| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.5 | Low | 70.4 | Confident | 225 Ų | 225 | 120.2 Ų | 120.2 | 100% | 1.108 | 64% | 0.638 | S | S | * | * | 0 | -29.6 | 0 | -71.8 | -79.5 | -107.6 | 0 | 0 | 113.3 | |||||
| 2 | S | 66.4 | Low | 71.1 | Confident | 92 Ų | 92 | 120.4 Ų | 120.4 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.8 | -33.4 | -177.2 | 67.9 | 0 | 0 | 0 | 0 | 115.8 | L4 S5 S6 | S2-L4 PolarHBondContact O-N 3.24Å; S2-S5 PolarHBondContact O-N 3.47Å; S2-S6 PolarHBondContact O-N 3.32Å; S2-S6 PolarHBondContact O-OG 3.04Å |
| 3 | L | 56.3 | Low | 71.5 | Confident | 150 Ų | 150 | 117.7 Ų | 117.7 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.9 | -36.1 | -176.7 | -78.7 | 164.3 | 0 | 0 | 0 | 114.5 | S6 Y7 | L3-S6 PolarHBondContact O-N 3.25Å; L3-Y7 PolarHBondContact O-N 2.92Å; L3-Y7 VanDerWaalsContact O-N 3.12Å |
| 4 | L | 60.5 | Low | 71.8 | Confident | 140 Ų | 140 | 116.7 Ų | 116.7 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.2 | -35.5 | 177.7 | -91.4 | 138.6 | 0 | 0 | 0 | 112.2 | S2 Y7 E8 | S2-L4 PolarHBondContact O-N 3.24Å; L4-Y7 PolarHBondContact O-N 2.81Å; L4-E8 PolarHBondContact O-N 2.9Å; L4-E8 VanDerWaalsContact O-N 3.09Å |
| 5 | S | 71.1 | Confident | 71.8 | Confident | 89 Ų | 89 | 115.7 Ų | 115.7 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.9 | -38.3 | 176.4 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | S2 G9 | S2-S5 PolarHBondContact O-N 3.47Å; S5-G9 PolarHBondContact O-N 2.93Å; S5-G9 VanDerWaalsContact O-N 3.09Å |
| 6 | S | 75.4 | Confident | 72.7 | Confident | 76 Ų | 76 | 117.1 Ų | 117.1 | 53% | 0.531 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.6 | -37.8 | 175 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | S2 L3 G9 L10 | S2-S6 PolarHBondContact O-N 3.32Å; S2-S6 PolarHBondContact O-OG 3.04Å; L3-S6 PolarHBondContact O-N 3.25Å; S6-G9 PolarHBondContact O-N 2.72Å; S6-L10 PolarHBondContact O-N 2.6Å |
| 7 | Y | 79.2 | Confident | 72.7 | Confident | 177 Ų | 177 | 114.7 Ų | 114.7 | 69% | 0.694 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 178.7 | -157.7 | -91.5 | 0 | 0 | 0 | 112.6 | L3 L4 L10 R11 | L3-Y7 PolarHBondContact O-N 2.92Å; L3-Y7 VanDerWaalsContact O-N 3.12Å; L4-Y7 PolarHBondContact O-N 2.81Å; Y7-L10 PolarHBondContact O-N 3.41Å; Y7-R11 WeakPolarHBondContact O-CB 3.23Å; Y7-R11 PolarHBondContact O-N 3.01Å |
| 8 | E | 78.1 | Confident | 72.5 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -39.5 | 173.8 | -77.7 | -66.7 | 162.8 | 0 | 0 | 112.3 | L4 R11 Q12 | L4-E8 PolarHBondContact O-N 2.9Å; L4-E8 VanDerWaalsContact O-N 3.09Å; E8-R11 PolarHBondContact O-N 3.16Å; E8-Q12 WeakPolarHBondContact O-CG 3.37Å; E8-Q12 PolarHBondContact O-N 3.4Å |
| 9 | G | 81.9 | Confident | 73 | Confident | 37 Ų | 37 | 111.8 Ų | 111.8 | 38% | 0.381 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.3 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S5 S6 R11 Q12 E13 | S5-G9 PolarHBondContact O-N 2.93Å; S5-G9 VanDerWaalsContact O-N 3.09Å; S6-G9 PolarHBondContact O-N 2.72Å; G9-R11 VanDerWaalsContact C-N 3.32Å; G9-R11 PolarHBondContact O-N 3.12Å; G9-Q12 PolarHBondContact O-N 3.33Å; G9-E13 PolarHBondContact O-N 3.47Å |
| 10 | L | 74.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 110 Ų | 110 | 60% | 0.597 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.5 | -38 | 176.5 | -125.5 | 119.8 | 0 | 0 | 0 | 112.2 | S6 Y7 E13 I14 | S6-L10 PolarHBondContact O-N 2.6Å; Y7-L10 PolarHBondContact O-N 3.41Å; L10-E13 PolarHBondContact O-N 3.32Å; L10-I14 HydrophobicContact CD2-CD1 4.06Å; L10-I14 WeakPolarHBondContact O-CB 3.4Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.19Å; L10-I14 PolarHBondContact O-N 2.69Å |
| 11 | R | 74.4 | Confident | 73.3 | Confident | 132 Ų | 132 | 108.9 Ų | 108.9 | 50% | 0.498 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.3 | -42.5 | 177.2 | -171.8 | -175.1 | -176.8 | -129 | -0.3 | 111.8 | Y7 E8 G9 Q15 | Y7-R11 WeakPolarHBondContact O-CB 3.23Å; Y7-R11 PolarHBondContact O-N 3.01Å; E8-R11 PolarHBondContact O-N 3.16Å; G9-R11 VanDerWaalsContact C-N 3.32Å; G9-R11 PolarHBondContact O-N 3.12Å; R11-Q15 WeakPolarHBondContact O-CB 3.21Å; R11-Q15 VanDerWaalsContact O-CG 3.3Å; R11-Q15 WeakPolarHBondContact O-CG 3.34Å; R11-Q15 PolarHBondContact O-N 3.31Å |
| 12 | Q | 79.4 | Confident | 74.6 | Confident | 123 Ų | 123 | 103 Ų | 103 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | 177.4 | -71.1 | 174.3 | 12.4 | 0 | 0 | 111.5 | E8 G9 Q15 R16 | E8-Q12 WeakPolarHBondContact O-CG 3.37Å; E8-Q12 PolarHBondContact O-N 3.4Å; G9-Q12 PolarHBondContact O-N 3.33Å; Q12-Q15 PolarHBondContact O-N 2.96Å; Q12-R16 WeakPolarHBondContact O-CB 3.44Å; Q12-R16 PolarHBondContact O-N 3.13Å |
| 13 | E | 75.8 | Confident | 75.3 | Confident | 85 Ų | 85 | 103.7 Ų | 103.7 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.6 | -167.5 | 60.6 | -161.5 | 0 | 0 | 112 | G9 L10 Q15 R16 L17 | G9-E13 PolarHBondContact O-N 3.47Å; L10-E13 PolarHBondContact O-N 3.32Å; E13-Q15 VanDerWaalsContact C-N 3.31Å; E13-Q15 PolarHBondContact O-N 2.92Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-L17 HydrophobicContact CG-CD1 4.3Å; E13-L17 WeakPolarHBondContact O-CB 3.43Å; E13-L17 WeakPolarHBondContact O-CG 3.3Å; E13-L17 PolarHBondContact O-N 2.86Å |
| 14 | I | 75.8 | Confident | 75.8 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 174 | -71.3 | 167.8 | 0 | 0 | 0 | 111 | L10 L17 A18 | L10-I14 HydrophobicContact CD2-CD1 4.06Å; L10-I14 WeakPolarHBondContact O-CB 3.4Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.19Å; L10-I14 PolarHBondContact O-N 2.69Å; I14-L17 PolarHBondContact O-N 2.84Å; I14-A18 VanDerWaalsContact O-CB 3.27Å; I14-A18 WeakPolarHBondContact O-CB 3.27Å; I14-A18 PolarHBondContact O-N 3.01Å |
| 15 | Q | 71.3 | Confident | 76.3 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 178.1 | -77.6 | 179.9 | -25.5 | 0 | 0 | 112.2 | R11 Q12 E13 A18 Q19 | R11-Q15 WeakPolarHBondContact O-CB 3.21Å; R11-Q15 VanDerWaalsContact O-CG 3.3Å; R11-Q15 WeakPolarHBondContact O-CG 3.34Å; R11-Q15 PolarHBondContact O-N 3.31Å; Q12-Q15 PolarHBondContact O-N 2.96Å; E13-Q15 VanDerWaalsContact C-N 3.31Å; E13-Q15 PolarHBondContact O-N 2.92Å; Q15-A18 PolarHBondContact O-N 3.49Å; Q15-Q19 PolarHBondContact O-N 3.42Å |
| 16 | R | 86.3 | Confident | 76.7 | Confident | 137 Ų | 137 | 106.4 Ų | 106.4 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -50.5 | 174.6 | -180 | -172.2 | 165.1 | -172.7 | -3.1 | 111.3 | Q12 E13 A18 Q19 E20 | Q12-R16 WeakPolarHBondContact O-CB 3.44Å; Q12-R16 PolarHBondContact O-N 3.13Å; E13-R16 PolarHBondContact O-N 2.94Å; R16-A18 VanDerWaalsContact C-N 3.28Å; R16-A18 PolarHBondContact O-N 3.23Å; R16-Q19 PolarHBondContact O-N 2.8Å; R16-Q19 VanDerWaalsContact O-N 3.09Å; R16-E20 IonicContact CZ-OE1 2.73Å; R16-E20 IonicContact NE-OE1 2.68Å; R16-E20 PolarHBondContact NE-OE1 3.44Å; R16-E20 IonicContact NH2-OE1 3.99Å; R16-E20 PolarHBondContact NH2-OE1 3.26Å; R16-E20 PolarHBondContact O-N 3.34Å |
