y5-L73 HydrophobicContact CE2-CD1 3.15Å; Y5-L73 HydrophobicContact CE2-CD2 4.34Å; Y5-L73 HydrophobicContact CE2-CG 4.39Å; T8-L73 HydrophobicContact CG2-CD2 3.71Å; N9-L73 HydrophobicContact CB-CD2 4.43Å; I12-L73 HydrophobicContact CD1-CB 4.03Å; I12-L73 HydrophobicContact CD1-CD2 3.75Å; I12-L73 HydrophobicContact CD1-CG 3.79Å; L48-L73 HydrophobicContact CD1-CB 4.47Å; L48-L73 HydrophobicContact CD2-CB 3.53Å; L48-L73 HydrophobicContact CD2-CD2 4.18Å; R69-L73 WeakPolarHBondContact O-CD1 3.48Å; R69-L73 PolarHBondContact O-N 2.89Å; R69-L73 VanDerWaalsContact O-N 3.15Å; V70-L73 PolarHBondContact O-N 3.01Å; L73-Y75 VanDerWaalsContact C-N 3.32Å; L73-Y75 PolarHBondContact O-N 3.49Å; L73-D76 PolarHBondContact O-N 3.34Å; L73-V77 VanDerWaalsContact O-CG2 3.29Å; L73-V77 WeakPolarHBondContact O-CG2 3.35Å; L73-V77 PolarHBondContact O-N 2.95Å |
| 74 | K | 89.4 | Confident | 85.9 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 30% | 0.3 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.4 | -172.9 | 174.2 | -173.8 | 165.9 | 0 | 111.3 | V70 D71 Q72 Q78 | V70-K74 WeakPolarHBondContact O-CB 3.34Å; V70-K74 PolarHBondContact O-N 3.04Å; D71-K74 PolarHBondContact O-N 3.47Å; Q72-K74 PolarHBondContact O-N 3Å; K74-Q78 WeakPolarHBondContact O-CB 3.47Å; K74-Q78 VanDerWaalsContact O-CG 3.28Å; K74-Q78 WeakPolarHBondContact O-CG 3.03Å; K74-Q78 PolarHBondContact O-N 3.43Å |
| 75 | Y | 87.8 | Confident | 86 | Confident | 154 Ų | 154 | 65.2 Ų | 65.2 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 174.7 | 179.3 | -94.8 | 0 | 0 | 0 | 111.6 | D71 Q72 L73 V77 Q78 H79 | D71-Y75 PolarHBondContact O-N 2.9Å; Q72-Y75 WeakPolarHBondContact O-CB 3.15Å; Q72-Y75 PolarHBondContact O-N 2.87Å; Q72-Y75 VanDerWaalsContact O-N 3.12Å; L73-Y75 VanDerWaalsContact C-N 3.32Å; L73-Y75 PolarHBondContact O-N 3.49Å; Y75-V77 VanDerWaalsContact C-N 3.34Å; Y75-V77 PolarHBondContact O-N 3.33Å; Y75-Q78 PolarHBondContact O-N 3.44Å; Y75-H79 WeakPolarHBondContact O-CB 3.44Å; Y75-H79 PolarHBondContact O-N 3Å |
| 76 | D | 85.9 | Confident | 86.1 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | -179.2 | -65.1 | -22.1 | 0 | 0 | 0 | 112.1 | I12 Q72 L73 H79 L80 | I12-D76 HydrophobicContact CG2-CB 4.4Å; Q72-D76 PolarHBondContact O-N 2.95Å; L73-D76 PolarHBondContact O-N 3.34Å; D76-H79 PolarHBondContact O-N 3.36Å; D76-L80 WeakPolarHBondContact O-CG 3.45Å; D76-L80 PolarHBondContact O-N 3.35Å |
| 77 | V | 86.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | I12 I41 I44 F45 L48 L73 Y75 H79 L80 R81 | I12-V77 HydrophobicContact CD1-CG2 3.52Å; I12-V77 HydrophobicContact CG1-CG2 3.68Å; I41-V77 HydrophobicContact CG2-CG1 4.19Å; I44-V77 HydrophobicContact CG2-CG1 4.27Å; I44-V77 HydrophobicContact CG2-CG2 3.43Å; I44-V77 VanDerWaalsContact CG2-CG2 3.43Å; F45-V77 HydrophobicContact CD2-CG1 4.27Å; L48-V77 HydrophobicContact CD1-CB 4.02Å; L48-V77 HydrophobicContact CD1-CG1 4.39Å; L48-V77 HydrophobicContact CD1-CG2 3.68Å; L73-V77 VanDerWaalsContact O-CG2 3.29Å; L73-V77 WeakPolarHBondContact O-CG2 3.35Å; L73-V77 PolarHBondContact O-N 2.95Å; Y75-V77 VanDerWaalsContact C-N 3.34Å; Y75-V77 PolarHBondContact O-N 3.33Å; V77-H79 VanDerWaalsContact C-N 3.32Å; V77-L80 PolarHBondContact O-N 3.41Å; V77-R81 WeakPolarHBondContact O-CB 3.31Å; V77-R81 PolarHBondContact O-N 3.48Å |
| 78 | Q | 88.1 | Confident | 86.2 | Confident | 96 Ų | 96 | 64.7 Ų | 64.7 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.4 | -77.1 | 179 | -13.3 | 0 | 0 | 111.2 | K74 Y75 L80 R81 T82 | K74-Q78 WeakPolarHBondContact O-CB 3.47Å; K74-Q78 VanDerWaalsContact O-CG 3.28Å; K74-Q78 WeakPolarHBondContact O-CG 3.03Å; K74-Q78 PolarHBondContact O-N 3.43Å; Y75-Q78 PolarHBondContact O-N 3.44Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 3.25Å; Q78-R81 PolarHBondContact O-N 2.95Å; Q78-T82 PolarHBondContact O-N 2.98Å; Q78-T82 PolarHBondContact O-OG1 3.41Å |
| 79 | H | 87.8 | Confident | 86.1 | Confident | 113 Ų | 113 | 66.1 Ų | 66.1 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.1 | -178.7 | -91.3 | 0 | 0 | 0 | 111.7 | Y75 D76 V77 R81 T82 A83 | Y75-H79 WeakPolarHBondContact O-CB 3.44Å; Y75-H79 PolarHBondContact O-N 3Å; D76-H79 PolarHBondContact O-N 3.36Å; V77-H79 VanDerWaalsContact C-N 3.32Å; H79-R81 PolarHBondContact O-N 2.95Å; H79-T82 PolarHBondContact O-N 3.47Å; H79-A83 WeakPolarHBondContact O-CB 3.5Å; H79-A83 PolarHBondContact O-N 2.85Å |
| 80 | L | 84.1 | Confident | 86 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.5 | -73.6 | 166.7 | 0 | 0 | 0 | 112.8 | I12 V15 Q16 M19 I41 D76 V77 Q78 A83 L84 | I12-L80 HydrophobicContact CG2-CD1 3.87Å; V15-L80 HydrophobicContact CG1-CD1 4.12Å; Q16-L80 HydrophobicContact CB-CD2 4.44Å; Q16-L80 HydrophobicContact CG-CD1 3.85Å; Q16-L80 HydrophobicContact CG-CD2 3.44Å; Q16-L80 VanDerWaalsContact CG-CD2 3.44Å; Q16-L80 HydrophobicContact CG-CG 4.15Å; M19-L80 HydrophobicContact CE-CB 4.36Å; M19-L80 HydrophobicContact CE-CD2 4.08Å; M19-L80 WeakPolarHBondContact CE-O 3.31Å; I41-L80 HydrophobicContact CD1-CB 4.41Å; D76-L80 WeakPolarHBondContact O-CG 3.45Å; D76-L80 PolarHBondContact O-N 3.35Å; V77-L80 PolarHBondContact O-N 3.41Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 3.25Å; L80-A83 PolarHBondContact O-N 3.02Å; L80-L84 PolarHBondContact O-N 3.27Å |
| 81 | R | 87.2 | Confident | 85.8 | Confident | 109 Ų | 109 | 72 Ų | 72 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.5 | -175.5 | 177 | 179.2 | 157.5 | 3.6 | 111.6 | I41 V77 Q78 H79 A83 L84 Q85 | I41-R81 HydrophobicContact CG2-CB 4.22Å; V77-R81 WeakPolarHBondContact O-CB 3.31Å; V77-R81 PolarHBondContact O-N 3.48Å; Q78-R81 PolarHBondContact O-N 2.95Å; H79-R81 PolarHBondContact O-N 2.95Å; R81-A83 VanDerWaalsContact C-N 3.33Å; R81-L84 PolarHBondContact O-N 3.32Å; R81-Q85 WeakPolarHBondContact O-CG 3.38Å; R81-Q85 PolarHBondContact O-N 3.37Å |
| 82 | T | 84.6 | Confident | 85.5 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | Q78 H79 Q85 N86 | Q78-T82 PolarHBondContact O-N 2.98Å; Q78-T82 PolarHBondContact O-OG1 3.41Å; H79-T82 PolarHBondContact O-N 3.47Å; T82-Q85 PolarHBondContact O-N 3.26Å; T82-N86 WeakPolarHBondContact O-CB 3.47Å; T82-N86 VanDerWaalsContact O-CG 3.29Å; T82-N86 PolarHBondContact O-N 3.33Å; T82-N86 PolarHBondContact O-ND2 3.3Å |
| 83 | A | 83.3 | Confident | 85.4 | Confident | 34 Ų | 34 | 73 Ų | 73 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H79 L80 R81 N86 F87 | H79-A83 WeakPolarHBondContact O-CB 3.5Å; H79-A83 PolarHBondContact O-N 2.85Å; L80-A83 PolarHBondContact O-N 3.02Å; R81-A83 VanDerWaalsContact C-N 3.33Å; A83-N86 PolarHBondContact O-N 3.39Å; A83-F87 PolarHBondContact O-N 2.86Å |
| 84 | L | 83.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 176.9 | -174.5 | 62.3 | 0 | 0 | 0 | 111.9 | M19 L22 E34 L37 Q38 I41 L80 R81 N86 F87 Q88 | M19-L84 HydrophobicContact CE-CB 3.81Å; M19-L84 HydrophobicContact CE-CD1 4.4Å; M19-L84 HydrophobicContact SD-CB 4.07Å; M19-L84 HydrophobicContact SD-CD1 3.79Å; L22-L84 HydrophobicContact CD1-CD1 3.92Å; E34-L84 HydrophobicContact CB-CD1 4.49Å; E34-L84 HydrophobicContact CG-CD1 4.23Å; L37-L84 HydrophobicContact CB-CD1 4.47Å; L37-L84 HydrophobicContact CB-CD2 4.19Å; Q38-L84 HydrophobicContact CB-CD2 3.98Å; I41-L84 HydrophobicContact CD1-CD2 3.93Å; L80-L84 PolarHBondContact O-N 3.27Å; R81-L84 PolarHBondContact O-N 3.32Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 2.97Å; L84-F87 WeakPolarHBondContact O-CB 3.36Å; L84-F87 PolarHBondContact O-N 3.4Å; L84-Q88 WeakPolarHBondContact O-CG 3.36Å; L84-Q88 PolarHBondContact O-N 3.29Å |
| 85 | Q | 85.9 | Confident | 85 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 177.8 | -74.5 | 178 | -27.7 | 0 | 0 | 112.2 | R81 T82 F87 Q88 H89 | R81-Q85 WeakPolarHBondContact O-CG 3.38Å; R81-Q85 PolarHBondContact O-N 3.37Å; T82-Q85 PolarHBondContact O-N 3.26Å; Q85-F87 VanDerWaalsContact C-N 3.31Å; Q85-F87 PolarHBondContact O-N 2.79Å; Q85-Q88 PolarHBondContact O-N 3.46Å; Q85-H89 WeakPolarHBondContact O-CB 3.33Å; Q85-H89 PolarHBondContact O-N 3.35Å |
| 86 | N | 85 | Confident | 84.8 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.4 | -74.8 | -26 | 0 | 0 | 0 | 111.9 | T82 A83 L84 R90 | T82-N86 WeakPolarHBondContact O-CB 3.47Å; T82-N86 VanDerWaalsContact O-CG 3.29Å; T82-N86 PolarHBondContact O-N 3.33Å; T82-N86 PolarHBondContact O-ND2 3.3Å; A83-N86 PolarHBondContact O-N 3.39Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 2.97Å; N86-R90 WeakPolarHBondContact O-CB 3.32Å; N86-R90 VanDerWaalsContact O-CG 3.28Å; N86-R90 WeakPolarHBondContact O-CG 3.2Å; N86-R90 PolarHBondContact O-N 3.26Å |