| 17 | L | 72.3 | Confident | 76.4 | Confident | 77 Ų | 77 | 107.5 Ų | 107.5 | 40% | 0.403 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 177.8 | -72.7 | 171 | 0 | 0 | 0 | 111.9 | E13 I14 Q19 N21 | E13-L17 HydrophobicContact CG-CD1 4.3Å; E13-L17 WeakPolarHBondContact O-CB 3.43Å; E13-L17 WeakPolarHBondContact O-CG 3.3Å; E13-L17 PolarHBondContact O-N 2.86Å; I14-L17 PolarHBondContact O-N 2.84Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-N21 VanDerWaalsContact O-CB 3.31Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 2.97Å; L17-N21 PolarHBondContact O-ND2 3.35Å |
| 18 | A | 69.8 | Low | 76.1 | Confident | 57 Ų | 57 | 103.3 Ų | 103.3 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I14 Q15 R16 N21 E22 | I14-A18 VanDerWaalsContact O-CB 3.27Å; I14-A18 WeakPolarHBondContact O-CB 3.27Å; I14-A18 PolarHBondContact O-N 3.01Å; Q15-A18 PolarHBondContact O-N 3.49Å; R16-A18 VanDerWaalsContact C-N 3.28Å; R16-A18 PolarHBondContact O-N 3.23Å; A18-N21 PolarHBondContact O-N 2.87Å; A18-E22 PolarHBondContact O-N 3.08Å |
| 19 | Q | 81.8 | Confident | 75.8 | Confident | 117 Ų | 117 | 104.3 Ų | 104.3 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 177.9 | -171.6 | 171.4 | -17.6 | 0 | 0 | 112.3 | Q15 R16 L17 N21 E22 E23 | Q15-Q19 PolarHBondContact O-N 3.42Å; R16-Q19 PolarHBondContact O-N 2.8Å; R16-Q19 VanDerWaalsContact O-N 3.09Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-N21 VanDerWaalsContact C-N 3.29Å; Q19-N21 PolarHBondContact O-N 3.33Å; Q19-E22 WeakPolarHBondContact O-CB 3.39Å; Q19-E22 PolarHBondContact O-N 2.68Å; Q19-E22 VanDerWaalsContact O-N 3.08Å; Q19-E23 PolarHBondContact O-N 3.35Å |
| 20 | E | 80.3 | Confident | 75.4 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 173.5 | -75.3 | 177.8 | -171.5 | 0 | 0 | 110.9 | R16 E22 E23 L24 | R16-E20 IonicContact CZ-OE1 2.73Å; R16-E20 IonicContact NE-OE1 2.68Å; R16-E20 PolarHBondContact NE-OE1 3.44Å; R16-E20 IonicContact NH2-OE1 3.99Å; R16-E20 PolarHBondContact NH2-OE1 3.26Å; R16-E20 PolarHBondContact O-N 3.34Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 2.82Å; E20-E23 PolarHBondContact O-N 3.22Å; E20-L24 WeakPolarHBondContact O-CB 3.46Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.76Å |
| 21 | N | 71.8 | Confident | 75.4 | Confident | 87 Ų | 87 | 106 Ų | 106 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -34.2 | 174.7 | -82.8 | -57.4 | 0 | 0 | 0 | 113 | L17 A18 Q19 R25 | L17-N21 VanDerWaalsContact O-CB 3.31Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 2.97Å; L17-N21 PolarHBondContact O-ND2 3.35Å; A18-N21 PolarHBondContact O-N 2.87Å; Q19-N21 VanDerWaalsContact C-N 3.29Å; Q19-N21 PolarHBondContact O-N 3.33Å; N21-R25 WeakPolarHBondContact O-CB 3.25Å; N21-R25 WeakPolarHBondContact O-CG 3.4Å; N21-R25 PolarHBondContact O-N 2.95Å |
| 22 | E | 84.8 | Confident | 75 | Confident | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 175.4 | -161.6 | -172.6 | 156.2 | 0 | 0 | 111.6 | A18 Q19 E20 R25 R26 | A18-E22 PolarHBondContact O-N 3.08Å; Q19-E22 WeakPolarHBondContact O-CB 3.39Å; Q19-E22 PolarHBondContact O-N 2.68Å; Q19-E22 VanDerWaalsContact O-N 3.08Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 2.82Å; E22-R25 PolarHBondContact O-N 2.76Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 2.73Å; E22-R26 IonicContact OE1-CZ 2.7Å; E22-R26 IonicContact OE1-NE 3.44Å; E22-R26 IonicContact OE1-NH2 2.72Å; E22-R26 PolarHBondContact OE1-NH2 3.37Å |
| 23 | E | 79.8 | Confident | 74.7 | Confident | 107 Ų | 107 | 103.2 Ų | 103.2 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 176.4 | -70.9 | -175.6 | -178.9 | 0 | 0 | 112 | Q19 E20 R25 R26 L27 | Q19-E23 PolarHBondContact O-N 3.35Å; E20-E23 PolarHBondContact O-N 3.22Å; E23-R25 VanDerWaalsContact C-N 3.34Å; E23-R25 PolarHBondContact O-N 2.83Å; E23-R26 PolarHBondContact O-N 2.82Å; E23-L27 PolarHBondContact O-N 2.98Å |
| 24 | L | 68.4 | Low | 74.2 | Confident | 98 Ų | 98 | 103.6 Ų | 103.6 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 173.8 | -72.7 | 171.3 | 0 | 0 | 0 | 111.6 | E20 R26 L27 V28 | E20-L24 WeakPolarHBondContact O-CB 3.46Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.76Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.24Å; L24-L27 PolarHBondContact O-N 3.5Å; L24-V28 WeakPolarHBondContact O-CG2 3.11Å; L24-V28 PolarHBondContact O-N 3.45Å |
| 25 | R | 69.8 | Low | 73.8 | Confident | 192 Ų | 192 | 104.4 Ų | 104.4 | 73% | 0.725 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -39.9 | 174.7 | -77.6 | 172.8 | 178.2 | -170.4 | 0.4 | 112.1 | N21 E22 E23 V28 Q29 | N21-R25 WeakPolarHBondContact O-CB 3.25Å; N21-R25 WeakPolarHBondContact O-CG 3.4Å; N21-R25 PolarHBondContact O-N 2.95Å; E22-R25 PolarHBondContact O-N 2.76Å; E23-R25 VanDerWaalsContact C-N 3.34Å; E23-R25 PolarHBondContact O-N 2.83Å; R25-V28 PolarHBondContact O-N 2.9Å; R25-Q29 WeakPolarHBondContact O-CB 3.19Å; R25-Q29 PolarHBondContact O-N 2.94Å |
| 26 | R | 80.2 | Confident | 73.9 | Confident | 146 Ų | 146 | 105.4 Ų | 105.4 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 174.5 | -72.1 | -178.9 | -168.3 | 176.5 | 6.1 | 112.3 | E22 E23 L24 Q29 L30 | E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 2.73Å; E22-R26 IonicContact OE1-CZ 2.7Å; E22-R26 IonicContact OE1-NE 3.44Å; E22-R26 IonicContact OE1-NH2 2.72Å; E22-R26 PolarHBondContact OE1-NH2 3.37Å; E23-R26 PolarHBondContact O-N 2.82Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.24Å; R26-Q29 PolarHBondContact O-N 3.44Å; R26-L30 WeakPolarHBondContact O-CB 3.42Å; R26-L30 WeakPolarHBondContact O-CG 3.34Å; R26-L30 PolarHBondContact O-N 3.31Å |
| 27 | L | 69.3 | Low | 73 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 175.4 | -76.1 | 171.3 | 0 | 0 | 0 | 111.8 | E23 L24 Q29 L30 I31 | E23-L27 PolarHBondContact O-N 2.98Å; L24-L27 PolarHBondContact O-N 3.5Å; L27-Q29 VanDerWaalsContact C-N 3.32Å; L27-Q29 PolarHBondContact O-N 3.45Å; L27-L30 PolarHBondContact O-N 2.96Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.43Å |
| 28 | V | 73.2 | Confident | 72.4 | Confident | 89 Ų | 89 | 106.3 Ų | 106.3 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 174.8 | 172 | 0 | 0 | 0 | 0 | 110.8 | L24 R25 I31 Q32 | L24-V28 WeakPolarHBondContact O-CG2 3.11Å; L24-V28 PolarHBondContact O-N 3.45Å; R25-V28 PolarHBondContact O-N 2.9Å; V28-I31 PolarHBondContact O-N 3.21Å; V28-Q32 PolarHBondContact O-N 3.29Å |
| 29 | Q | 71.9 | Confident | 71.9 | Confident | 111 Ų | 111 | 108.7 Ų | 108.7 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.7 | -174.9 | 178.4 | -16.9 | 0 | 0 | 112 | R25 R26 L27 I31 Q32 E33 | R25-Q29 WeakPolarHBondContact O-CB 3.19Å; R25-Q29 PolarHBondContact O-N 2.94Å; R26-Q29 PolarHBondContact O-N 3.44Å; L27-Q29 VanDerWaalsContact C-N 3.32Å; L27-Q29 PolarHBondContact O-N 3.45Å; Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.03Å; Q29-Q32 PolarHBondContact O-N 2.88Å; Q29-E33 HydrophobicContact CG-CG 4.48Å; Q29-E33 PolarHBondContact NE2-OE1 2.89Å; Q29-E33 WeakPolarHBondContact O-CG 3.41Å; Q29-E33 PolarHBondContact O-N 2.72Å |
| 30 | L | 73 | Confident | 71.1 | Confident | 90 Ų | 90 | 106.6 Ų | 106.6 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 176.4 | -76.5 | 169.6 | 0 | 0 | 0 | 112.5 | R26 L27 N34 | R26-L30 WeakPolarHBondContact O-CB 3.42Å; R26-L30 WeakPolarHBondContact O-CG 3.34Å; R26-L30 PolarHBondContact O-N 3.31Å; L27-L30 PolarHBondContact O-N 2.96Å; L30-N34 VanDerWaalsContact O-CB 3.28Å; L30-N34 WeakPolarHBondContact O-CB 3.45Å; L30-N34 VanDerWaalsContact O-CG 3.3Å; L30-N34 PolarHBondContact O-N 2.99Å; L30-N34 PolarHBondContact O-ND2 2.95Å |