| 87 | F | 84.2 | Confident | 84.7 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 23% | 0.228 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -50.7 | 175.9 | -174.9 | -89.6 | 0 | 0 | 0 | 111.3 | L22 E23 V30 E34 A83 L84 Q85 H89 R90 R91 | L22-F87 HydrophobicContact CB-CE1 4.33Å; L22-F87 HydrophobicContact CB-CZ 4.15Å; L22-F87 HydrophobicContact CD2-CE1 4.15Å; E23-F87 HydrophobicContact CG-CE2 4.11Å; V30-F87 HydrophobicContact CG1-CE1 3.79Å; V30-F87 HydrophobicContact CG1-CZ 4.35Å; E34-F87 WeakPolarHBondContact OE1-CD1 3.27Å; E34-F87 VanDerWaalsContact OE1-CE1 3.27Å; E34-F87 WeakPolarHBondContact OE1-CE1 3.2Å; A83-F87 PolarHBondContact O-N 2.86Å; L84-F87 WeakPolarHBondContact O-CB 3.36Å; L84-F87 PolarHBondContact O-N 3.4Å; Q85-F87 VanDerWaalsContact C-N 3.31Å; Q85-F87 PolarHBondContact O-N 2.79Å; F87-H89 VanDerWaalsContact C-N 3.32Å; F87-H89 PolarHBondContact O-N 2.81Å; F87-R90 PolarHBondContact O-N 2.97Å; F87-R91 PolarHBondContact O-N 2.9Å |
| 88 | Q | 85.2 | Confident | 84.5 | Confident | 45 Ų | 45 | 79 Ų | 79 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 176.1 | -74.1 | 172.3 | -12 | 0 | 0 | 111.6 | E34 L84 Q85 R91 Y92 | E34-Q88 HydrophobicContact CG-CG 4.26Å; L84-Q88 WeakPolarHBondContact O-CG 3.36Å; L84-Q88 PolarHBondContact O-N 3.29Å; Q85-Q88 PolarHBondContact O-N 3.46Å; Q88-R91 PolarHBondContact O-N 2.86Å; Q88-Y92 WeakPolarHBondContact O-CB 3.35Å; Q88-Y92 PolarHBondContact O-N 3.24Å |
| 89 | H | 85.3 | Confident | 84.4 | Confident | 125 Ų | 125 | 80.5 Ų | 80.5 | 58% | 0.579 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.1 | -50.8 | 179.1 | -175.3 | 67.4 | 0 | 0 | 0 | 111.4 | Q85 F87 R91 Y92 T93 | Q85-H89 WeakPolarHBondContact O-CB 3.33Å; Q85-H89 PolarHBondContact O-N 3.35Å; F87-H89 VanDerWaalsContact C-N 3.32Å; F87-H89 PolarHBondContact O-N 2.81Å; H89-R91 PolarHBondContact O-N 2.78Å; H89-Y92 PolarHBondContact O-N 2.95Å; H89-T93 PolarHBondContact O-N 3.15Å; H89-T93 PolarHBondContact O-OG1 3.46Å |
| 90 | R | 83.6 | Confident | 84.1 | Confident | 176 Ų | 176 | 80.8 Ų | 80.8 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55.8 | -40 | 176.8 | -77.4 | 175.3 | 179 | -179.9 | 0.9 | 112.1 | N86 F87 R94 | N86-R90 WeakPolarHBondContact O-CB 3.32Å; N86-R90 VanDerWaalsContact O-CG 3.28Å; N86-R90 WeakPolarHBondContact O-CG 3.2Å; N86-R90 PolarHBondContact O-N 3.26Å; F87-R90 PolarHBondContact O-N 2.97Å; R90-R94 VanDerWaalsContact O-CG 3.29Å; R90-R94 WeakPolarHBondContact O-CG 3.15Å; R90-R94 PolarHBondContact O-N 2.98Å; R90-R94 VanDerWaalsContact O-N 3.11Å |
| 91 | R | 82.2 | Confident | 84 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 15% | 0.151 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.2 | -45.1 | 178.8 | -164.8 | -155.3 | 67.9 | -171 | -8.3 | 111.7 | H31 E34 F87 Q88 H89 T93 R94 E95 | H31-R91 PolarHBondContact CD2-NH1 3.32Å; H31-R91 PolarHBondContact CE1-NH1 3.31Å; H31-R91 PolarHBondContact CE1-NH2 3.45Å; H31-R91 PolarHBondContact ND1-NH1 2.85Å; H31-R91 PolarHBondContact ND1-NH2 2.9Å; H31-R91 VanDerWaalsContact NE2-CZ 3.35Å; H31-R91 PolarHBondContact NE2-NH1 2.98Å; H31-R91 VanDerWaalsContact NE2-NH1 3.17Å; E34-R91 IonicContact OE1-CZ 2.88Å; E34-R91 IonicContact OE1-NH1 3.7Å; E34-R91 IonicContact OE2-CZ 2.73Å; E34-R91 VanDerWaalsContact OE2-CZ 3.26Å; E34-R91 IonicContact OE2-NH1 3.46Å; E34-R91 PolarHBondContact OE2-NH1 2.9Å; E34-R91 IonicContact OE2-NH2 3.65Å; E34-R91 PolarHBondContact OE2-NH2 3.38Å; F87-R91 PolarHBondContact O-N 2.9Å; Q88-R91 PolarHBondContact O-N 2.86Å; H89-R91 PolarHBondContact O-N 2.78Å; R91-T93 VanDerWaalsContact C-N 3.32Å; R91-T93 PolarHBondContact O-N 3.35Å; R91-R94 PolarHBondContact O-N 3.09Å; R91-E95 IonicContact CZ-OE1 3.89Å; R91-E95 IonicContact NE-OE1 3.26Å; R91-E95 PolarHBondContact NE-OE1 3.01Å; R91-E95 PolarHBondContact O-N 2.89Å |
| 92 | Y | 82.7 | Confident | 83.8 | Confident | 148 Ų | 148 | 89.4 Ų | 89.4 | 58% | 0.58 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 176.8 | -170.7 | -92.9 | 0 | 0 | 0 | 111.7 | Q88 H89 R94 E95 A96 | Q88-Y92 WeakPolarHBondContact O-CB 3.35Å; Q88-Y92 PolarHBondContact O-N 3.24Å; H89-Y92 PolarHBondContact O-N 2.95Å; Y92-R94 VanDerWaalsContact C-N 3.35Å; Y92-R94 PolarHBondContact O-N 3.39Å; Y92-E95 PolarHBondContact O-N 3.5Å; Y92-A96 WeakPolarHBondContact O-CB 3.4Å; Y92-A96 PolarHBondContact O-N 3.28Å |
| 93 | T | 84.3 | Confident | 83.7 | Confident | 51 Ų | 51 | 92.4 Ų | 92.4 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 174.7 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | H89 R91 A96 Q97 | H89-T93 PolarHBondContact O-N 3.15Å; H89-T93 PolarHBondContact O-OG1 3.46Å; R91-T93 VanDerWaalsContact C-N 3.32Å; R91-T93 PolarHBondContact O-N 3.35Å; T93-A96 PolarHBondContact O-N 3.32Å; T93-Q97 WeakPolarHBondContact O-CB 3.45Å; T93-Q97 VanDerWaalsContact O-CG 3.25Å; T93-Q97 WeakPolarHBondContact O-CG 3.2Å; T93-Q97 PolarHBondContact O-N 3.33Å |
| 94 | R | 84.5 | Confident | 83.4 | Confident | 164 Ų | 164 | 96.4 Ų | 96.4 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 176 | -74.2 | 173.2 | -177.8 | -173.6 | 0.6 | 112.2 | R90 R91 Y92 A96 Q97 D98 | R90-R94 VanDerWaalsContact O-CG 3.29Å; R90-R94 WeakPolarHBondContact O-CG 3.15Å; R90-R94 PolarHBondContact O-N 2.98Å; R90-R94 VanDerWaalsContact O-N 3.11Å; R91-R94 PolarHBondContact O-N 3.09Å; Y92-R94 VanDerWaalsContact C-N 3.35Å; Y92-R94 PolarHBondContact O-N 3.39Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 3.22Å; R94-Q97 PolarHBondContact O-N 3.46Å; R94-D98 PolarHBondContact O-N 2.87Å |
| 95 | E | 83.3 | Confident | 83 | Confident | 28 Ų | 28 | 102.2 Ų | 102.2 | 13% | 0.131 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 176.6 | -76.2 | -177.4 | -164.5 | 0 | 0 | 112 | H31 R91 Y92 D98 R99 | H31-E95 IonicContact CE1-OE1 3.45Å; H31-E95 PolarHBondContact CE1-OE1 3.39Å; H31-E95 IonicContact NE2-OE1 3.13Å; H31-E95 PolarHBondContact NE2-OE1 3.03Å; H31-E95 VanDerWaalsContact NE2-OE1 3.13Å; R91-E95 IonicContact CZ-OE1 3.89Å; R91-E95 IonicContact NE-OE1 3.26Å; R91-E95 PolarHBondContact NE-OE1 3.01Å; R91-E95 PolarHBondContact O-N 2.89Å; Y92-E95 PolarHBondContact O-N 3.5Å; E95-D98 PolarHBondContact O-N 2.98Å; E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.42Å; E95-R99 PolarHBondContact O-N 3.32Å; E95-R99 IonicContact OE2-NH2 3.1Å; E95-R99 PolarHBondContact OE2-NH2 3.39Å; E95-R99 VanDerWaalsContact OE2-NH2 3.1Å |
| 96 | A | 83 | Confident | 82.4 | Confident | 43 Ų | 43 | 102.1 Ų | 102.1 | 36% | 0.355 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y92 T93 R94 R99 E100 | Y92-A96 WeakPolarHBondContact O-CB 3.4Å; Y92-A96 PolarHBondContact O-N 3.28Å; T93-A96 PolarHBondContact O-N 3.32Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 3.22Å; A96-R99 PolarHBondContact O-N 2.82Å; A96-E100 WeakPolarHBondContact O-CB 3.39Å; A96-E100 PolarHBondContact O-N 3.04Å |
| 97 | Q | 85.1 | Confident | 81.3 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.9 | -73.7 | 172.5 | -11.3 | 0 | 0 | 112.3 | T93 R94 E100 R101 | T93-Q97 WeakPolarHBondContact O-CB 3.45Å; T93-Q97 VanDerWaalsContact O-CG 3.25Å; T93-Q97 WeakPolarHBondContact O-CG 3.2Å; T93-Q97 PolarHBondContact O-N 3.33Å; R94-Q97 PolarHBondContact O-N 3.46Å; Q97-E100 PolarHBondContact O-N 3.12Å; Q97-R101 WeakPolarHBondContact O-CB 3.48Å; Q97-R101 PolarHBondContact O-N 3.38Å |
| 98 | D | 82.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 110.4 Ų | 110.4 | 33% | 0.326 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.3 | -74.2 | -14.9 | 0 | 0 | 0 | 111.1 | R27 R94 E95 R101 E102 | R27-D98 IonicContact CZ-OD2 3.28Å; R27-D98 IonicContact NH1-OD2 3.57Å; R27-D98 IonicContact NH2-OD2 2.72Å; R27-D98 PolarHBondContact NH2-OD2 3.25Å; R94-D98 PolarHBondContact O-N 2.87Å; E95-D98 PolarHBondContact O-N 2.98Å; D98-R101 WeakPolarHBondContact O-CB 3.33Å; D98-R101 PolarHBondContact O-N 2.76Å; D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 3.35Å |
| 99 | R | 84.5 | Confident | 78.3 | Confident | 129 Ų | 129 | 117.4 Ų | 117.4 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 175.4 | -73.9 | -178.9 | -143 | 166.9 | 6.9 | 112.2 | E95 A96 R101 E102 E103 | E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.42Å; E95-R99 PolarHBondContact O-N 3.32Å; E95-R99 IonicContact OE2-NH2 3.1Å; E95-R99 PolarHBondContact OE2-NH2 3.39Å; E95-R99 VanDerWaalsContact OE2-NH2 3.1Å; A96-R99 PolarHBondContact O-N 2.82Å; R99-R101 VanDerWaalsContact C-N 3.27Å; R99-R101 PolarHBondContact O-N 3.42Å; R99-E102 PolarHBondContact O-N 3.26Å; R99-E102 VanDerWaalsContact O-N 3.16Å; R99-E103 WeakPolarHBondContact O-CG 3.46Å; R99-E103 PolarHBondContact O-N 3.45Å |
| 100 | E | 82.6 | Confident | 76.7 | Confident | 119 Ų | 119 | 117.2 Ų | 117.2 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.4 | -41.1 | 176.3 | -175.1 | 176.5 | -166.7 | 0 | 0 | 110.8 | A96 Q97 E103 L104 | A96-E100 WeakPolarHBondContact O-CB 3.39Å; A96-E100 PolarHBondContact O-N 3.04Å; Q97-E100 PolarHBondContact O-N 3.12Å; E100-E103 PolarHBondContact O-N 3.35Å; E100-L104 WeakPolarHBondContact O-CB 3.49Å; E100-L104 VanDerWaalsContact O-CG 3.25Å; E100-L104 WeakPolarHBondContact O-CG 3.29Å; E100-L104 PolarHBondContact O-N 2.84Å |