| 31 | I | 75 | Confident | 70.4 | Confident | 97 Ų | 97 | 109 Ų | 109 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 174.8 | -71.1 | 164.5 | 0 | 0 | 0 | 109.9 | L27 V28 Q29 N34 Q35 | L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.43Å; V28-I31 PolarHBondContact O-N 3.21Å; Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.03Å; I31-N34 PolarHBondContact O-N 2.91Å; I31-Q35 WeakPolarHBondContact O-CG 3.43Å; I31-Q35 PolarHBondContact O-N 3.34Å |
| 32 | Q | 65.3 | Low | 70 | Confident | 111 Ų | 111 | 114.3 Ų | 114.3 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | -179.7 | -168.2 | 156.5 | -16.3 | 0 | 0 | 112.3 | V28 Q29 N34 Q35 E36 | V28-Q32 PolarHBondContact O-N 3.29Å; Q29-Q32 PolarHBondContact O-N 2.88Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 2.91Å; Q32-Q35 WeakPolarHBondContact O-CB 3.41Å; Q32-Q35 PolarHBondContact O-N 2.67Å; Q32-Q35 VanDerWaalsContact O-N 3.08Å; Q32-E36 PolarHBondContact O-N 2.7Å |
| 33 | E | 72.3 | Confident | 68.8 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 40% | 0.402 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60 | -41 | 173.2 | -73.4 | 175.8 | -168.9 | 0 | 0 | 111.5 | Q29 Q35 E36 L37 | Q29-E33 HydrophobicContact CG-CG 4.48Å; Q29-E33 PolarHBondContact NE2-OE1 2.89Å; Q29-E33 WeakPolarHBondContact O-CG 3.41Å; Q29-E33 PolarHBondContact O-N 2.72Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.97Å; E33-E36 PolarHBondContact O-N 3.44Å; E33-L37 WeakPolarHBondContact O-CB 3.17Å; E33-L37 WeakPolarHBondContact O-CG 3.2Å; E33-L37 PolarHBondContact O-N 2.67Å |
| 34 | N | 66.3 | Low | 67.4 | Low | 93 Ų | 93 | 117.7 Ų | 117.7 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -33 | 174.7 | -82.7 | -52.1 | 0 | 0 | 0 | 112.8 | L30 I31 Q32 K38 | L30-N34 VanDerWaalsContact O-CB 3.28Å; L30-N34 WeakPolarHBondContact O-CB 3.45Å; L30-N34 VanDerWaalsContact O-CG 3.3Å; L30-N34 PolarHBondContact O-N 2.99Å; L30-N34 PolarHBondContact O-ND2 2.95Å; I31-N34 PolarHBondContact O-N 2.91Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 2.91Å; N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 2.66Å; N34-K38 VanDerWaalsContact O-N 3.15Å |
| 35 | Q | 66.7 | Low | 66.5 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.8 | -41.9 | 174.7 | -74.1 | 177.9 | -6.5 | 0 | 0 | 111.8 | I31 Q32 E33 K38 L39 | I31-Q35 WeakPolarHBondContact O-CG 3.43Å; I31-Q35 PolarHBondContact O-N 3.34Å; Q32-Q35 WeakPolarHBondContact O-CB 3.41Å; Q32-Q35 PolarHBondContact O-N 2.67Å; Q32-Q35 VanDerWaalsContact O-N 3.08Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.97Å; Q35-K38 WeakPolarHBondContact O-CB 3.5Å; Q35-K38 PolarHBondContact O-N 3.05Å; Q35-L39 PolarHBondContact O-N 2.96Å |
| 36 | E | 73.4 | Confident | 65.2 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.2 | -43.4 | 175.8 | -71.7 | -175.2 | 177.7 | 0 | 0 | 111.9 | Q32 E33 K38 L39 V40 | Q32-E36 PolarHBondContact O-N 2.7Å; E33-E36 PolarHBondContact O-N 3.44Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.01Å; E36-L39 WeakPolarHBondContact O-CB 3.5Å; E36-L39 PolarHBondContact O-N 2.89Å; E36-V40 WeakPolarHBondContact O-CG2 3.3Å; E36-V40 PolarHBondContact O-N 2.8Å |
| 37 | L | 67.1 | Low | 63.2 | Low | 105 Ų | 105 | 108.3 Ų | 108.3 | 55% | 0.55 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.5 | -42.5 | 174.9 | -75.5 | 169.9 | 0 | 0 | 0 | 111.8 | E33 L39 V40 L41 | E33-L37 WeakPolarHBondContact O-CB 3.17Å; E33-L37 WeakPolarHBondContact O-CG 3.2Å; E33-L37 PolarHBondContact O-N 2.67Å; L37-L39 VanDerWaalsContact C-N 3.28Å; L37-L39 PolarHBondContact O-N 2.63Å; L37-V40 PolarHBondContact O-N 2.71Å; L37-L41 WeakPolarHBondContact O-CB 3Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.24Å |
| 38 | K | 60.9 | Low | 61.8 | Low | 129 Ų | 129 | 110.3 Ų | 110.3 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.2 | -39.2 | 173.8 | -80.2 | 179.2 | 179.7 | -176.1 | 0 | 112 | N34 Q35 E36 R42 | N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 2.66Å; N34-K38 VanDerWaalsContact O-N 3.15Å; Q35-K38 WeakPolarHBondContact O-CB 3.5Å; Q35-K38 PolarHBondContact O-N 3.05Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.01Å; K38-R42 WeakPolarHBondContact O-CB 3.44Å; K38-R42 PolarHBondContact O-N 2.84Å |
| 39 | L | 59.3 | Low | 59.9 | Low | 107 Ų | 107 | 109.6 Ų | 109.6 | 56% | 0.56 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.7 | -40.6 | -178 | -148.5 | 135.6 | 0 | 0 | 0 | 111.8 | Q35 E36 L37 R42 N43 | Q35-L39 PolarHBondContact O-N 2.96Å; E36-L39 WeakPolarHBondContact O-CB 3.5Å; E36-L39 PolarHBondContact O-N 2.89Å; L37-L39 VanDerWaalsContact C-N 3.28Å; L37-L39 PolarHBondContact O-N 2.63Å; L39-R42 PolarHBondContact O-N 3.19Å; L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 2.88Å |
| 40 | V | 65.3 | Low | 58.1 | Low | 72 Ų | 72 | 114 Ų | 114 | 44% | 0.436 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.7 | -42.4 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | E36 L37 N43 R44 | E36-V40 WeakPolarHBondContact O-CG2 3.3Å; E36-V40 PolarHBondContact O-N 2.8Å; L37-V40 PolarHBondContact O-N 2.71Å; V40-N43 PolarHBondContact O-N 2.82Å; V40-R44 WeakPolarHBondContact O-CB 3.48Å; V40-R44 WeakPolarHBondContact O-CG 3.41Å; V40-R44 PolarHBondContact O-N 2.83Å |
| 41 | L | 65.6 | Low | 56.1 | Low | 126 Ų | 126 | 114.3 Ų | 114.3 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -40.3 | 175.9 | -71.5 | 170.3 | 0 | 0 | 0 | 111.7 | L37 G45 | L37-L41 WeakPolarHBondContact O-CB 3Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.24Å; L41-G45 PolarHBondContact O-N 2.85Å |
| 42 | R | 62 | Low | 54.5 | Low | 199 Ų | 199 | 114.5 Ų | 114.5 | 75% | 0.751 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -43.7 | 175.7 | -169.3 | 178.6 | -175.8 | -173.2 | 1.5 | 112.1 | K38 L39 G45 S46 | K38-R42 WeakPolarHBondContact O-CB 3.44Å; K38-R42 PolarHBondContact O-N 2.84Å; L39-R42 PolarHBondContact O-N 3.19Å; R42-G45 PolarHBondContact O-N 2.88Å; R42-S46 PolarHBondContact O-N 2.94Å; R42-S46 PolarHBondContact O-OG 3.25Å; R42-S46 VanDerWaalsContact O-OG 3.1Å |
| 43 | N | 60 | Low | 53.3 | Low | 96 Ų | 96 | 115 Ų | 115 | 51% | 0.513 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74.1 | -27.3 | -178.6 | -74 | -9.6 | 0 | 0 | 0 | 113.8 | L39 V40 S46 | L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 2.88Å; V40-N43 PolarHBondContact O-N 2.82Å; N43-S46 WeakPolarHBondContact CA-OG 3.33Å; N43-S46 PolarHBondContact O-OG 2.85Å; N43-S46 VanDerWaalsContact O-OG 3.08Å |
| 44 | R | 51.3 | Low | 51.7 | Low | 182 Ų | 182 | 114.1 Ų | 114.1 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.6 | -27.2 | 172.6 | -73 | -174.7 | 174.8 | -170.3 | -0.5 | 112.9 | V40 S46 S47 | V40-R44 WeakPolarHBondContact O-CB 3.48Å; V40-R44 WeakPolarHBondContact O-CG 3.41Å; V40-R44 PolarHBondContact O-N 2.83Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 3.01Å; R44-S47 PolarHBondContact O-OG 2.86Å |
| 45 | G | 48.1 | Very low | 50.1 | Low | 57 Ų | 57 | 116.7 Ų | 116.7 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.9 | -23.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L41 R42 | L41-G45 PolarHBondContact O-N 2.85Å; R42-G45 PolarHBondContact O-N 2.88Å |