| 101 | R | 82.1 | Confident | 75 | Confident | 169 Ų | 169 | 114.8 Ų | 114.8 | 64% | 0.638 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.9 | -44.8 | 173.8 | -176.4 | -171.6 | 174.4 | 100.2 | 3 | 111.8 | Q97 D98 R99 L104 L105 | Q97-R101 WeakPolarHBondContact O-CB 3.48Å; Q97-R101 PolarHBondContact O-N 3.38Å; D98-R101 WeakPolarHBondContact O-CB 3.33Å; D98-R101 PolarHBondContact O-N 2.76Å; R99-R101 VanDerWaalsContact C-N 3.27Å; R99-R101 PolarHBondContact O-N 3.42Å; R101-L104 PolarHBondContact O-N 2.77Å; R101-L105 HydrophobicContact CG-CD1 3.96Å; R101-L105 WeakPolarHBondContact O-CB 3.3Å; R101-L105 VanDerWaalsContact O-CG 3.22Å; R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 3.07Å |
| 102 | E | 82.7 | Confident | 73.3 | Confident | 129 Ų | 129 | 119.7 Ų | 119.7 | 60% | 0.603 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.4 | -40.2 | 176.8 | -76.4 | 177.8 | -177.3 | 0 | 0 | 112.1 | D98 R99 L104 L105 S106 | D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 3.35Å; R99-E102 PolarHBondContact O-N 3.26Å; R99-E102 VanDerWaalsContact O-N 3.16Å; E102-L104 VanDerWaalsContact C-N 3.35Å; E102-L104 PolarHBondContact O-N 2.9Å; E102-L105 PolarHBondContact O-N 2.75Å; E102-S106 WeakPolarHBondContact O-CB 3.09Å; E102-S106 PolarHBondContact O-N 3.44Å; E102-S106 PolarHBondContact O-OG 3.41Å; E102-S106 VanDerWaalsContact O-OG 3.1Å |
| 103 | E | 82.8 | Confident | 71.4 | Confident | 134 Ų | 134 | 119.8 Ų | 119.8 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.7 | -44.5 | 174.5 | -74.5 | 177.8 | -175.7 | 0 | 0 | 111.2 | R99 E100 L105 S106 R107 | R99-E103 WeakPolarHBondContact O-CG 3.46Å; R99-E103 PolarHBondContact O-N 3.45Å; E100-E103 PolarHBondContact O-N 3.35Å; E103-L105 VanDerWaalsContact C-N 3.35Å; E103-L105 PolarHBondContact O-N 2.98Å; E103-S106 WeakPolarHBondContact CA-OG 3.39Å; E103-S106 PolarHBondContact O-N 2.82Å; E103-S106 PolarHBondContact O-OG 3.43Å; E103-R107 PolarHBondContact O-N 3.15Å; E103-R107 VanDerWaalsContact O-N 3.15Å |
| 104 | L | 77.3 | Confident | 69.5 | Low | 118 Ų | 118 | 122.4 Ų | 122.4 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.6 | -37.4 | 175 | -70.5 | 174.5 | 0 | 0 | 0 | 113 | E100 R101 E102 | E100-L104 WeakPolarHBondContact O-CB 3.49Å; E100-L104 VanDerWaalsContact O-CG 3.25Å; E100-L104 WeakPolarHBondContact O-CG 3.29Å; E100-L104 PolarHBondContact O-N 2.84Å; R101-L104 PolarHBondContact O-N 2.77Å; E102-L104 VanDerWaalsContact C-N 3.35Å; E102-L104 PolarHBondContact O-N 2.9Å |
| 105 | L | 72.9 | Confident | 67.6 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.6 | -32.3 | 178.1 | -71 | 170.9 | 0 | 0 | 0 | 113 | R101 E102 E103 R107 | R101-L105 HydrophobicContact CG-CD1 3.96Å; R101-L105 WeakPolarHBondContact O-CB 3.3Å; R101-L105 VanDerWaalsContact O-CG 3.22Å; R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 3.07Å; E102-L105 PolarHBondContact O-N 2.75Å; E103-L105 VanDerWaalsContact C-N 3.35Å; E103-L105 PolarHBondContact O-N 2.98Å; L105-R107 VanDerWaalsContact C-N 3.3Å |
| 106 | S | 73.9 | Confident | 66 | Low | 85 Ų | 85 | 126.6 Ų | 126.6 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.3 | -17.4 | 179.6 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | E102 E103 T108 | E102-S106 WeakPolarHBondContact O-CB 3.09Å; E102-S106 PolarHBondContact O-N 3.44Å; E102-S106 PolarHBondContact O-OG 3.41Å; E102-S106 VanDerWaalsContact O-OG 3.1Å; E103-S106 WeakPolarHBondContact CA-OG 3.39Å; E103-S106 PolarHBondContact O-N 2.82Å; E103-S106 PolarHBondContact O-OG 3.43Å; S106-T108 VanDerWaalsContact C-N 3.29Å; S106-T108 PolarHBondContact O-N 3.48Å |
| 107 | R | 62.8 | Low | 64.2 | Low | 198 Ų | 198 | 128.3 Ų | 128.3 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -63.9 | 92.8 | 169.9 | -165.1 | 177.8 | -179.8 | -164.2 | -1.3 | 108.7 | E103 L105 F109 | E103-R107 PolarHBondContact O-N 3.15Å; E103-R107 VanDerWaalsContact O-N 3.15Å; L105-R107 VanDerWaalsContact C-N 3.3Å; R107-F109 PolarHBondContact O-N 3.35Å |
| 108 | T | 53.4 | Low | 62.6 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | trans | -55.2 | 111.5 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 108.1 | S106 T110 | S106-T108 VanDerWaalsContact C-N 3.29Å; S106-T108 PolarHBondContact O-N 3.48Å; T108-T110 PolarHBondContact O-N 2.79Å | ||
| 109 | F | 52.8 | Low | 61 | Low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | trans | -61.9 | 100.4 | 168.6 | -91.9 | -94.1 | 0 | 0 | 0 | 107.9 | R107 T111 | R107-F109 PolarHBondContact O-N 3.35Å; F109-T111 PolarHBondContact O-N 3.35Å | ||
| 110 | T | 50.4 | Low | 59.5 | Low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | -72.7 | 106.5 | 170.2 | 54.8 | 0 | 0 | 0 | 0 | 107.8 | T108 N112 | T108-T110 PolarHBondContact O-N 2.79Å; T110-N112 PolarHBondContact O-N 3.27Å | ||
| 111 | T | 49.2 | Very low | 58.1 | Low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | trans | -75 | 100.9 | 169.7 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | F109 | F109-T111 PolarHBondContact O-N 3.35Š| ||
| 112 | N | 47 | Very low | 57 | Low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | 174.6 | 111.1 | 154.4 | -81.8 | -33.9 | 0 | 0 | 0 | 103.2 | T110 | T110-N112 PolarHBondContact O-N 3.27Š| ||
| 113 | D | 41 | Very low | 55.7 | Low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | -142.5 | 157.4 | 59.9 | -87.7 | -52 | 0 | 0 | 0 | 113.5 | D115 | D113-D115 PolarHBondContact O-N 3.48Š| |||
| 114 | A | 44.4 | Very low | 54.9 | Low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -69.3 | 48.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 115 | D | 45.3 | Very low | 54.3 | Low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | trans | -121.2 | 30.3 | 177.3 | -150.8 | 21.9 | 0 | 0 | 0 | 112.7 | D113 S117 | D113-D115 PolarHBondContact O-N 3.48Å; D115-S117 PolarHBondContact O-N 2.79Å | ||
| 116 | T | 49.6 | Very low | 54 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 90% | 0.902 | 70% | 0.701 | S | S | * | * | trans | -72.9 | 51.3 | 169.7 | 20.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 117 | S | 45.9 | Very low | 54 | Low | 80 Ų | 80 | 130.3 Ų | 130.3 | 56% | 0.559 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -140.5 | 91.9 | 156.9 | 62 | 0 | 0 | 0 | 0 | 110.8 | D115 | D115-S117 PolarHBondContact O-N 2.79Š|
| 118 | I | 51.1 | Low | 54.6 | Low | 157 Ų | 157 | 124.2 Ų | 124.2 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 67.5 | 85.7 | 137.5 | -49.2 | 156 | 0 | 0 | 0 | 114.3 | ||
| 119 | H | 49.3 | Very low | 55.7 | Low | 178 Ų | 178 | 122.1 Ų | 122.1 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | 172.5 | 30.2 | 127.7 | -129.9 | 73.4 | 0 | 0 | 0 | 115.3 | |||||
| 120 | I | 52.7 | Low | 56.9 | Low | 151 Ų | 151 | 118.2 Ų | 118.2 | 77% | 0.774 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -114.7 | 112.8 | 163.9 | -61.7 | 173.4 | 0 | 0 | 0 | 104.8 | I124 | I120-I124 HydrophobicContact CG2-CD1 4.38Š|
| 121 | D | 54.3 | Low | 58.3 | Low | 61 Ų | 61 | 117.3 Ų | 117.3 | 33% | 0.326 | 65% | 0.647 | S | S | . | * | 161.1 | 1.7 | 128.2 | -136.2 | 30.4 | 0 | 0 | 0 | 112.9 | T123 I124 Q125 | D121-T123 VanDerWaalsContact C-N 3.35Å; D121-T123 PolarHBondContact O-N 3.11Å; D121-I124 PolarHBondContact O-N 2.99Å; D121-I124 WeakPolarHBondContact OD1-CB 3.45Å; D121-I124 WeakPolarHBondContact OD1-CG2 3.13Å; D121-Q125 HydrophobicContact CB-CG 4.09Å; D121-Q125 WeakPolarHBondContact O-CA 3.17Å; D121-Q125 WeakPolarHBondContact O-CB 3.36Å; D121-Q125 WeakPolarHBondContact O-CG 3.25Å; D121-Q125 PolarHBondContact O-N 3.3Å; D121-Q125 VanDerWaalsContact OD2-CG 3.27Å; D121-Q125 WeakPolarHBondContact OD2-CG 3.23Å; D121-Q125 PolarHBondContact OD2-NE2 2.94Å | |||
| 122 | E | 57.4 | Low | 59.7 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 73% | 0.729 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.9 | -42.7 | -178.2 | -167.9 | 173.2 | -167.6 | 0 | 0 | 111.2 | L126 | E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 PolarHBondContact O-N 3.23Å |
| 123 | T | 56.5 | Low | 61 | Low | 117 Ų | 117 | 111.8 Ų | 111.8 | 72% | 0.718 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.2 | -32.4 | 178.6 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | D121 N127 | D121-T123 VanDerWaalsContact C-N 3.35Å; D121-T123 PolarHBondContact O-N 3.11Å; T123-N127 WeakPolarHBondContact O-CB 3.47Å; T123-N127 PolarHBondContact O-N 3.36Å |
| 124 | I | 64.8 | Low | 62.8 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 46% | 0.462 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.5 | -38.7 | 178 | -65.5 | 174.1 | 0 | 0 | 0 | 110.5 | I120 D121 L126 N127 T128 | I120-I124 HydrophobicContact CG2-CD1 4.38Å; D121-I124 PolarHBondContact O-N 2.99Å; D121-I124 WeakPolarHBondContact OD1-CB 3.45Å; D121-I124 WeakPolarHBondContact OD1-CG2 3.13Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-N127 PolarHBondContact O-N 2.85Å; I124-T128 VanDerWaalsContact O-CB 3.32Å; I124-T128 WeakPolarHBondContact O-CB 2.91Å; I124-T128 PolarHBondContact O-N 3.38Å; I124-T128 PolarHBondContact O-OG1 3.24Å |
| 125 | Q | 64.9 | Low | 64.6 | Low | 115 Ų | 115 | 112 Ų | 112 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -41 | 168.1 | -77.8 | -176.5 | 13.8 | 0 | 0 | 111.3 | D121 N127 T128 S129 | D121-Q125 HydrophobicContact CB-CG 4.09Å; D121-Q125 WeakPolarHBondContact O-CA 3.17Å; D121-Q125 WeakPolarHBondContact O-CB 3.36Å; D121-Q125 WeakPolarHBondContact O-CG 3.25Å; D121-Q125 PolarHBondContact O-N 3.3Å; D121-Q125 VanDerWaalsContact OD2-CG 3.27Å; D121-Q125 WeakPolarHBondContact OD2-CG 3.23Å; D121-Q125 PolarHBondContact OD2-NE2 2.94Å; Q125-N127 VanDerWaalsContact C-N 3.35Å; Q125-T128 PolarHBondContact O-N 3.28Å; Q125-S129 WeakPolarHBondContact O-CA 3.41Å; Q125-S129 WeakPolarHBondContact O-CB 3.37Å; Q125-S129 PolarHBondContact O-N 3.41Å; Q125-S129 PolarHBondContact O-OG 3.43Å |
| 126 | L | 68.1 | Low | 66.2 | Low | 99 Ų | 99 | 107.2 Ų | 107.2 | 52% | 0.518 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.8 | -34.4 | 178.6 | -154.5 | 149.7 | 0 | 0 | 0 | 110.8 | E122 I124 L130 | E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 PolarHBondContact O-N 3.23Å; I124-L126 VanDerWaalsContact C-N 3.34Å; L126-L130 HydrophobicContact CD2-CD1 3.84Å; L126-L130 HydrophobicContact CD2-CG 4.21Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CG 3.3Å; L126-L130 PolarHBondContact O-N 3.14Å |
| 127 | N | 72.6 | Confident | 67.6 | Low | 102 Ų | 102 | 104.7 Ų | 104.7 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -45.6 | 170.9 | -169.1 | -79.7 | 0 | 0 | 0 | 111.8 | T123 I124 Q125 L130 H131 | T123-N127 WeakPolarHBondContact O-CB 3.47Å; T123-N127 PolarHBondContact O-N 3.36Å; I124-N127 PolarHBondContact O-N 2.85Å; Q125-N127 VanDerWaalsContact C-N 3.35Å; N127-L130 PolarHBondContact O-N 3.42Å; N127-H131 WeakPolarHBondContact O-CB 3.43Å; N127-H131 PolarHBondContact O-N 3.15Å |
| 128 | T | 76.6 | Confident | 69.4 | Low | 69 Ų | 69 | 104.9 Ų | 104.9 | 42% | 0.423 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 177.5 | -53.9 | 0 | 0 | 0 | 0 | 111 | I124 Q125 H131 N132 | I124-T128 VanDerWaalsContact O-CB 3.32Å; I124-T128 WeakPolarHBondContact O-CB 2.91Å; I124-T128 PolarHBondContact O-N 3.38Å; I124-T128 PolarHBondContact O-OG1 3.24Å; Q125-T128 PolarHBondContact O-N 3.28Å; T128-H131 PolarHBondContact O-N 3.38Å; T128-N132 WeakPolarHBondContact O-CB 3.33Å; T128-N132 PolarHBondContact O-N 3.06Å; T128-N132 PolarHBondContact O-ND2 2.99Å |
| 129 | S | 76.3 | Confident | 70.9 | Confident | 73 Ų | 73 | 103.2 Ų | 103.2 | 51% | 0.51 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 175.1 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | Q125 A133 | Q125-S129 WeakPolarHBondContact O-CA 3.41Å; Q125-S129 WeakPolarHBondContact O-CB 3.37Å; Q125-S129 PolarHBondContact O-N 3.41Å; Q125-S129 PolarHBondContact O-OG 3.43Å; S129-A133 WeakPolarHBondContact O-CB 3.32Å; S129-A133 PolarHBondContact O-N 3.42Å |
| 130 | L | 77.9 | Confident | 72.2 | Confident | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -41.8 | 171.3 | -90.8 | 173.6 | 0 | 0 | 0 | 111.3 | L126 N127 A133 H134 | L126-L130 HydrophobicContact CD2-CD1 3.84Å; L126-L130 HydrophobicContact CD2-CG 4.21Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CG 3.3Å; L126-L130 PolarHBondContact O-N 3.14Å; N127-L130 PolarHBondContact O-N 3.42Å; L130-A133 PolarHBondContact O-N 2.89Å; L130-H134 VanDerWaalsContact O-CB 3.3Å; L130-H134 WeakPolarHBondContact O-CB 3.36Å; L130-H134 PolarHBondContact O-N 2.82Å |
| 131 | H | 80.3 | Confident | 73.5 | Confident | 102 Ų | 102 | 99.1 Ų | 99.1 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | -179 | -151.1 | -24.9 | 0 | 0 | 0 | 111.5 | N127 T128 H134 R135 | N127-H131 WeakPolarHBondContact O-CB 3.43Å; N127-H131 PolarHBondContact O-N 3.15Å; T128-H131 PolarHBondContact O-N 3.38Å; H131-H134 PolarHBondContact O-N 3.01Å; H131-R135 WeakPolarHBondContact O-CG 3.22Å; H131-R135 PolarHBondContact O-N 2.99Å |
| 132 | N | 77.2 | Confident | 74.7 | Confident | 93 Ų | 93 | 98.3 Ų | 98.3 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 172.6 | -70.9 | -17.8 | 0 | 0 | 0 | 111.7 | T128 H134 R135 G136 | T128-N132 WeakPolarHBondContact O-CB 3.33Å; T128-N132 PolarHBondContact O-N 3.06Å; T128-N132 PolarHBondContact O-ND2 2.99Å; N132-H134 VanDerWaalsContact C-N 3.33Å; N132-R135 PolarHBondContact O-N 3.48Å; N132-G136 PolarHBondContact O-N 3.4Å |
| 133 | A | 75.8 | Confident | 75.6 | Confident | 59 Ų | 59 | 93.7 Ų | 93.7 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S129 L130 G136 M137 | S129-A133 WeakPolarHBondContact O-CB 3.32Å; S129-A133 PolarHBondContact O-N 3.42Å; L130-A133 PolarHBondContact O-N 2.89Å; A133-G136 PolarHBondContact O-N 2.75Å; A133-M137 WeakPolarHBondContact O-CB 3.49Å; A133-M137 PolarHBondContact O-N 2.8Å |
| 134 | H | 78.7 | Confident | 76.7 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 176.4 | -149.5 | 87.8 | 0 | 0 | 0 | 110.9 | L130 H131 N132 M137 D138 | L130-H134 VanDerWaalsContact O-CB 3.3Å; L130-H134 WeakPolarHBondContact O-CB 3.36Å; L130-H134 PolarHBondContact O-N 2.82Å; H131-H134 PolarHBondContact O-N 3.01Å; N132-H134 VanDerWaalsContact C-N 3.33Å; H134-M137 PolarHBondContact O-N 2.74Å; H134-D138 IonicContact CD2-OD2 3.57Å; H134-D138 WeakPolarHBondContact O-CB 3.4Å; H134-D138 PolarHBondContact O-N 2.67Å |
| 135 | R | 81.6 | Confident | 77.5 | Confident | 158 Ų | 158 | 88.3 Ų | 88.3 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 174.1 | -72.7 | -169.5 | -162.8 | 172.4 | 6.7 | 112.4 | H131 N132 M137 D138 D139 | H131-R135 WeakPolarHBondContact O-CG 3.22Å; H131-R135 PolarHBondContact O-N 2.99Å; N132-R135 PolarHBondContact O-N 3.48Å; R135-M137 VanDerWaalsContact C-N 3.28Å; R135-M137 PolarHBondContact O-N 2.84Å; R135-D138 PolarHBondContact O-N 3.35Å; R135-D139 PolarHBondContact O-N 3.47Å |
| 136 | G | 79.3 | Confident | 77.8 | Confident | 33 Ų | 33 | 86.2 Ų | 86.2 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N132 A133 L140 | N132-G136 PolarHBondContact O-N 3.4Å; A133-G136 PolarHBondContact O-N 2.75Å; G136-L140 WeakPolarHBondContact O-CB 3.5Å; G136-L140 VanDerWaalsContact O-CG 3.23Å; G136-L140 WeakPolarHBondContact O-CG 3.32Å; G136-L140 PolarHBondContact O-N 3.15Å |
| 137 | M | 78.9 | Confident | 78.3 | Confident | 95 Ų | 95 | 86.5 Ų | 86.5 | 47% | 0.468 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 174.4 | -171.6 | 175.1 | 64.6 | 0 | 0 | 112 | A133 H134 R135 L140 L141 | A133-M137 WeakPolarHBondContact O-CB 3.49Å; A133-M137 PolarHBondContact O-N 2.8Å; H134-M137 PolarHBondContact O-N 2.74Å; R135-M137 VanDerWaalsContact C-N 3.28Å; R135-M137 PolarHBondContact O-N 2.84Å; M137-L140 PolarHBondContact O-N 3.41Å; M137-L141 HydrophobicContact CG-CD1 4.23Å; M137-L141 VanDerWaalsContact O-CB 3.32Å; M137-L141 WeakPolarHBondContact O-CB 3.32Å; M137-L141 WeakPolarHBondContact O-CG 3.41Å; M137-L141 PolarHBondContact O-N 2.93Å |
| 138 | D | 82.9 | Confident | 78.8 | Confident | 84 Ų | 84 | 87.4 Ų | 87.4 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 173.6 | -76.3 | -21 | 0 | 0 | 0 | 111.7 | H134 R135 L141 G142 | H134-D138 IonicContact CD2-OD2 3.57Å; H134-D138 WeakPolarHBondContact O-CB 3.4Å; H134-D138 PolarHBondContact O-N 2.67Å; R135-D138 PolarHBondContact O-N 3.35Å; D138-L141 PolarHBondContact O-N 3.3Å; D138-G142 PolarHBondContact O-N 3.41Å |
| 139 | D | 82.7 | Confident | 79.1 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 65% | 0.652 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | -38.2 | 173.4 | -97.6 | 0.6 | 0 | 0 | 0 | 111.8 | R135 S143 | R135-D139 PolarHBondContact O-N 3.47Å; D139-S143 WeakPolarHBondContact O-CB 3.42Å; D139-S143 PolarHBondContact O-N 3.38Å; D139-S143 PolarHBondContact O-OG 2.94Å |
| 140 | L | 77.6 | Confident | 79.2 | Confident | 132 Ų | 132 | 86.6 Ų | 86.6 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.6 | -35.9 | 173.8 | -75.1 | 172.1 | 0 | 0 | 0 | 112.3 | G136 M137 G144 | G136-L140 WeakPolarHBondContact O-CB 3.5Å; G136-L140 VanDerWaalsContact O-CG 3.23Å; G136-L140 WeakPolarHBondContact O-CG 3.32Å; G136-L140 PolarHBondContact O-N 3.15Å; M137-L140 PolarHBondContact O-N 3.41Å; L140-G144 WeakPolarHBondContact O-CA 3.4Å; L140-G144 PolarHBondContact O-N 3.47Å |
| 141 | L | 80.1 | Confident | 79.1 | Confident | 111 Ų | 111 | 86 Ų | 86 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.4 | -42 | 174.2 | -81.7 | 166.5 | 0 | 0 | 0 | 111.4 | M137 D138 G144 S145 | M137-L141 HydrophobicContact CG-CD1 4.23Å; M137-L141 VanDerWaalsContact O-CB 3.32Å; M137-L141 WeakPolarHBondContact O-CB 3.32Å; M137-L141 WeakPolarHBondContact O-CG 3.41Å; M137-L141 PolarHBondContact O-N 2.93Å; D138-L141 PolarHBondContact O-N 3.3Å; L141-G144 PolarHBondContact O-N 3.38Å; L141-S145 VanDerWaalsContact O-CB 3.29Å; L141-S145 WeakPolarHBondContact O-CB 3.43Å; L141-S145 PolarHBondContact O-N 3.36Å |
| 142 | G | 78.8 | Confident | 79.1 | Confident | 44 Ų | 44 | 90 Ų | 90 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | D138 S145 S146 | D138-G142 PolarHBondContact O-N 3.41Å; G142-S145 PolarHBondContact O-N 2.93Å; G142-S146 PolarHBondContact O-N 2.95Å |