| 46 | S | 42.8 | Very low | 48.6 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -91.1 | -12.5 | 177.9 | 43.4 | 0 | 0 | 0 | 0 | 114.7 | R42 N43 R44 | R42-S46 PolarHBondContact O-N 2.94Å; R42-S46 PolarHBondContact O-OG 3.25Å; R42-S46 VanDerWaalsContact O-OG 3.1Å; N43-S46 WeakPolarHBondContact CA-OG 3.33Å; N43-S46 PolarHBondContact O-OG 2.85Å; N43-S46 VanDerWaalsContact O-OG 3.08Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 3.01Å |
| 47 | S | 38.2 | Very low | 46.8 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -91.5 | -4.7 | 176.2 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | R44 | R44-S47 PolarHBondContact O-OG 2.86Š|
| 48 | L | 39.6 | Very low | 45.2 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -114 | 98.8 | 174.2 | -79.4 | 157.7 | 0 | 0 | 0 | 108.2 | ||
| 49 | G | 34.8 | Very low | 44.1 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | trans | -64.4 | 144.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 50 | F | 33.3 | Very low | 43 | Very low | 204 Ų | 204 | 117 Ų | 117 | 90% | 0.895 | 69% | 0.691 | S | S | * | * | trans | 102.7 | 132.3 | 153.6 | -108.1 | -102.3 | 0 | 0 | 0 | 121.9 | ||||
| 51 | C | 30 | Very low | 41.8 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | trans | 14 | 138 | 155.7 | -69.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 52 | S | 42.9 | Very low | 40.2 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 38.1 | 127.4 | 138.9 | 67 | 0 | 0 | 0 | 0 | 121 | ||
| 53 | S | 40.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 111.9 Ų | 111.9 | 85% | 0.846 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 51.2 | 93.8 | 149.4 | 59.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 54 | G | 37.7 | Very low | 37.6 | Very low | 68 Ų | 68 | 118.7 Ų | 118.7 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | 167.5 | -14.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 55 | F | 32.6 | Very low | 36.6 | Very low | 147 Ų | 147 | 115.9 Ų | 115.9 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 25 | -160.7 | -134.4 | -93.2 | 0 | 0 | 0 | 117.5 | E58 V59 | F55-E58 HydrophobicContact CZ-CB 4.43Å; F55-V59 HydrophobicContact CD1-CG2 4.16Å; F55-V59 HydrophobicContact CE1-CG2 4.19Å |
| 56 | L | 36.3 | Very low | 35.9 | Very low | 177 Ų | 177 | 119 Ų | 119 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -7.4 | 171.2 | -76.9 | 174.3 | 0 | 0 | 0 | 114 | ||
| 57 | A | 35.6 | Very low | 35.4 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -88.7 | -21.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 58 | E | 32.9 | Very low | 35.1 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -108 | -7.4 | -164.7 | -151.6 | 163.8 | -171.3 | 0 | 0 | 115.3 | F55 A60 | F55-E58 HydrophobicContact CZ-CB 4.43Å; E58-A60 VanDerWaalsContact C-N 3.25Å; E58-A60 PolarHBondContact O-N 2.88Å |
| 59 | V | 37.6 | Very low | 34.5 | Very low | 92 Ų | 92 | 138 Ų | 138 | 56% | 0.558 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -77.4 | -13.4 | 175 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | F55 A61 | F55-V59 HydrophobicContact CD1-CG2 4.16Å; F55-V59 HydrophobicContact CE1-CG2 4.19Å; V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 3.49Å |
| 60 | A | 37.1 | Very low | 34.1 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -75.6 | -11.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E58 | E58-A60 VanDerWaalsContact C-N 3.25Å; E58-A60 PolarHBondContact O-N 2.88Å |
| 61 | A | 38.5 | Very low | 33.9 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -116 | 12.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V59 P63 | V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 3.49Å; A61-P63 WeakPolarHBondContact O-CD 3.29Å |
| 62 | S | 33.4 | Very low | 33.6 | Very low | 80 Ų | 80 | 141 Ų | 141 | 56% | 0.559 | 76% | 0.758 | S | S | * | * | trans | -85.1 | 122 | 179.3 | -91.8 | 0 | 0 | 0 | 0 | 113 | W64 | S62-W64 PolarHBondContact O-N 2.71Å; S62-W64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | P | 34.1 | Very low | 32.8 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -2.8 | -176 | -18.7 | 31.4 | 0 | 0 | 0 | 116.3 | A61 | A61-P63 WeakPolarHBondContact O-CD 3.29Š|
| 64 | W | 32.5 | Very low | 32.2 | Very low | 240 Ų | 240 | 149.1 Ų | 149.1 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 20 | -166.8 | -99.9 | 84.9 | 0 | 0 | 0 | 114.7 | S62 | S62-W64 PolarHBondContact O-N 2.71Å; S62-W64 VanDerWaalsContact O-N 3.1Å |
| 65 | L | 30.9 | Very low | 32.1 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 64% | 0.644 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -86.3 | 124 | 169.9 | -83.4 | 154.2 | 0 | 0 | 0 | 110 | R67 | L65-R67 PolarHBondContact O-N 2.89Š|
| 66 | P | 32.4 | Very low | 32.1 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128.8 | 171.4 | 23.7 | -30 | 0 | 0 | 0 | 109.2 | R68 | P66-R68 PolarHBondContact O-N 3.35Š|
| 67 | R | 32.4 | Very low | 32 | Very low | 245 Ų | 245 | 151.4 Ų | 151.4 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 127.1 | -177.8 | -73.1 | -178.2 | 172.4 | -153.6 | -1.9 | 110.8 | L65 R69 | L65-R67 PolarHBondContact O-N 2.89Å; R67-R69 PolarHBondContact O-N 3.17Å |
| 68 | R | 31.5 | Very low | 31.8 | Very low | 239 Ų | 239 | 157.7 Ų | 157.7 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -42.3 | 112.3 | 170.9 | -85.7 | -179.1 | 169.6 | -164.2 | -2.4 | 110.4 | P66 T70 | P66-R68 PolarHBondContact O-N 3.35Å; R68-T70 PolarHBondContact O-N 3.26Å | ||
| 69 | R | 27.5 | Very low | 31.7 | Very low | 240 Ų | 240 | 158.1 Ų | 158.1 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -80 | 102.2 | 157.8 | -84.6 | -174.9 | 175.5 | 179.6 | -0.2 | 107.4 | R67 I71 | R67-R69 PolarHBondContact O-N 3.17Å; R69-I71 PolarHBondContact O-N 2.75Å; R69-I71 VanDerWaalsContact O-N 3.08Å | ||
| 70 | T | 26.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 162.5 Ų | 162.5 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -64.2 | 103.1 | 168 | -44.4 | 0 | 0 | 0 | 0 | 108.3 | R68 K72 | R68-T70 PolarHBondContact O-N 3.26Å; T70-K72 PolarHBondContact O-N 3.48Å | ||
| 71 | I | 28.5 | Very low | 31 | Very low | 134 Ų | 134 | 163.7 Ų | 163.7 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -75.3 | 107.5 | 169.4 | -61.9 | 175.4 | 0 | 0 | 0 | 106.6 | R69 F73 | R69-I71 PolarHBondContact O-N 2.75Å; R69-I71 VanDerWaalsContact O-N 3.08Å; I71-F73 HydrophobicContact CG2-CE2 4.37Å; I71-F73 PolarHBondContact O-N 2.88Å | ||
| 72 | K | 23.9 | Very low | 31 | Very low | 182 Ų | 182 | 163.5 Ų | 163.5 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -79 | 112.2 | 169.8 | -70.2 | -171.2 | 177 | -175.1 | 0 | 108.2 | T70 K74 | T70-K72 PolarHBondContact O-N 3.48Å; K72-K74 PolarHBondContact O-N 3.07Å | ||
| 73 | F | 26.9 | Very low | 30.8 | Very low | 195 Ų | 195 | 167.9 Ų | 167.9 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -70.2 | 117.7 | 165.1 | -70.8 | -87.1 | 0 | 0 | 0 | 108.2 | I71 | I71-F73 HydrophobicContact CG2-CE2 4.37Å; I71-F73 PolarHBondContact O-N 2.88Å | ||