| 143 | S | 75.7 | Confident | 79 | Confident | 59 Ų | 59 | 90.5 Ų | 90.5 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 174.5 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | D139 S145 S146 I147 | D139-S143 WeakPolarHBondContact O-CB 3.42Å; D139-S143 PolarHBondContact O-N 3.38Å; D139-S143 PolarHBondContact O-OG 2.94Å; S143-S145 PolarHBondContact O-N 2.87Å; S143-S146 PolarHBondContact O-N 3.09Å; S143-S146 PolarHBondContact O-OG 3.03Å; S143-I147 WeakPolarHBondContact O-CB 3.47Å; S143-I147 WeakPolarHBondContact O-CD1 3.43Å; S143-I147 VanDerWaalsContact O-CG1 3.22Å; S143-I147 WeakPolarHBondContact O-CG1 3.41Å; S143-I147 PolarHBondContact O-N 2.84Å |
| 144 | G | 79.8 | Confident | 78.4 | Confident | 30 Ų | 30 | 93.2 Ų | 93.2 | 31% | 0.309 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L140 L141 I147 L148 | L140-G144 WeakPolarHBondContact O-CA 3.4Å; L140-G144 PolarHBondContact O-N 3.47Å; L141-G144 PolarHBondContact O-N 3.38Å; G144-I147 PolarHBondContact O-N 2.86Å; G144-L148 WeakPolarHBondContact O-CB 3.46Å; G144-L148 PolarHBondContact O-N 3.25Å |
| 145 | S | 81 | Confident | 78.1 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | L141 G142 S143 I147 L148 N149 | L141-S145 VanDerWaalsContact O-CB 3.29Å; L141-S145 WeakPolarHBondContact O-CB 3.43Å; L141-S145 PolarHBondContact O-N 3.36Å; G142-S145 PolarHBondContact O-N 2.93Å; S143-S145 PolarHBondContact O-N 2.87Å; S145-I147 VanDerWaalsContact C-N 3.34Å; S145-I147 PolarHBondContact O-N 3.32Å; S145-L148 PolarHBondContact O-N 3.47Å; S145-N149 WeakPolarHBondContact O-CB 3.44Å; S145-N149 PolarHBondContact O-N 3.2Å; S145-N149 PolarHBondContact O-ND2 2.81Å |
| 146 | S | 72.4 | Confident | 77.5 | Confident | 72 Ų | 72 | 92.6 Ų | 92.6 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 176.4 | 81 | 0 | 0 | 0 | 0 | 112.5 | G142 S143 G150 | G142-S146 PolarHBondContact O-N 2.95Å; S143-S146 PolarHBondContact O-N 3.09Å; S143-S146 PolarHBondContact O-OG 3.03Å; S146-G150 PolarHBondContact O-N 3.31Å |
| 147 | I | 77.4 | Confident | 77.2 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 54% | 0.538 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 175.6 | -68.6 | 164.5 | 0 | 0 | 0 | 110.2 | S143 G144 S145 G150 L151 | S143-I147 WeakPolarHBondContact O-CB 3.47Å; S143-I147 WeakPolarHBondContact O-CD1 3.43Å; S143-I147 VanDerWaalsContact O-CG1 3.22Å; S143-I147 WeakPolarHBondContact O-CG1 3.41Å; S143-I147 PolarHBondContact O-N 2.84Å; G144-I147 PolarHBondContact O-N 2.86Å; S145-I147 VanDerWaalsContact C-N 3.34Å; S145-I147 PolarHBondContact O-N 3.32Å; I147-G150 PolarHBondContact O-N 3.47Å; I147-L151 HydrophobicContact CG2-CD1 4.04Å; I147-L151 HydrophobicContact CG2-CG 4.4Å; I147-L151 WeakPolarHBondContact O-CB 3.39Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.29Å; I147-L151 PolarHBondContact O-N 2.84Å |
| 148 | L | 84 | Confident | 76.4 | Confident | 121 Ų | 121 | 96.5 Ų | 96.5 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 176.5 | -108.1 | 156.7 | 0 | 0 | 0 | 112.2 | G144 S145 L151 R152 | G144-L148 WeakPolarHBondContact O-CB 3.46Å; G144-L148 PolarHBondContact O-N 3.25Å; S145-L148 PolarHBondContact O-N 3.47Å; L148-L151 PolarHBondContact O-N 3.5Å; L148-R152 WeakPolarHBondContact O-CB 3.33Å; L148-R152 PolarHBondContact O-N 2.91Å |
| 149 | N | 82.6 | Confident | 75.9 | Confident | 85 Ų | 85 | 98.9 Ų | 98.9 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 174 | -76.3 | -29 | 0 | 0 | 0 | 111.1 | S145 L151 R152 D153 | S145-N149 WeakPolarHBondContact O-CB 3.44Å; S145-N149 PolarHBondContact O-N 3.2Å; S145-N149 PolarHBondContact O-ND2 2.81Å; N149-L151 PolarHBondContact O-N 3.16Å; N149-R152 WeakPolarHBondContact O-CB 3.34Å; N149-R152 PolarHBondContact O-N 3.43Å; N149-R152 VanDerWaalsContact O-N 3.16Å; N149-D153 WeakPolarHBondContact O-CB 3.41Å; N149-D153 PolarHBondContact O-N 3.43Å |
| 150 | G | 78.3 | Confident | 75.3 | Confident | 39 Ų | 39 | 94.7 Ų | 94.7 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S146 I147 R152 D153 Q154 | S146-G150 PolarHBondContact O-N 3.31Å; I147-G150 PolarHBondContact O-N 3.47Å; G150-R152 PolarHBondContact O-N 3.37Å; G150-D153 PolarHBondContact O-N 2.81Å; G150-Q154 WeakPolarHBondContact O-CB 3.27Å; G150-Q154 PolarHBondContact O-N 3Å |
| 151 | L | 77.4 | Confident | 74.7 | Confident | 97 Ų | 97 | 92.2 Ų | 92.2 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 175.7 | -71.9 | 171.3 | 0 | 0 | 0 | 112.4 | I147 L148 N149 Q154 R155 | I147-L151 HydrophobicContact CG2-CD1 4.04Å; I147-L151 HydrophobicContact CG2-CG 4.4Å; I147-L151 WeakPolarHBondContact O-CB 3.39Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.29Å; I147-L151 PolarHBondContact O-N 2.84Å; L148-L151 PolarHBondContact O-N 3.5Å; N149-L151 PolarHBondContact O-N 3.16Å; L151-Q154 PolarHBondContact O-N 3.46Å; L151-R155 WeakPolarHBondContact O-CB 3.43Å; L151-R155 PolarHBondContact O-N 2.93Å |
| 152 | R | 79.4 | Confident | 73.5 | Confident | 187 Ų | 187 | 93.2 Ų | 93.2 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -42.8 | 175.2 | -174.2 | 178.1 | 178.6 | 105.3 | -2 | 111.5 | L148 N149 G150 R155 S156 | L148-R152 WeakPolarHBondContact O-CB 3.33Å; L148-R152 PolarHBondContact O-N 2.91Å; N149-R152 WeakPolarHBondContact O-CB 3.34Å; N149-R152 PolarHBondContact O-N 3.43Å; N149-R152 VanDerWaalsContact O-N 3.16Å; G150-R152 PolarHBondContact O-N 3.37Å; R152-R155 WeakPolarHBondContact O-CB 3.39Å; R152-R155 PolarHBondContact O-N 2.83Å; R152-S156 PolarHBondContact O-N 3.45Å |
| 153 | D | 75.5 | Confident | 73 | Confident | 104 Ų | 104 | 97.8 Ų | 97.8 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70 | -34.9 | 175.8 | -73.9 | -15.3 | 0 | 0 | 0 | 111.7 | N149 G150 S156 T157 | N149-D153 WeakPolarHBondContact O-CB 3.41Å; N149-D153 PolarHBondContact O-N 3.43Å; G150-D153 PolarHBondContact O-N 2.81Å; D153-S156 WeakPolarHBondContact O-CB 3.34Å; D153-S156 PolarHBondContact O-N 3.29Å; D153-T157 WeakPolarHBondContact O-CB 3.43Å; D153-T157 PolarHBondContact O-N 2.9Å; D153-T157 PolarHBondContact O-OG1 3.42Å |
| 154 | Q | 62.1 | Low | 72.7 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 171.7 | -134.1 | 174.9 | 31.8 | 0 | 0 | 111.3 | G150 L151 T157 L158 | G150-Q154 WeakPolarHBondContact O-CB 3.27Å; G150-Q154 PolarHBondContact O-N 3Å; L151-Q154 PolarHBondContact O-N 3.46Å; Q154-T157 PolarHBondContact O-N 3.07Å; Q154-L158 WeakPolarHBondContact O-CB 3.47Å; Q154-L158 PolarHBondContact O-N 2.81Å |
| 155 | R | 72.9 | Confident | 71.8 | Confident | 166 Ų | 166 | 106.3 Ų | 106.3 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 174.4 | -173.6 | -176.7 | -177.7 | -149.4 | 4.3 | 112 | L151 R152 K159 | L151-R155 WeakPolarHBondContact O-CB 3.43Å; L151-R155 PolarHBondContact O-N 2.93Å; R152-R155 WeakPolarHBondContact O-CB 3.39Å; R152-R155 PolarHBondContact O-N 2.83Å; R155-K159 WeakPolarHBondContact O-CB 3.45Å; R155-K159 WeakPolarHBondContact O-CG 3.43Å; R155-K159 PolarHBondContact O-N 3.36Å |
| 156 | S | 69.8 | Low | 71.2 | Confident | 80 Ų | 80 | 107.7 Ų | 107.7 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -44.3 | 175.3 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | R152 D153 K159 G160 | R152-S156 PolarHBondContact O-N 3.45Å; D153-S156 WeakPolarHBondContact O-CB 3.34Å; D153-S156 PolarHBondContact O-N 3.29Å; S156-K159 PolarHBondContact O-N 2.93Å; S156-G160 PolarHBondContact O-N 3.37Å |
| 157 | T | 71.2 | Confident | 71.2 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | D153 Q154 K159 G160 T161 | D153-T157 WeakPolarHBondContact O-CB 3.43Å; D153-T157 PolarHBondContact O-N 2.9Å; D153-T157 PolarHBondContact O-OG1 3.42Å; Q154-T157 PolarHBondContact O-N 3.07Å; T157-K159 VanDerWaalsContact C-N 3.34Å; T157-K159 PolarHBondContact O-N 2.95Å; T157-G160 CarbonylContact O-C 3.56Å; T157-G160 WeakPolarHBondContact O-CA 3.49Å; T157-G160 PolarHBondContact O-N 2.98Å; T157-T161 PolarHBondContact O-N 2.95Å; T157-T161 PolarHBondContact O-OG1 3.03Å |
| 158 | L | 64 | Low | 70.6 | Confident | 117 Ų | 117 | 106.1 Ų | 106.1 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 175.7 | -90.8 | 156.1 | 0 | 0 | 0 | 112.5 | Q154 G160 T161 H162 | Q154-L158 WeakPolarHBondContact O-CB 3.47Å; Q154-L158 PolarHBondContact O-N 2.81Å; L158-G160 VanDerWaalsContact C-N 3.35Å; L158-T161 PolarHBondContact O-N 2.76Å; L158-H162 WeakPolarHBondContact O-CB 3.49Å; L158-H162 PolarHBondContact O-N 3.32Å |
| 159 | K | 72.1 | Confident | 69.6 | Low | 134 Ų | 134 | 103 Ų | 103 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 171.7 | -83.9 | -174.8 | 173.6 | -173.3 | 0 | 111.9 | R155 S156 T157 K163 | R155-K159 WeakPolarHBondContact O-CB 3.45Å; R155-K159 WeakPolarHBondContact O-CG 3.43Å; R155-K159 PolarHBondContact O-N 3.36Å; S156-K159 PolarHBondContact O-N 2.93Å; T157-K159 VanDerWaalsContact C-N 3.34Å; T157-K159 PolarHBondContact O-N 2.95Å; K159-K163 WeakPolarHBondContact O-CB 3.43Å; K159-K163 PolarHBondContact O-N 3.34Å |