| 74 | K | 26.7 | Very low | 30.7 | Very low | 197 Ų | 197 | 167.7 Ų | 167.7 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -88.6 | 134.2 | 169.4 | -83.1 | -175.3 | 172.7 | -176.7 | 0 | 108.6 | K72 | K72-K74 PolarHBondContact O-N 3.07Š| ||
| 75 | N | 37.1 | Very low | 31 | Very low | 158 Ų | 158 | 160.9 Ų | 160.9 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -37.4 | 130.3 | 174.3 | -70.4 | -10.3 | 0 | 0 | 0 | 113 | ||||
| 76 | A | 31.1 | Very low | 31.3 | Very low | 102 Ų | 102 | 164 Ų | 164 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -117.9 | 81 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 77 | E | 36 | Very low | 31.5 | Very low | 181 Ų | 181 | 167.4 Ų | 167.4 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | -83.6 | 114.5 | 154.9 | -71.7 | 177 | 168.7 | 0 | 0 | 107.3 | ||||
| 78 | R | 30.1 | Very low | 31.5 | Very low | 221 Ų | 221 | 162.1 Ų | 162.1 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -145.6 | 118.4 | 159.5 | -74.9 | -165.4 | -172.1 | 172.3 | 3.5 | 110.6 | ||||
| 79 | V | 31.7 | Very low | 31.6 | Very low | 143 Ų | 143 | 160 Ų | 160 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -86.8 | 137.3 | 168 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 80 | F | 28.5 | Very low | 31.8 | Very low | 184 Ų | 184 | 158 Ų | 158 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -109.9 | 132.1 | 176.1 | -73 | -81.9 | 0 | 0 | 0 | 111.3 | ||||
| 81 | P | 30.4 | Very low | 32 | Very low | 125 Ų | 125 | 158 Ų | 158 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -102.7 | 137.9 | 174.1 | 35.3 | -26.3 | 0 | 0 | 0 | 113.5 | ||||
| 82 | G | 40.1 | Very low | 32.2 | Very low | 77 Ų | 77 | 155.8 Ų | 155.8 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 82.3 | 97.6 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 83 | L | 27.9 | Very low | 32.5 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -145.6 | 145.3 | 151.8 | -87.6 | 169.1 | 0 | 0 | 0 | 110.2 | ||||
| 84 | P | 31.6 | Very low | 32.8 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -90.1 | 160.9 | -170.7 | 35.8 | -31.8 | 0 | 0 | 0 | 114 | ||||
| 85 | A | 40 | Very low | 33.3 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -80.6 | 126.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 86 | E | 37.4 | Very low | 33.3 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | 162.1 | 146.2 | 117.5 | -87.6 | -169.1 | 173.3 | 0 | 0 | 111.3 | |||||
| 87 | E | 35.9 | Very low | 33.7 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | 79.6 | 66.8 | 176.8 | -64 | -171.4 | 153.7 | 0 | 0 | 118.2 | ||||
| 88 | L | 33.5 | Very low | 34 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 71% | 0.707 | 72% | 0.718 | S | S | * | * | trans | -123.5 | 120.3 | 144.2 | -128.7 | 97.9 | 0 | 0 | 0 | 108.8 | W90 S92 | L88-W90 HydrophobicContact CD2-CB 4.33Å; L88-W90 PolarHBondContact O-N 3.28Å; L88-S92 PolarHBondContact O-OG 2.93Å | ||
| 89 | L | 31.6 | Very low | 34.5 | Very low | 195 Ų | 195 | 120.2 Ų | 120.2 | 100% | 1.021 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -72.8 | 42.6 | 173.1 | -85 | 154.2 | 0 | 0 | 0 | 112.4 | ||
| 90 | W | 32.9 | Very low | 35.4 | Very low | 196 Ų | 196 | 119.7 Ų | 119.7 | 74% | 0.742 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -119 | 125.7 | 157.8 | -175.5 | -93.2 | 0 | 0 | 0 | 103.4 | L88 S92 | L88-W90 HydrophobicContact CD2-CB 4.33Å; L88-W90 PolarHBondContact O-N 3.28Å; W90-S92 VanDerWaalsContact C-N 3.32Å; W90-S92 WeakPolarHBondContact O-CB 3.34Å; W90-S92 PolarHBondContact O-N 2.81Å; W90-S92 PolarHBondContact O-OG 3.23Å |
| 91 | D | 30.4 | Very low | 36.9 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | trans | -48.6 | 102.6 | 175.5 | -178.7 | 5.4 | 0 | 0 | 0 | 108.7 | S93 | D91-S93 VanDerWaalsContact C-N 3.3Å; D91-S93 VanDerWaalsContact OD1-CB 3.28Å; D91-S93 WeakPolarHBondContact OD1-CB 3.45Å; D91-S93 PolarHBondContact OD1-N 3.47Å; D91-S93 PolarHBondContact OD1-OG 2.98Å | ||
| 92 | S | 33.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | trans | -102.1 | 20.8 | -171.8 | 19 | 0 | 0 | 0 | 0 | 110 | L88 W90 | L88-S92 PolarHBondContact O-OG 2.93Å; W90-S92 VanDerWaalsContact C-N 3.32Å; W90-S92 WeakPolarHBondContact O-CB 3.34Å; W90-S92 PolarHBondContact O-N 2.81Å; W90-S92 PolarHBondContact O-OG 3.23Å | ||
| 93 | S | 29.2 | Very low | 41.7 | Very low | 68 Ų | 68 | 112.8 Ų | 112.8 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -43.9 | 127.3 | 140.1 | -53.9 | 0 | 0 | 0 | 0 | 105.9 | D91 T95 | D91-S93 VanDerWaalsContact C-N 3.3Å; D91-S93 VanDerWaalsContact OD1-CB 3.28Å; D91-S93 WeakPolarHBondContact OD1-CB 3.45Å; D91-S93 PolarHBondContact OD1-N 3.47Å; D91-S93 PolarHBondContact OD1-OG 2.98Å; S93-T95 PolarHBondContact O-N 3.24Å |
| 94 | P | 33.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 105.3 Ų | 105.3 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | trans | -52.9 | 111 | 162.3 | 23.5 | -28 | 0 | 0 | 0 | 102.4 | T96 | P94-T96 PolarHBondContact O-N 2.9Š| ||
| 95 | T | 35.8 | Very low | 48 | Very low | 99 Ų | 99 | 101 Ų | 101 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | trans | -62.7 | 92.9 | 155 | -50.7 | 0 | 0 | 0 | 0 | 99.9 | S93 M97 | S93-T95 PolarHBondContact O-N 3.24Å; T95-M97 HydrophobicContact CG2-CG 3.95Å; T95-M97 PolarHBondContact O-N 2.86Å | ||
| 96 | T | 39 | Very low | 50.7 | Low | 104 Ų | 104 | 96.3 Ų | 96.3 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | trans | -49.1 | 92.5 | 147.3 | -52 | 0 | 0 | 0 | 0 | 99.9 | P94 G98 | P94-T96 PolarHBondContact O-N 2.9Å; T96-G98 PolarHBondContact O-N 3.33Å | ||
| 97 | M | 39.1 | Very low | 53.6 | Low | 93 Ų | 93 | 89 Ų | 89 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | trans | -68 | 16.9 | 165.7 | -85.6 | -97.9 | -62.6 | 0 | 0 | 107.6 | T95 Q120 G124 | T95-M97 HydrophobicContact CG2-CG 3.95Å; T95-M97 PolarHBondContact O-N 2.86Å; M97-Q120 VanDerWaalsContact C-NE2 3.34Å; M97-Q120 VanDerWaalsContact O-CD 3.23Å; M97-Q120 WeakPolarHBondContact O-CG 3.33Å; M97-Q120 PolarHBondContact O-NE2 3.32Å; M97-Q120 PolarHBondContact SD-NE2 3.48Å; M97-G124 WeakPolarHBondContact O-CA 3.29Å | ||
| 98 | G | 41.9 | Very low | 56.6 | Low | 8 Ų | 8 | 80.2 Ų | 80.2 | 8% | 0.082 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -67.8 | 129.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | T96 | T96-G98 PolarHBondContact O-N 3.33Š|
| 99 | S | 41.4 | Very low | 59.5 | Low | 10 Ų | 10 | 77.3 Ų | 77.3 | 7% | 0.07 | 44% | 0.435 | C | S | . | . | trans | -42 | 132.7 | 161.6 | 68.6 | 0 | 0 | 0 | 0 | 108.3 | E101 G102 R103 H105 | S99-E101 PolarHBondContact O-N 2.91Å; S99-G102 PolarHBondContact O-N 2.85Å; S99-G102 WeakPolarHBondContact OG-CA 3.34Å; S99-G102 PolarHBondContact OG-N 3.36Å; S99-R103 WeakPolarHBondContact CB-O 3.37Å; S99-R103 PolarHBondContact OG-N 2.8Å; S99-R103 PolarHBondContact OG-O 3.13Å; S99-H105 VanDerWaalsContact CB-CD2 3.5Å; S99-H105 WeakPolarHBondContact CB-CD2 3.28Å; S99-H105 WeakPolarHBondContact CB-NE2 3.33Å | ||
| 100 | P | 49.9 | Very low | 62.5 | Low | 131 Ų | 131 | 70.1 Ų | 70.1 | 85% | 0.851 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -4.4 | 175.3 | 16.3 | -26 | 0 | 0 | 0 | 113.6 | ||