| 160 | G | 68.6 | Low | 68.9 | Low | 34 Ų | 34 | 103.5 Ų | 103.5 | 35% | 0.351 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S156 T157 L158 K163 K164 | S156-G160 PolarHBondContact O-N 3.37Å; T157-G160 CarbonylContact O-C 3.56Å; T157-G160 WeakPolarHBondContact O-CA 3.49Å; T157-G160 PolarHBondContact O-N 2.98Å; L158-G160 VanDerWaalsContact C-N 3.35Å; G160-K163 PolarHBondContact O-N 3.02Å; G160-K164 WeakPolarHBondContact O-CB 3.34Å; G160-K164 WeakPolarHBondContact O-CG 3.47Å; G160-K164 PolarHBondContact O-N 3.33Å |
| 161 | T | 65.3 | Low | 68.1 | Low | 80 Ų | 80 | 106.4 Ų | 106.4 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 112 | T157 L158 K163 K164 M165 | T157-T161 PolarHBondContact O-N 2.95Å; T157-T161 PolarHBondContact O-OG1 3.03Å; L158-T161 PolarHBondContact O-N 2.76Å; T161-K163 VanDerWaalsContact C-N 3.35Å; T161-K163 PolarHBondContact O-N 3.48Å; T161-K164 PolarHBondContact O-N 3.03Å; T161-M165 VanDerWaalsContact O-CB 3.26Å; T161-M165 WeakPolarHBondContact O-CB 3.15Å; T161-M165 PolarHBondContact O-N 2.87Å |
| 162 | H | 56.1 | Low | 67.1 | Low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.616 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 175.2 | -174.2 | -84.9 | 0 | 0 | 0 | 111.7 | L158 M165 L166 | L158-H162 WeakPolarHBondContact O-CB 3.49Å; L158-H162 PolarHBondContact O-N 3.32Å; H162-M165 PolarHBondContact O-N 2.91Å; H162-L166 WeakPolarHBondContact O-CB 3.26Å; H162-L166 PolarHBondContact O-N 3.44Å |
| 163 | K | 68.2 | Low | 66.2 | Low | 140 Ų | 140 | 99.8 Ų | 99.8 | 61% | 0.609 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | 174.5 | -171.2 | 177.2 | 179.6 | -179.7 | 0 | 111.4 | K159 G160 T161 M165 L166 D167 | K159-K163 WeakPolarHBondContact O-CB 3.43Å; K159-K163 PolarHBondContact O-N 3.34Å; G160-K163 PolarHBondContact O-N 3.02Å; T161-K163 VanDerWaalsContact C-N 3.35Å; T161-K163 PolarHBondContact O-N 3.48Å; K163-M165 VanDerWaalsContact C-N 3.33Å; K163-M165 PolarHBondContact O-N 2.91Å; K163-L166 PolarHBondContact O-N 3.3Å; K163-D167 WeakPolarHBondContact O-CB 3.21Å; K163-D167 PolarHBondContact O-N 3.43Å |
| 164 | K | 68.1 | Low | 65.1 | Low | 131 Ų | 131 | 100.1 Ų | 100.1 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 175.2 | -75 | -177.9 | 177.5 | -173.1 | 0 | 112.4 | G160 T161 D167 V168 | G160-K164 WeakPolarHBondContact O-CB 3.34Å; G160-K164 WeakPolarHBondContact O-CG 3.47Å; G160-K164 PolarHBondContact O-N 3.33Å; T161-K164 PolarHBondContact O-N 3.03Å; K164-D167 PolarHBondContact O-N 2.79Å; K164-V168 WeakPolarHBondContact O-CB 3.21Å; K164-V168 WeakPolarHBondContact O-CG2 3.34Å; K164-V168 PolarHBondContact O-N 2.9Å |
| 165 | M | 60.5 | Low | 64.5 | Low | 136 Ų | 136 | 97.8 Ų | 97.8 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.8 | -39.5 | 177.5 | -175.7 | 176.9 | 172.8 | 0 | 0 | 111.5 | T161 H162 K163 V168 A169 | T161-M165 VanDerWaalsContact O-CB 3.26Å; T161-M165 WeakPolarHBondContact O-CB 3.15Å; T161-M165 PolarHBondContact O-N 2.87Å; H162-M165 PolarHBondContact O-N 2.91Å; K163-M165 VanDerWaalsContact C-N 3.33Å; K163-M165 PolarHBondContact O-N 2.91Å; M165-V168 PolarHBondContact O-N 3.36Å; M165-A169 VanDerWaalsContact O-CB 3.28Å; M165-A169 WeakPolarHBondContact O-CB 3.45Å; M165-A169 PolarHBondContact O-N 3.27Å |
| 166 | L | 69.8 | Low | 63.7 | Low | 93 Ų | 93 | 95.6 Ų | 95.6 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 173.2 | -169 | 74.5 | 0 | 0 | 0 | 111.3 | H162 K163 A169 N170 | H162-L166 WeakPolarHBondContact O-CB 3.26Å; H162-L166 PolarHBondContact O-N 3.44Å; K163-L166 PolarHBondContact O-N 3.3Å; L166-A169 PolarHBondContact O-N 3.37Å; L166-N170 WeakPolarHBondContact O-CB 3.33Å; L166-N170 PolarHBondContact O-N 2.83Å; L166-N170 PolarHBondContact O-ND2 3.42Å |
| 167 | D | 71.3 | Confident | 63.4 | Low | 86 Ų | 86 | 95.1 Ų | 95.1 | 46% | 0.46 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 175.8 | -67.4 | -24.2 | 0 | 0 | 0 | 111.4 | K163 K164 M171 | K163-D167 WeakPolarHBondContact O-CB 3.21Å; K163-D167 PolarHBondContact O-N 3.43Å; K164-D167 PolarHBondContact O-N 2.79Å; D167-M171 WeakPolarHBondContact O-CB 3.28Å; D167-M171 PolarHBondContact O-N 3.41Å |
| 168 | V | 66.5 | Low | 62.8 | Low | 57 Ų | 57 | 94.5 Ų | 94.5 | 35% | 0.345 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 173.8 | 169 | 0 | 0 | 0 | 0 | 111.5 | K164 M165 M171 L172 | K164-V168 WeakPolarHBondContact O-CB 3.21Å; K164-V168 WeakPolarHBondContact O-CG2 3.34Å; K164-V168 PolarHBondContact O-N 2.9Å; M165-V168 PolarHBondContact O-N 3.36Å; V168-M171 PolarHBondContact O-N 2.78Å; V168-L172 HydrophobicContact CG1-CD1 3.71Å; V168-L172 HydrophobicContact CG1-CG 4.19Å; V168-L172 WeakPolarHBondContact O-CB 3.19Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 3.28Å |
| 169 | A | 61.8 | Low | 63 | Low | 55 Ų | 55 | 94.4 Ų | 94.4 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M165 L166 L172 G173 | M165-A169 VanDerWaalsContact O-CB 3.28Å; M165-A169 WeakPolarHBondContact O-CB 3.45Å; M165-A169 PolarHBondContact O-N 3.27Å; L166-A169 PolarHBondContact O-N 3.37Å; A169-L172 PolarHBondContact O-N 3.45Å; A169-G173 PolarHBondContact O-N 3.34Å |
| 170 | N | 68.1 | Low | 62.6 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 172.6 | -79.2 | -23.9 | 0 | 0 | 0 | 111.8 | L166 G173 L174 | L166-N170 WeakPolarHBondContact O-CB 3.33Å; L166-N170 PolarHBondContact O-N 2.83Å; L166-N170 PolarHBondContact O-ND2 3.42Å; N170-G173 PolarHBondContact O-N 2.88Å; N170-L174 WeakPolarHBondContact O-CG 3.37Å; N170-L174 PolarHBondContact O-N 3.16Å; N170-L174 VanDerWaalsContact O-N 3.09Å |
| 171 | M | 62.4 | Low | 62.5 | Low | 99 Ų | 99 | 100.4 Ų | 100.4 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.6 | -34.8 | 177.9 | -172.4 | 175.4 | 162.4 | 0 | 0 | 112.9 | D167 V168 L174 S175 | D167-M171 WeakPolarHBondContact O-CB 3.28Å; D167-M171 PolarHBondContact O-N 3.41Å; V168-M171 PolarHBondContact O-N 2.78Å; M171-L174 PolarHBondContact O-N 2.9Å; M171-S175 PolarHBondContact O-N 3.36Å |
| 172 | L | 56.3 | Low | 62.6 | Low | 100 Ų | 100 | 101.7 Ų | 101.7 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.2 | -34.7 | 173.8 | -70.6 | 170.3 | 0 | 0 | 0 | 111.9 | V168 A169 L174 S175 N176 | V168-L172 HydrophobicContact CG1-CD1 3.71Å; V168-L172 HydrophobicContact CG1-CG 4.19Å; V168-L172 WeakPolarHBondContact O-CB 3.19Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 3.28Å; A169-L172 PolarHBondContact O-N 3.45Å; L172-L174 VanDerWaalsContact C-N 3.29Å; L172-L174 PolarHBondContact O-N 3.5Å; L172-S175 PolarHBondContact O-N 3.2Å; L172-N176 PolarHBondContact O-N 3.26Å |
| 173 | G | 58.7 | Low | 63.1 | Low | 46 Ų | 46 | 101.1 Ų | 101.1 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A169 N170 T177 | A169-G173 PolarHBondContact O-N 3.34Å; N170-G173 PolarHBondContact O-N 2.88Å; G173-T177 PolarHBondContact O-OG1 2.87Å |
| 174 | L | 53.4 | Low | 63.2 | Low | 110 Ų | 110 | 102.9 Ų | 102.9 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.2 | -33.1 | 172.1 | -73.2 | 167.6 | 0 | 0 | 0 | 113 | N170 M171 L172 N176 T177 V178 | N170-L174 WeakPolarHBondContact O-CG 3.37Å; N170-L174 PolarHBondContact O-N 3.16Å; N170-L174 VanDerWaalsContact O-N 3.09Å; M171-L174 PolarHBondContact O-N 2.9Å; L172-L174 VanDerWaalsContact C-N 3.29Å; L172-L174 PolarHBondContact O-N 3.5Å; L174-N176 PolarHBondContact O-N 3.24Å; L174-T177 WeakPolarHBondContact CA-OG1 3.34Å; L174-T177 PolarHBondContact O-N 3.05Å; L174-T177 PolarHBondContact O-OG1 2.9Å; L174-V178 WeakPolarHBondContact O-CB 3.36Å; L174-V178 WeakPolarHBondContact O-CG2 3.46Å; L174-V178 PolarHBondContact O-N 3.29Å |
| 175 | S | 50.2 | Low | 63.7 | Low | 67 Ų | 67 | 105.9 Ų | 105.9 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 179.1 | -167.5 | 0 | 0 | 0 | 0 | 112.6 | M171 L172 M179 | M171-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-N 3.2Å; S175-M179 WeakPolarHBondContact O-CB 3.5Å; S175-M179 PolarHBondContact O-N 3.47Å |
| 176 | N | 56 | Low | 64.2 | Low | 120 Ų | 120 | 102.6 Ų | 102.6 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.8 | -32.9 | 175.9 | -91.4 | -21 | 0 | 0 | 0 | 113 | L172 L174 R180 | L172-N176 PolarHBondContact O-N 3.26Å; L174-N176 PolarHBondContact O-N 3.24Å; N176-R180 WeakPolarHBondContact O-CB 3.35Å; N176-R180 WeakPolarHBondContact O-CG 3.46Å; N176-R180 PolarHBondContact O-N 3.09Å; N176-R180 VanDerWaalsContact O-N 3.15Å |
| 177 | T | 62.7 | Low | 64.4 | Low | 71 Ų | 71 | 101.8 Ų | 101.8 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76.7 | -39.6 | 177.3 | 46 | 0 | 0 | 0 | 0 | 111.6 | G173 L174 R180 L181 | G173-T177 PolarHBondContact O-OG1 2.87Å; L174-T177 WeakPolarHBondContact CA-OG1 3.34Å; L174-T177 PolarHBondContact O-N 3.05Å; L174-T177 PolarHBondContact O-OG1 2.9Å; T177-R180 PolarHBondContact O-N 3.46Å; T177-L181 WeakPolarHBondContact O-CB 3.44Å; T177-L181 WeakPolarHBondContact O-CG 3.45Å; T177-L181 PolarHBondContact O-N 3.49Å |
| 178 | V | 59.8 | Low | 64.7 | Low | 79 Ų | 79 | 103 Ų | 103 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.2 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | L174 R180 L181 I182 | L174-V178 WeakPolarHBondContact O-CB 3.36Å; L174-V178 WeakPolarHBondContact O-CG2 3.46Å; L174-V178 PolarHBondContact O-N 3.29Å; V178-R180 PolarHBondContact O-N 3.23Å; V178-L181 PolarHBondContact O-N 3.22Å; V178-I182 HydrophobicContact CG1-CD1 4.05Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 3.45Å |
| 179 | M | 66.6 | Low | 65.4 | Low | 114 Ų | 114 | 105.6 Ų | 105.6 | 56% | 0.562 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.9 | -46.9 | 174.9 | -167 | 97.8 | -174.8 | 0 | 0 | 111.3 | S175 L181 I182 E183 | S175-M179 WeakPolarHBondContact O-CB 3.5Å; S175-M179 PolarHBondContact O-N 3.47Å; M179-L181 PolarHBondContact O-N 3.42Å; M179-I182 PolarHBondContact O-N 2.86Å; M179-E183 PolarHBondContact O-N 3.02Å; M179-E183 VanDerWaalsContact O-N 3.09Å |
| 180 | R | 65.1 | Low | 66.5 | Low | 193 Ų | 193 | 109.4 Ų | 109.4 | 73% | 0.728 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -35.2 | 175.1 | -82 | -178.1 | 173.1 | -179.4 | -0.9 | 113.3 | N176 T177 V178 I182 R184 | N176-R180 WeakPolarHBondContact O-CB 3.35Å; N176-R180 WeakPolarHBondContact O-CG 3.46Å; N176-R180 PolarHBondContact O-N 3.09Å; N176-R180 VanDerWaalsContact O-N 3.15Å; T177-R180 PolarHBondContact O-N 3.46Å; V178-R180 PolarHBondContact O-N 3.23Å; R180-I182 VanDerWaalsContact C-N 3.3Å; R180-I182 PolarHBondContact O-N 3.3Å; R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 PolarHBondContact O-N 3.45Å |
| 181 | L | 66.3 | Low | 67.3 | Low | 101 Ų | 101 | 112.3 Ų | 112.3 | 53% | 0.529 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.5 | -31.4 | 176.6 | -75.1 | 168.2 | 0 | 0 | 0 | 112.1 | T177 V178 M179 R185 | T177-L181 WeakPolarHBondContact O-CB 3.44Å; T177-L181 WeakPolarHBondContact O-CG 3.45Å; T177-L181 PolarHBondContact O-N 3.49Å; V178-L181 PolarHBondContact O-N 3.22Å; M179-L181 PolarHBondContact O-N 3.42Å; L181-R185 WeakPolarHBondContact O-CG 3.44Å; L181-R185 PolarHBondContact O-N 2.93Å |
| 182 | I | 65.8 | Low | 68.5 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 55% | 0.554 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.1 | -46.2 | 175.5 | -66.2 | 165.9 | 0 | 0 | 0 | 110.8 | V178 M179 R180 R184 R185 A186 | V178-I182 HydrophobicContact CG1-CD1 4.05Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 3.45Å; M179-I182 PolarHBondContact O-N 2.86Å; R180-I182 VanDerWaalsContact C-N 3.3Å; R180-I182 PolarHBondContact O-N 3.3Å; I182-R184 VanDerWaalsContact C-N 3.27Å; I182-R184 PolarHBondContact O-N 3.13Å; I182-R185 PolarHBondContact O-N 2.81Å; I182-R185 VanDerWaalsContact O-N 3.16Å; I182-A186 PolarHBondContact O-N 3.15Å |
| 183 | E | 66.8 | Low | 70.1 | Confident | 120 Ų | 120 | 114.4 Ų | 114.4 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.7 | -35.9 | 176.4 | -76.6 | -179.4 | 166.8 | 0 | 0 | 112.6 | M179 A186 T187 | M179-E183 PolarHBondContact O-N 3.02Å; M179-E183 VanDerWaalsContact O-N 3.09Å; E183-A186 PolarHBondContact O-N 2.9Å; E183-T187 PolarHBondContact O-N 2.93Å; E183-T187 VanDerWaalsContact O-N 3.13Å; E183-T187 PolarHBondContact O-OG1 3.09Å |
| 184 | R | 71.9 | Confident | 71.6 | Confident | 177 Ų | 177 | 116 Ų | 116 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.2 | -35.4 | 176.3 | -165.3 | 174.9 | -179.7 | -172.5 | 0.1 | 112.8 | R180 I182 T187 Q188 | R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 PolarHBondContact O-N 3.45Å; I182-R184 VanDerWaalsContact C-N 3.27Å; I182-R184 PolarHBondContact O-N 3.13Å; R184-T187 WeakPolarHBondContact CA-OG1 3.43Å; R184-T187 PolarHBondContact O-OG1 3.27Å; R184-T187 VanDerWaalsContact O-OG1 3.13Å; R184-Q188 VanDerWaalsContact O-CB 3.26Å; R184-Q188 WeakPolarHBondContact O-CB 3.32Å; R184-Q188 PolarHBondContact O-N 3.03Å |
| 185 | R | 77.5 | Confident | 73.6 | Confident | 195 Ų | 195 | 112.6 Ų | 112.6 | 74% | 0.736 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.5 | -41.9 | 176.2 | -75.3 | 179.2 | -179.9 | -153.5 | 0.3 | 111.7 | L181 I182 Q188 D189 | L181-R185 WeakPolarHBondContact O-CG 3.44Å; L181-R185 PolarHBondContact O-N 2.93Å; I182-R185 PolarHBondContact O-N 2.81Å; I182-R185 VanDerWaalsContact O-N 3.16Å; R185-Q188 PolarHBondContact O-N 3.45Å; R185-D189 WeakPolarHBondContact O-CB 3.14Å; R185-D189 PolarHBondContact O-N 3.46Å |
| 186 | A | 71.3 | Confident | 75.6 | Confident | 66 Ų | 66 | 111 Ų | 111 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -38.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | I182 E183 K190 | I182-A186 PolarHBondContact O-N 3.15Å; E183-A186 PolarHBondContact O-N 2.9Å; A186-K190 PolarHBondContact O-N 3.41Å |
| 187 | T | 75.1 | Confident | 77.3 | Confident | 76 Ų | 76 | 111.5 Ų | 111.5 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.4 | -40.9 | 175.6 | 36 | 0 | 0 | 0 | 0 | 112 | E183 R184 K190 F191 | E183-T187 PolarHBondContact O-N 2.93Å; E183-T187 VanDerWaalsContact O-N 3.13Å; E183-T187 PolarHBondContact O-OG1 3.09Å; R184-T187 WeakPolarHBondContact CA-OG1 3.43Å; R184-T187 PolarHBondContact O-OG1 3.27Å; R184-T187 VanDerWaalsContact O-OG1 3.13Å; T187-K190 PolarHBondContact O-N 3.35Å; T187-F191 WeakPolarHBondContact O-CD2 3.18Å; T187-F191 PolarHBondContact O-N 3.4Å |
| 188 | Q | 77.4 | Confident | 78.9 | Confident | 111 Ų | 111 | 113.4 Ų | 113.4 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64 | -41 | 177.4 | -171 | 172.2 | -6.4 | 0 | 0 | 112.3 | R184 R185 K190 F191 I192 | R184-Q188 VanDerWaalsContact O-CB 3.26Å; R184-Q188 WeakPolarHBondContact O-CB 3.32Å; R184-Q188 PolarHBondContact O-N 3.03Å; R185-Q188 PolarHBondContact O-N 3.45Å; Q188-K190 VanDerWaalsContact C-N 3.32Å; Q188-K190 PolarHBondContact O-N 3.11Å; Q188-F191 PolarHBondContact O-N 3.45Å; Q188-I192 HydrophobicContact CG-CD1 4.22Å; Q188-I192 WeakPolarHBondContact O-CG1 3.26Å; Q188-I192 PolarHBondContact O-N 3.02Å |
| 189 | D | 80.6 | Confident | 80.6 | Confident | 112 Ų | 112 | 115.8 Ų | 115.8 | 60% | 0.599 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -40.6 | 176.9 | -163.5 | 42.3 | 0 | 0 | 0 | 111.9 | R185 F191 I192 M193 | R185-D189 WeakPolarHBondContact O-CB 3.14Å; R185-D189 PolarHBondContact O-N 3.46Å; D189-F191 PolarHBondContact O-N 3.35Å; D189-I192 PolarHBondContact O-N 3.26Å; D189-M193 WeakPolarHBondContact O-CB 3.36Å; D189-M193 PolarHBondContact O-N 3.05Å |
| 190 | K | 83.6 | Confident | 81.8 | Confident | 136 Ų | 136 | 114.5 Ų | 114.5 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.8 | -39.5 | 174.4 | -172.5 | 174.4 | 179.7 | 176.9 | 0 | 112.9 | A186 T187 Q188 I194 | A186-K190 PolarHBondContact O-N 3.41Å; T187-K190 PolarHBondContact O-N 3.35Å; Q188-K190 VanDerWaalsContact C-N 3.32Å; Q188-K190 PolarHBondContact O-N 3.11Å; K190-I194 HydrophobicContact CG-CD1 4.05Å; K190-I194 WeakPolarHBondContact O-CG1 3.34Å; K190-I194 PolarHBondContact O-N 3.17Å; K190-I194 VanDerWaalsContact O-N 3.1Å |
| 191 | F | 85.6 | Confident | 83.1 | Confident | 158 Ų | 158 | 108.7 Ų | 108.7 | 69% | 0.693 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.4 | -40.4 | 176.1 | -80.3 | -69.9 | 0 | 0 | 0 | 112.3 | T187 Q188 D189 M193 I194 G195 | T187-F191 WeakPolarHBondContact O-CD2 3.18Å; T187-F191 PolarHBondContact O-N 3.4Å; Q188-F191 PolarHBondContact O-N 3.45Å; D189-F191 PolarHBondContact O-N 3.35Å; F191-M193 VanDerWaalsContact C-N 3.34Å; F191-I194 PolarHBondContact O-N 3.44Å; F191-G195 PolarHBondContact O-N 3.1Å |
| 192 | I | 88.9 | Confident | 84.3 | Confident | 110 Ų | 110 | 107.7 Ų | 107.7 | 56% | 0.564 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.7 | -42.2 | 176.5 | -67.2 | 171.1 | 0 | 0 | 0 | 110.3 | Q188 D189 G195 G196 | Q188-I192 HydrophobicContact CG-CD1 4.22Å; Q188-I192 WeakPolarHBondContact O-CG1 3.26Å; Q188-I192 PolarHBondContact O-N 3.02Å; D189-I192 PolarHBondContact O-N 3.26Å; I192-G195 PolarHBondContact O-N 3.13Å; I192-G196 PolarHBondContact O-N 2.9Å |
| 193 | M | 88.4 | Confident | 85.7 | Confident | 133 Ų | 133 | 109.3 Ų | 109.3 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.8 | -48.5 | 177 | -169.4 | -169.4 | 102.8 | 0 | 0 | 112.2 | D189 F191 G196 M197 | D189-M193 WeakPolarHBondContact O-CB 3.36Å; D189-M193 PolarHBondContact O-N 3.05Å; F191-M193 VanDerWaalsContact C-N 3.34Å; M193-G196 PolarHBondContact O-N 2.93Å; M193-M197 PolarHBondContact O-N 3.2Å; M193-M197 VanDerWaalsContact O-N 3.11Å |
| 194 | I | 90.8 | Very high | 86.8 | Confident | 78 Ų | 78 | 110.1 Ų | 110.1 | 40% | 0.4 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -40.6 | 179.4 | -67.9 | 166.8 | 0 | 0 | 0 | 110.9 | K190 F191 M197 L198 | K190-I194 HydrophobicContact CG-CD1 4.05Å; K190-I194 WeakPolarHBondContact O-CG1 3.34Å; K190-I194 PolarHBondContact O-N 3.17Å; K190-I194 VanDerWaalsContact O-N 3.1Å; F191-I194 PolarHBondContact O-N 3.44Å; I194-M197 PolarHBondContact O-N 3.34Å; I194-L198 HydrophobicContact CG2-CD1 4.4Å; I194-L198 PolarHBondContact O-N 3Å |