| 101 | E | 59.5 | Low | 65.3 | Low | 111 Ų | 111 | 61.4 Ų | 61.4 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 8.7 | -169.2 | -54.7 | -175.9 | 144.2 | 0 | 0 | 114.9 | S99 R103 | S99-E101 PolarHBondContact O-N 2.91Å; E101-R103 VanDerWaalsContact C-N 3.26Å; E101-R103 HydrophobicContact CB-CG 4.48Å; E101-R103 PolarHBondContact O-N 2.93Å; E101-R103 IonicContact OE1-NH2 3.41Å; E101-R103 PolarHBondContact OE1-NH2 3.15Å; E101-R103 IonicContact OE2-CZ 3.11Å; E101-R103 IonicContact OE2-NE 3.12Å; E101-R103 PolarHBondContact OE2-NE 2.98Å; E101-R103 VanDerWaalsContact OE2-NE 3.12Å; E101-R103 IonicContact OE2-NH2 2.6Å; E101-R103 PolarHBondContact OE2-NH2 3.49Å |
| 102 | G | 81.4 | Confident | 68 | Low | 43 Ų | 43 | 58 Ų | 58 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 60.1 | 33.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S99 P122 | S99-G102 PolarHBondContact O-N 2.85Å; S99-G102 WeakPolarHBondContact OG-CA 3.34Å; S99-G102 PolarHBondContact OG-N 3.36Å; G102-P122 WeakPolarHBondContact O-CG 3.33Å |
| 103 | R | 90.6 | Very high | 70.7 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | trans | -126.3 | 160.3 | -175.3 | -73.8 | -166.9 | -78.9 | -179.9 | -8.8 | 111.7 | S99 E101 H169 A171 | S99-R103 WeakPolarHBondContact CB-O 3.37Å; S99-R103 PolarHBondContact OG-N 2.8Å; S99-R103 PolarHBondContact OG-O 3.13Å; E101-R103 VanDerWaalsContact C-N 3.26Å; E101-R103 HydrophobicContact CB-CG 4.48Å; E101-R103 PolarHBondContact O-N 2.93Å; E101-R103 IonicContact OE1-NH2 3.41Å; E101-R103 PolarHBondContact OE1-NH2 3.15Å; E101-R103 IonicContact OE2-CZ 3.11Å; E101-R103 IonicContact OE2-NE 3.12Å; E101-R103 PolarHBondContact OE2-NE 2.98Å; E101-R103 VanDerWaalsContact OE2-NE 3.12Å; E101-R103 IonicContact OE2-NH2 2.6Å; E101-R103 PolarHBondContact OE2-NH2 3.49Å; R103-H169 CarbonylContact C-O 3.49Å; R103-H169 VanDerWaalsContact CA-O 3.24Å; R103-H169 WeakPolarHBondContact CA-O 3.49Å; R103-H169 VanDerWaalsContact CB-O 3.25Å; R103-H169 WeakPolarHBondContact CB-O 3.24Å; R103-A171 HydrophobicContact CB-CB 3.69Å | ||
| 104 | F | 94.8 | Very high | 73.8 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 141.5 | 179.1 | -69.5 | -91.7 | 0 | 0 | 0 | 112.5 | F106 Q120 C121 P122 I150 L151 E154 H169 I170 A171 S172 | F104-F106 HydrophobicContact CB-CD2 4.12Å; F104-F106 HydrophobicContact CB-CE2 3.42Å; F104-F106 VanDerWaalsContact CB-CE2 3.42Å; F104-F106 HydrophobicContact CB-CZ 3.95Å; F104-F106 HydrophobicContact CD1-CE2 4.33Å; F104-F106 AromaticContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CG-CE2 4.06Å; F104-F106 HydrophobicContact CG-CZ 4.14Å; F104-Q120 WeakPolarHBondContact CA-O 3.36Å; F104-C121 HydrophobicContact CD1-CB 4.32Å; F104-C121 HydrophobicContact CE1-CB 3.94Å; F104-P122 HydrophobicContact CD2-CG 3.89Å; F104-P122 VanDerWaalsContact CE1-CD 3.44Å; F104-P122 HydrophobicContact CE1-CG 4.44Å; F104-P122 HydrophobicContact CE2-CG 3.65Å; F104-P122 HydrophobicContact CG-CG 4.36Å; F104-P122 HydrophobicContact CZ-CG 3.95Å; F104-I150 HydrophobicContact CD1-CG2 4.45Å; F104-I150 HydrophobicContact CE1-CG2 4.15Å; F104-L151 HydrophobicContact CD1-CD2 4.34Å; F104-L151 HydrophobicContact CD2-CD2 3.66Å; F104-L151 HydrophobicContact CE1-CD2 4.19Å; F104-L151 HydrophobicContact CE2-CD2 3.51Å; F104-L151 HydrophobicContact CG-CD2 4.1Å; F104-L151 HydrophobicContact CZ-CD2 3.79Å; F104-E154 HydrophobicContact CE1-CB 4.17Å; F104-E154 HydrophobicContact CE1-CG 3.73Å; F104-E154 HydrophobicContact CZ-CB 3.72Å; F104-E154 HydrophobicContact CZ-CG 3.81Å; F104-H169 HydrophobicContact CD2-CB 4.28Å; F104-H169 WeakPolarHBondContact CD2-O 3.4Å; F104-H169 PolarHBondContact N-O 2.89Å; F104-I170 HydrophobicContact CB-CG1 4.5Å; F104-A171 PolarHBondContact O-N 2.82Å; F104-S172 PolarHBondContact O-N 3.21Å |
| 105 | H | 96.1 | Very high | 76.8 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 120.2 | 165.5 | -58.6 | -90 | 0 | 0 | 0 | 110.1 | S99 A119 Q120 A171 S172 | S99-H105 VanDerWaalsContact CB-CD2 3.5Å; S99-H105 WeakPolarHBondContact CB-CD2 3.28Å; S99-H105 WeakPolarHBondContact CB-NE2 3.33Å; H105-A119 WeakPolarHBondContact O-CA 3.38Å; H105-Q120 HydrophobicContact CB-CB 4.27Å; H105-Q120 PolarHBondContact N-O 2.93Å; H105-Q120 PolarHBondContact O-N 3.4Å; H105-A171 WeakPolarHBondContact CE1-CB 3.48Å; H105-S172 PolarHBondContact ND1-OG 2.89Å |
| 106 | F | 97.5 | Very high | 79.7 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.4 | 178.8 | -65.3 | -86.2 | 0 | 0 | 0 | 111.6 | F104 I108 V117 F118 A119 I147 I150 L151 I170 S172 I173 R174 | F104-F106 HydrophobicContact CB-CD2 4.12Å; F104-F106 HydrophobicContact CB-CE2 3.42Å; F104-F106 VanDerWaalsContact CB-CE2 3.42Å; F104-F106 HydrophobicContact CB-CZ 3.95Å; F104-F106 HydrophobicContact CD1-CE2 4.33Å; F104-F106 AromaticContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CG-CE2 4.06Å; F104-F106 HydrophobicContact CG-CZ 4.14Å; F106-I108 HydrophobicContact CB-CG1 4.42Å; F106-V117 HydrophobicContact CD1-CG1 4.3Å; F106-F118 CarbonylContact C-O 3.59Å; F106-F118 WeakPolarHBondContact CA-O 3.32Å; F106-A119 HydrophobicContact CD1-CB 3.57Å; F106-A119 HydrophobicContact CE1-CB 3.46Å; F106-A119 VanDerWaalsContact CE1-CB 3.46Å; F106-A119 HydrophobicContact CG-CB 4.48Å; F106-A119 HydrophobicContact CZ-CB 4.3Å; F106-I147 HydrophobicContact CD1-CG1 3.94Å; F106-I147 HydrophobicContact CD2-CG1 4.37Å; F106-I147 HydrophobicContact CE1-CB 4.31Å; F106-I147 HydrophobicContact CE1-CG1 4.06Å; F106-I147 HydrophobicContact CE1-CG2 4.24Å; F106-I147 HydrophobicContact CE2-CG1 4.48Å; F106-I147 HydrophobicContact CE2-CG2 3.95Å; F106-I147 HydrophobicContact CG-CG1 4.11Å; F106-I147 HydrophobicContact CZ-CB 4.35Å; F106-I147 HydrophobicContact CZ-CG1 4.34Å; F106-I147 HydrophobicContact CZ-CG2 3.77Å; F106-I150 HydrophobicContact CE1-CB 4.14Å; F106-I150 HydrophobicContact CE1-CD1 4.04Å; F106-I150 HydrophobicContact CE1-CG2 4.02Å; F106-I150 HydrophobicContact CZ-CG2 4.31Å; F106-L151 HydrophobicContact CZ-CD2 4.44Å; F106-I170 HydrophobicContact CD2-CG2 3.81Å; F106-I170 HydrophobicContact CE2-CD1 3.98Å; F106-I170 HydrophobicContact CE2-CG1 4.04Å; F106-I170 HydrophobicContact CE2-CG2 3.99Å; F106-S172 PolarHBondContact N-O 2.72Å; F106-I173 HydrophobicContact CB-CG1 4.32Å; F106-I173 HydrophobicContact CB-CG2 4.37Å; F106-I173 HydrophobicContact CD2-CG1 4.23Å; F106-R174 PolarHBondContact O-N 3.5Å |
| 107 | A | 97.9 | Very high | 82.5 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | F118 R174 | A107-F118 HydrophobicContact CB-CB 4.34Å; A107-F118 HydrophobicContact CB-CD1 4.24Å; A107-F118 PolarHBondContact N-O 3.16Å; A107-F118 PolarHBondContact O-N 2.87Å; A107-R174 CarbonylContact C-O 3.58Å; A107-R174 WeakPolarHBondContact CA-O 3.46Å |
| 108 | I | 97.9 | Very high | 85.3 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.1 | -172.6 | -57 | 178.1 | 0 | 0 | 0 | 108.6 | F106 T115 D116 V117 P143 I147 I173 R174 M175 G176 | F106-I108 HydrophobicContact CB-CG1 4.42Å; I108-T115 HydrophobicContact CG2-CG2 3.64Å; I108-D116 CarbonylContact C-O 3.53Å; I108-D116 WeakPolarHBondContact CA-O 3.18Å; I108-V117 HydrophobicContact CG1-CG1 4.23Å; I108-V117 HydrophobicContact CG1-CG2 4.38Å; I108-V117 HydrophobicContact CG2-CG2 4.24Å; I108-P143 HydrophobicContact CD1-CB 4.05Å; I108-P143 HydrophobicContact CG2-CB 4.11Å; I108-P143 HydrophobicContact CG2-CG 4.15Å; I108-I147 HydrophobicContact CD1-CD1 3.9Å; I108-I147 HydrophobicContact CD1-CG1 3.93Å; I108-I173 HydrophobicContact CD1-CG2 4.19Å; I108-R174 PolarHBondContact N-O 3.28Å; I108-M175 HydrophobicContact CB-CG 4.36Å; I108-M175 HydrophobicContact CD1-CE 4.34Å; I108-M175 HydrophobicContact CG2-CE 4.49Å; I108-M175 HydrophobicContact CG2-CG 4.47Å; I108-M175 CarbonylContact O-C 3.55Å; I108-M175 WeakPolarHBondContact O-CA 3.46Å; I108-G176 PolarHBondContact O-N 2.91Å |