| 195 | G | 94.4 | Very high | 87.8 | Confident | 39 Ų | 39 | 108 Ų | 108 | 40% | 0.402 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.9 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F191 I192 M197 L198 L199 | F191-G195 PolarHBondContact O-N 3.1Å; I192-G195 PolarHBondContact O-N 3.13Å; G195-M197 PolarHBondContact O-N 2.91Å; G195-L198 PolarHBondContact O-N 2.94Å; G195-L199 WeakPolarHBondContact O-CB 3.41Å; G195-L199 PolarHBondContact O-N 3.4Å |
| 196 | G | 92.8 | Very high | 88.5 | Confident | 35 Ų | 35 | 102.6 Ų | 102.6 | 36% | 0.361 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I192 M193 T200 | I192-G196 PolarHBondContact O-N 2.9Å; M193-G196 PolarHBondContact O-N 2.93Å; G196-T200 WeakPolarHBondContact O-CG2 3.35Å; G196-T200 PolarHBondContact O-N 2.91Å; G196-T200 VanDerWaalsContact O-N 3.1Å; G196-T200 PolarHBondContact O-OG1 3.42Å |
| 197 | M | 92.7 | Very high | 89.4 | Confident | 130 Ų | 130 | 102.3 Ų | 102.3 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -42.2 | 176.4 | -169 | 178.2 | -178.8 | 0 | 0 | 111.9 | M193 I194 G195 T200 C201 | M193-M197 PolarHBondContact O-N 3.2Å; M193-M197 VanDerWaalsContact O-N 3.11Å; I194-M197 PolarHBondContact O-N 3.34Å; G195-M197 PolarHBondContact O-N 2.91Å; M197-T200 PolarHBondContact O-OG1 2.98Å; M197-C201 PolarHBondContact O-N 3.42Å; M197-C201 VanDerWaalsContact O-N 3.13Å; M197-C201 PolarHBondContact O-SG 3.5Å |
| 198 | L | 95.1 | Very high | 90 | Very high | 110 Ų | 110 | 104.3 Ų | 104.3 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.2 | -42.8 | 176.4 | -82.3 | 171.3 | 0 | 0 | 0 | 112.4 | I194 G195 T200 C201 V202 | I194-L198 HydrophobicContact CG2-CD1 4.4Å; I194-L198 PolarHBondContact O-N 3Å; G195-L198 PolarHBondContact O-N 2.94Å; L198-T200 VanDerWaalsContact C-N 3.32Å; L198-T200 PolarHBondContact O-N 3.37Å; L198-C201 PolarHBondContact O-N 3.1Å; L198-V202 WeakPolarHBondContact O-CG2 3.44Å; L198-V202 PolarHBondContact O-N 2.95Å |
| 199 | L | 95 | Very high | 90.5 | Very high | 129 Ų | 129 | 107.1 Ų | 107.1 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.9 | -45.3 | 178.8 | -172.8 | 85.1 | 0 | 0 | 0 | 111.3 | G195 V202 F203 | G195-L199 WeakPolarHBondContact O-CB 3.41Å; G195-L199 PolarHBondContact O-N 3.4Å; L199-V202 PolarHBondContact O-N 3.4Å; L199-F203 WeakPolarHBondContact O-CB 3.36Å; L199-F203 PolarHBondContact O-N 3.02Å |
| 200 | T | 92.1 | Very high | 90.6 | Very high | 87 Ų | 87 | 110.6 Ų | 110.6 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.7 | -40.7 | 179.1 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | G196 M197 L198 F203 M204 | G196-T200 WeakPolarHBondContact O-CG2 3.35Å; G196-T200 PolarHBondContact O-N 2.91Å; G196-T200 VanDerWaalsContact O-N 3.1Å; G196-T200 PolarHBondContact O-OG1 3.42Å; M197-T200 PolarHBondContact O-OG1 2.98Å; L198-T200 VanDerWaalsContact C-N 3.32Å; L198-T200 PolarHBondContact O-N 3.37Å; T200-F203 PolarHBondContact O-N 3.29Å; T200-M204 PolarHBondContact O-N 3.13Å |
| 201 | C | 92.1 | Very high | 90 | Very high | 72 Ų | 72 | 111.4 Ų | 111.4 | 49% | 0.486 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.5 | -45.7 | 173 | -71.9 | 0 | 0 | 0 | 0 | 112.8 | M197 L198 F203 M204 F205 | M197-C201 PolarHBondContact O-N 3.42Å; M197-C201 VanDerWaalsContact O-N 3.13Å; M197-C201 PolarHBondContact O-SG 3.5Å; L198-C201 PolarHBondContact O-N 3.1Å; C201-F203 VanDerWaalsContact C-N 3.35Å; C201-M204 PolarHBondContact O-N 2.97Å; C201-F205 WeakPolarHBondContact O-CB 3.39Å; C201-F205 PolarHBondContact O-N 3.39Å |
| 202 | V | 93.4 | Very high | 88.5 | Confident | 80 Ų | 80 | 109 Ų | 109 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.3 | -41.4 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L198 L199 F205 L206 | L198-V202 WeakPolarHBondContact O-CG2 3.44Å; L198-V202 PolarHBondContact O-N 2.95Å; L199-V202 PolarHBondContact O-N 3.4Å; V202-F205 PolarHBondContact O-N 2.9Å; V202-L206 HydrophobicContact CG1-CD1 4.02Å; V202-L206 HydrophobicContact CG1-CG 4.37Å; V202-L206 WeakPolarHBondContact O-CG 3.32Å; V202-L206 PolarHBondContact O-N 3.18Å |
| 203 | F | 93.9 | Very high | 88.5 | Confident | 141 Ų | 141 | 108.9 Ų | 108.9 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62 | -47.4 | 176.7 | -173.1 | -96.3 | 0 | 0 | 0 | 111.5 | L199 T200 C201 F205 L206 V207 | L199-F203 WeakPolarHBondContact O-CB 3.36Å; L199-F203 PolarHBondContact O-N 3.02Å; T200-F203 PolarHBondContact O-N 3.29Å; C201-F203 VanDerWaalsContact C-N 3.35Å; F203-F205 VanDerWaalsContact C-N 3.31Å; F203-F205 PolarHBondContact O-N 3.42Å; F203-L206 PolarHBondContact O-N 3.31Å; F203-V207 HydrophobicContact CD1-CG2 4.16Å; F203-V207 HydrophobicContact CE1-CG2 3.82Å; F203-V207 HydrophobicContact CZ-CG2 4.08Å; F203-V207 WeakPolarHBondContact O-CG2 3.34Å; F203-V207 PolarHBondContact O-N 3.4Å |
| 204 | M | 90.3 | Very high | 88.5 | Confident | 137 Ų | 137 | 107.6 Ų | 107.6 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -57.9 | -43.8 | 174.2 | -108.7 | -158.6 | 167.2 | 0 | 0 | 112 | T200 C201 V207 I208 | T200-M204 PolarHBondContact O-N 3.13Å; C201-M204 PolarHBondContact O-N 2.97Å; M204-V207 PolarHBondContact O-N 3.28Å; M204-I208 VanDerWaalsContact O-CG1 3.32Å; M204-I208 WeakPolarHBondContact O-CG1 3.4Å; M204-I208 PolarHBondContact O-N 2.92Å |
| 205 | F | 92.7 | Very high | 88.4 | Confident | 133 Ų | 133 | 109.3 Ų | 109.3 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -45.3 | 178.4 | 178.7 | -96.6 | 0 | 0 | 0 | 112.4 | C201 V202 F203 I208 R209 | C201-F205 WeakPolarHBondContact O-CB 3.39Å; C201-F205 PolarHBondContact O-N 3.39Å; V202-F205 PolarHBondContact O-N 2.9Å; F203-F205 VanDerWaalsContact C-N 3.31Å; F203-F205 PolarHBondContact O-N 3.42Å; F205-I208 PolarHBondContact O-N 2.95Å; F205-R209 WeakPolarHBondContact O-CB 3.39Å; F205-R209 PolarHBondContact O-N 3.28Å |
| 206 | L | 91.7 | Very high | 88 | Confident | 81 Ų | 81 | 113.4 Ų | 113.4 | 42% | 0.424 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.6 | -41.3 | 178.1 | -74.6 | 173.5 | 0 | 0 | 0 | 111.8 | V202 F203 R209 Y210 | V202-L206 HydrophobicContact CG1-CD1 4.02Å; V202-L206 HydrophobicContact CG1-CG 4.37Å; V202-L206 WeakPolarHBondContact O-CG 3.32Å; V202-L206 PolarHBondContact O-N 3.18Å; F203-L206 PolarHBondContact O-N 3.31Å; L206-R209 PolarHBondContact O-N 3.4Å; L206-Y210 HydrophobicContact CD2-CD2 4.23Å; L206-Y210 HydrophobicContact CD2-CE2 4.01Å; L206-Y210 WeakPolarHBondContact O-CB 3.36Å; L206-Y210 PolarHBondContact O-N 2.99Å |
| 207 | V | 90.4 | Very high | 87.7 | Confident | 61 Ų | 61 | 118.3 Ų | 118.3 | 37% | 0.37 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.5 | -46.3 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | F203 M204 R209 L211 | F203-V207 HydrophobicContact CD1-CG2 4.16Å; F203-V207 HydrophobicContact CE1-CG2 3.82Å; F203-V207 HydrophobicContact CZ-CG2 4.08Å; F203-V207 WeakPolarHBondContact O-CG2 3.34Å; F203-V207 PolarHBondContact O-N 3.4Å; M204-V207 PolarHBondContact O-N 3.28Å; V207-R209 VanDerWaalsContact C-N 3.33Å; V207-R209 PolarHBondContact O-N 3.31Å; V207-L211 WeakPolarHBondContact O-CB 3.32Å; V207-L211 PolarHBondContact O-N 2.89Å |
| 208 | I | 88.4 | Confident | 87.4 | Confident | 118 Ų | 118 | 117.5 Ų | 117.5 | 61% | 0.605 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.5 | -38.5 | 178 | -66.8 | 165.7 | 0 | 0 | 0 | 111.6 | M204 F205 G212 | M204-I208 VanDerWaalsContact O-CG1 3.32Å; M204-I208 WeakPolarHBondContact O-CG1 3.4Å; M204-I208 PolarHBondContact O-N 2.92Å; F205-I208 PolarHBondContact O-N 2.95Å; I208-G212 WeakPolarHBondContact O-CA 3.39Å; I208-G212 PolarHBondContact O-N 2.97Å |
| 209 | R | 87.3 | Confident | 86.8 | Confident | 169 Ų | 169 | 118.1 Ų | 118.1 | 64% | 0.638 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76 | -30.3 | -176.3 | -173.6 | 71.8 | 176.8 | 98.3 | -1.2 | 114 | F205 L206 V207 | F205-R209 WeakPolarHBondContact O-CB 3.39Å; F205-R209 PolarHBondContact O-N 3.28Å; L206-R209 PolarHBondContact O-N 3.4Å; V207-R209 VanDerWaalsContact C-N 3.33Å; V207-R209 PolarHBondContact O-N 3.31Å |
| 210 | Y | 82.6 | Confident | 86.2 | Confident | 185 Ų | 185 | 117.2 Ų | 117.2 | 73% | 0.725 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -105 | -26.8 | -174.4 | -84.1 | -87.6 | 0 | 0 | 0 | 114 | L206 | L206-Y210 HydrophobicContact CD2-CD2 4.23Å; L206-Y210 HydrophobicContact CD2-CE2 4.01Å; L206-Y210 WeakPolarHBondContact O-CB 3.36Å; L206-Y210 PolarHBondContact O-N 2.99Å |
| 211 | L | 71 | Confident | 85.7 | Confident | 153 Ų | 153 | 119.8 Ų | 119.8 | 80% | 0.801 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -104.1 | -9.5 | 175.5 | -96.1 | 77.2 | 0 | 0 | 0 | 113.7 | V207 | V207-L211 WeakPolarHBondContact O-CB 3.32Å; V207-L211 PolarHBondContact O-N 2.89Å |
| 212 | G | 54.7 | Low | 85.1 | Confident | 107 Ų | 107 | 124.1 Ų | 124.1 | 100% | 1.103 | 64% | 0.639 | S | S | * | * | trans | -109.2 | 0 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I208 | I208-G212 WeakPolarHBondContact O-CA 3.39Å; I208-G212 PolarHBondContact O-N 2.97Å |
Retrieved 212 of 212 residues in 114.4 ms
(Link to these results)