| 109 | D | 95.8 | Very high | 87.9 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 40% | 0.401 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 104.5 | 170.3 | -177.6 | 15.7 | 0 | 0 | 0 | 109.5 | G111 T115 D116 G176 | D109-G111 PolarHBondContact O-N 3.33Å; D109-T115 WeakPolarHBondContact O-CA 3.36Å; D109-D116 PolarHBondContact N-O 2.92Å; D109-D116 PolarHBondContact O-N 2.88Å; D109-G176 WeakPolarHBondContact CA-O 3.27Å |
| 110 | R | 94.6 | Very high | 90.5 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 99.3 | 175.5 | -177 | 179.8 | 173.4 | 98.1 | 15.9 | 109.6 | T115 S133 D141 G176 T177 T178 | R110-T115 HydrophobicContact CB-CG2 4.42Å; R110-S133 PolarHBondContact NH1-O 3.04Å; R110-S133 PolarHBondContact NH2-O 3.45Å; R110-D141 IonicContact NH1-OD1 2.91Å; R110-D141 PolarHBondContact NH1-OD1 3.39Å; R110-G176 PolarHBondContact N-O 3.41Å; R110-T177 WeakPolarHBondContact O-CA 3.3Å; R110-T177 PolarHBondContact O-OG1 3Å; R110-T178 PolarHBondContact O-N 2.95Å; R110-T178 PolarHBondContact O-OG1 3.1Å |
| 111 | G | 90.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | trans | -78.5 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D109 F114 S133 T178 | D109-G111 PolarHBondContact O-N 3.33Å; G111-F114 WeakPolarHBondContact CA-O 3.45Å; G111-F114 PolarHBondContact N-O 3.4Å; G111-S133 WeakPolarHBondContact O-CB 3.33Å; G111-S133 PolarHBondContact O-OG 3.42Å; G111-T178 WeakPolarHBondContact CA-OG1 3.37Å | ||
| 112 | G | 87.3 | Confident | 94 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 49% | 0.485 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -66.7 | -47.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 113 | T | 89.8 | Confident | 94 | Very high | 95 Ų | 95 | 38.7 Ų | 38.7 | 58% | 0.583 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -97.7 | -39.3 | -179.2 | -48 | 0 | 0 | 0 | 0 | 113.1 | S133 | T113-S133 PolarHBondContact O-N 3.02Š|
| 114 | F | 95.1 | Very high | 93.6 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.9 | -174.7 | -61.9 | -76.8 | 0 | 0 | 0 | 111.5 | G111 K130 L131 L132 S133 | G111-F114 WeakPolarHBondContact CA-O 3.45Å; G111-F114 PolarHBondContact N-O 3.4Å; F114-K130 HydrophobicContact CB-CD 4.44Å; F114-K130 HydrophobicContact CB-CG 4.1Å; F114-K130 HydrophobicContact CD1-CD 4.3Å; F114-K130 HydrophobicContact CD1-CG 4.12Å; F114-K130 HydrophobicContact CG-CD 4.32Å; F114-K130 HydrophobicContact CG-CG 4.29Å; F114-L131 CarbonylContact C-O 3.56Å; F114-L131 WeakPolarHBondContact CA-O 3.47Å; F114-L132 HydrophobicContact CD1-CD2 4.08Å; F114-L132 HydrophobicContact CE1-CD2 3.64Å; F114-L132 HydrophobicContact CZ-CD2 4.37Å; F114-S133 WeakPolarHBondContact CA-OG 3.33Å; F114-S133 PolarHBondContact N-OG 3.48Å; F114-S133 PolarHBondContact O-OG 3.09Å; F114-S133 VanDerWaalsContact O-OG 3.05Å |
| 115 | T | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.3 | 168.7 | -61.7 | 0 | 0 | 0 | 0 | 108.3 | I108 D109 R110 V117 K130 L131 S133 A142 P143 | I108-T115 HydrophobicContact CG2-CG2 3.64Å; D109-T115 WeakPolarHBondContact O-CA 3.36Å; R110-T115 HydrophobicContact CB-CG2 4.42Å; T115-V117 HydrophobicContact CG2-CG2 4.08Å; T115-K130 WeakPolarHBondContact O-CA 3.15Å; T115-L131 PolarHBondContact N-O 3.05Å; T115-L131 PolarHBondContact O-N 3.07Å; T115-S133 PolarHBondContact N-OG 3.25Å; T115-S133 PolarHBondContact OG1-OG 2.69Å; T115-S133 VanDerWaalsContact OG1-OG 3.07Å; T115-A142 HydrophobicContact CG2-CB 4.27Å; T115-A142 WeakPolarHBondContact OG1-CB 3.35Å; T115-P143 HydrophobicContact CG2-CG 4.25Å |
| 116 | D | 97.2 | Very high | 93.2 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.4 | 175.9 | -71.1 | -60.8 | 0 | 0 | 0 | 108.9 | I108 D109 K130 | I108-D116 CarbonylContact C-O 3.53Å; I108-D116 WeakPolarHBondContact CA-O 3.18Å; D109-D116 PolarHBondContact N-O 2.92Å; D109-D116 PolarHBondContact O-N 2.88Å; D116-K130 WeakPolarHBondContact OD1-CG 3.47Å; D116-K130 IonicContact OD1-NZ 3.24Å; D116-K130 PolarHBondContact OD1-NZ 2.93Å; D116-K130 IonicContact OD2-NZ 2.82Å; D116-K130 PolarHBondContact OD2-NZ 3.43Å |
| 117 | V | 97.8 | Very high | 93 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.2 | -175.8 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | F106 I108 T115 V128 L129 I150 | F106-V117 HydrophobicContact CD1-CG1 4.3Å; I108-V117 HydrophobicContact CG1-CG1 4.23Å; I108-V117 HydrophobicContact CG1-CG2 4.38Å; I108-V117 HydrophobicContact CG2-CG2 4.24Å; T115-V117 HydrophobicContact CG2-CG2 4.08Å; V117-V128 CarbonylContact O-C 3.49Å; V117-V128 VanDerWaalsContact O-CA 3.28Å; V117-V128 WeakPolarHBondContact O-CA 3.42Å; V117-L129 HydrophobicContact CB-CB 4.28Å; V117-L129 PolarHBondContact N-O 3.34Å; V117-L129 PolarHBondContact O-N 3.47Å; V117-I150 HydrophobicContact CG1-CD1 3.71Å |
| 118 | F | 98 | Very high | 93 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 37% | 0.368 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.8 | 171 | 173.3 | -84.9 | 0 | 0 | 0 | 108.6 | F106 A107 Q120 V126 V128 | F106-F118 CarbonylContact C-O 3.59Å; F106-F118 WeakPolarHBondContact CA-O 3.32Å; A107-F118 HydrophobicContact CB-CB 4.34Å; A107-F118 HydrophobicContact CB-CD1 4.24Å; A107-F118 PolarHBondContact N-O 3.16Å; A107-F118 PolarHBondContact O-N 2.87Å; F118-Q120 HydrophobicContact CE1-CB 4.31Å; F118-V126 HydrophobicContact CD2-CG1 3.86Å; F118-V126 HydrophobicContact CE2-CB 4.46Å; F118-V126 HydrophobicContact CE2-CG1 3.37Å; F118-V126 HydrophobicContact CE2-CG2 4.2Å; F118-V126 HydrophobicContact CZ-CG1 3.92Å; F118-V126 HydrophobicContact CZ-CG2 4.02Å; F118-V128 HydrophobicContact CD2-CG2 4.18Å |
| 119 | A | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H105 F106 V126 R127 I150 | H105-A119 WeakPolarHBondContact O-CA 3.38Å; F106-A119 HydrophobicContact CD1-CB 3.57Å; F106-A119 HydrophobicContact CE1-CB 3.46Å; F106-A119 VanDerWaalsContact CE1-CB 3.46Å; F106-A119 HydrophobicContact CG-CB 4.48Å; F106-A119 HydrophobicContact CZ-CB 4.3Å; A119-V126 CarbonylContact O-C 3.55Å; A119-V126 WeakPolarHBondContact O-CA 3.39Å; A119-R127 HydrophobicContact CB-CB 4.41Å; A119-R127 PolarHBondContact N-O 3.08Å; A119-R127 PolarHBondContact O-N 3.2Å; A119-I150 HydrophobicContact CB-CD1 3.62Å; A119-I150 HydrophobicContact CB-CG2 3.89Å |
| 120 | Q | 95.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 117.9 | 161.3 | -176.3 | 175.6 | 38 | 0 | 0 | 107.5 | M97 F104 H105 F118 | M97-Q120 VanDerWaalsContact C-NE2 3.34Å; M97-Q120 VanDerWaalsContact O-CD 3.23Å; M97-Q120 WeakPolarHBondContact O-CG 3.33Å; M97-Q120 PolarHBondContact O-NE2 3.32Å; M97-Q120 PolarHBondContact SD-NE2 3.48Å; F104-Q120 WeakPolarHBondContact CA-O 3.36Å; H105-Q120 HydrophobicContact CB-CB 4.27Å; H105-Q120 PolarHBondContact N-O 2.93Å; H105-Q120 PolarHBondContact O-N 3.4Å; F118-Q120 HydrophobicContact CE1-CB 4.31Å |
| 121 | C | 93.1 | Very high | 93 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 161.1 | -174.1 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | F104 G123 G124 H125 E154 | F104-C121 HydrophobicContact CD1-CB 4.32Å; F104-C121 HydrophobicContact CE1-CB 3.94Å; C121-G123 PolarHBondContact O-N 2.67Å; C121-G124 WeakPolarHBondContact O-CA 3.11Å; C121-G124 PolarHBondContact O-N 3.04Å; C121-H125 VanDerWaalsContact CB-NE2 3.3Å; C121-H125 WeakPolarHBondContact CB-NE2 3.47Å; C121-H125 WeakPolarHBondContact CB-O 3.31Å; C121-H125 PolarHBondContact N-O 3.46Å; C121-E154 HydrophobicContact CB-CG 4.48Å |
| 122 | P | 88.9 | Confident | 93.3 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 131.4 | 163.7 | -23.4 | 33.8 | 0 | 0 | 0 | 110.1 | G102 F104 G124 H125 | G102-P122 WeakPolarHBondContact O-CG 3.33Å; F104-P122 HydrophobicContact CD2-CG 3.89Å; F104-P122 VanDerWaalsContact CE1-CD 3.44Å; F104-P122 HydrophobicContact CE1-CG 4.44Å; F104-P122 HydrophobicContact CE2-CG 3.65Å; F104-P122 HydrophobicContact CG-CG 4.36Å; F104-P122 HydrophobicContact CZ-CG 3.95Å; P122-G124 VanDerWaalsContact C-N 3.32Å; P122-H125 PolarHBondContact O-CE1 2.94Å; P122-H125 VanDerWaalsContact O-CE1 3.22Å |
| 123 | G | 83.3 | Confident | 93.6 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 74% | 0.742 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -11.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | C121 | C121-G123 PolarHBondContact O-N 2.67Š|
| 124 | G | 81.4 | Confident | 93.8 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 91.4 | 3.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | M97 C121 P122 | M97-G124 WeakPolarHBondContact O-CA 3.29Å; C121-G124 WeakPolarHBondContact O-CA 3.11Å; C121-G124 PolarHBondContact O-N 3.04Å; P122-G124 VanDerWaalsContact C-N 3.32Å |
| 125 | H | 87.6 | Confident | 93.8 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | trans | -73.4 | 163.8 | 164.2 | 60.6 | -77.3 | 0 | 0 | 0 | 111.3 | C121 P122 E154 | C121-H125 VanDerWaalsContact CB-NE2 3.3Å; C121-H125 WeakPolarHBondContact CB-NE2 3.47Å; C121-H125 WeakPolarHBondContact CB-O 3.31Å; C121-H125 PolarHBondContact N-O 3.46Å; P122-H125 PolarHBondContact O-CE1 2.94Å; P122-H125 VanDerWaalsContact O-CE1 3.22Å; H125-E154 IonicContact CD2-OE1 2.68Å; H125-E154 IonicContact CD2-OE2 3.21Å; H125-E154 IonicContact CE1-OE2 2.94Å; H125-E154 PolarHBondContact CE1-OE2 2.54Å; H125-E154 VanDerWaalsContact NE2-CD 3.27Å; H125-E154 IonicContact NE2-OE1 3.31Å; H125-E154 PolarHBondContact NE2-OE1 2.85Å; H125-E154 IonicContact NE2-OE2 3.24Å; H125-E154 PolarHBondContact NE2-OE2 3.5Å | ||
| 126 | V | 94.6 | Very high | 93.7 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.5 | -174.3 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F118 A119 V128 | F118-V126 HydrophobicContact CD2-CG1 3.86Å; F118-V126 HydrophobicContact CE2-CB 4.46Å; F118-V126 HydrophobicContact CE2-CG1 3.37Å; F118-V126 HydrophobicContact CE2-CG2 4.2Å; F118-V126 HydrophobicContact CZ-CG1 3.92Å; F118-V126 HydrophobicContact CZ-CG2 4.02Å; A119-V126 CarbonylContact O-C 3.55Å; A119-V126 WeakPolarHBondContact O-CA 3.39Å; V126-V128 HydrophobicContact CG1-CG2 4.01Å |
| 127 | R | 94.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.6 | 166.4 | -65.4 | -68.6 | -179 | -105 | -4.7 | 109.7 | A119 I150 E154 | A119-R127 HydrophobicContact CB-CB 4.41Å; A119-R127 PolarHBondContact N-O 3.08Å; A119-R127 PolarHBondContact O-N 3.2Å; R127-I150 HydrophobicContact CB-CD1 3.99Å; R127-I150 HydrophobicContact CB-CG1 4.07Å; R127-I150 HydrophobicContact CB-CG2 4.12Å; R127-I150 HydrophobicContact CG-CG2 4.22Å; R127-E154 IonicContact CZ-OE1 2.72Å; R127-E154 IonicContact NE-OE1 2.74Å; R127-E154 PolarHBondContact NE-OE1 2.94Å; R127-E154 IonicContact NH2-OE1 3.15Å; R127-E154 PolarHBondContact NH2-OE1 2.82Å; R127-E154 IonicContact NH2-OE2 3.99Å |
| 128 | V | 96.1 | Very high | 93.2 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.9 | 175.6 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | V117 F118 V126 | V117-V128 CarbonylContact O-C 3.49Å; V117-V128 VanDerWaalsContact O-CA 3.28Å; V117-V128 WeakPolarHBondContact O-CA 3.42Å; F118-V128 HydrophobicContact CD2-CG2 4.18Å; V126-V128 HydrophobicContact CG1-CG2 4.01Å |
| 129 | L | 95.6 | Very high | 93 | Very high | 32 Ų | 32 | 57.4 Ų | 57.4 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.4 | 175.4 | -64.2 | -179.7 | 0 | 0 | 0 | 110.5 | V117 R149 I150 | V117-L129 HydrophobicContact CB-CB 4.28Å; V117-L129 PolarHBondContact N-O 3.34Å; V117-L129 PolarHBondContact O-N 3.47Å; L129-R149 HydrophobicContact CD1-CB 3.66Å; L129-I150 HydrophobicContact CD1-CD1 3.99Å; L129-I150 HydrophobicContact CD1-CG1 3.52Å; L129-I150 HydrophobicContact CG-CD1 4.14Å; L129-I150 HydrophobicContact CG-CG1 4Å |
| 130 | K | 96.3 | Very high | 92.7 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.4 | 169.9 | -167.7 | 176.5 | -160.5 | 79.9 | 0 | 108.4 | F114 T115 D116 | F114-K130 HydrophobicContact CB-CD 4.44Å; F114-K130 HydrophobicContact CB-CG 4.1Å; F114-K130 HydrophobicContact CD1-CD 4.3Å; F114-K130 HydrophobicContact CD1-CG 4.12Å; F114-K130 HydrophobicContact CG-CD 4.32Å; F114-K130 HydrophobicContact CG-CG 4.29Å; T115-K130 WeakPolarHBondContact O-CA 3.15Å; D116-K130 WeakPolarHBondContact OD1-CG 3.47Å; D116-K130 IonicContact OD1-NZ 3.24Å; D116-K130 PolarHBondContact OD1-NZ 2.93Å; D116-K130 IonicContact OD2-NZ 2.82Å; D116-K130 PolarHBondContact OD2-NZ 3.43Å |
| 131 | L | 97.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.1 | 179.9 | -63.6 | 179 | 0 | 0 | 0 | 109.8 | F114 T115 S133 A142 E145 R149 | F114-L131 CarbonylContact C-O 3.56Å; F114-L131 WeakPolarHBondContact CA-O 3.47Å; T115-L131 PolarHBondContact N-O 3.05Å; T115-L131 PolarHBondContact O-N 3.07Å; L131-S133 PolarHBondContact O-N 3.32Å; L131-A142 HydrophobicContact CB-CB 4.36Å; L131-A142 VanDerWaalsContact CD1-O 3.29Å; L131-A142 WeakPolarHBondContact CD1-O 3.26Å; L131-E145 HydrophobicContact CD1-CB 4.07Å; L131-E145 HydrophobicContact CD1-CG 3.92Å; L131-R149 VanDerWaalsContact CD2-CZ 3.47Å |
| 132 | L | 97.3 | Very high | 92.7 | Very high | 76 Ų | 76 | 63.9 Ų | 63.9 | 40% | 0.398 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 133.1 | 162.9 | -68.8 | 170.7 | 0 | 0 | 0 | 108 | F114 E134 D135 Y139 A142 | F114-L132 HydrophobicContact CD1-CD2 4.08Å; F114-L132 HydrophobicContact CE1-CD2 3.64Å; F114-L132 HydrophobicContact CZ-CD2 4.37Å; L132-E134 PolarHBondContact O-N 3.29Å; L132-D135 HydrophobicContact CB-CB 4.14Å; L132-D135 HydrophobicContact CD1-CB 4.33Å; L132-Y139 PolarHBondContact N-OH 3.43Å; L132-Y139 VanDerWaalsContact N-OH 3.17Å; L132-Y139 WeakPolarHBondContact O-CE2 3.38Å; L132-Y139 PolarHBondContact O-OH 3.45Å; L132-A142 WeakPolarHBondContact O-CB 3.36Å |
| 133 | S | 93.9 | Very high | 93 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.028 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -64.2 | -28.6 | 178.1 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | R110 G111 T113 F114 T115 L131 | R110-S133 PolarHBondContact NH1-O 3.04Å; R110-S133 PolarHBondContact NH2-O 3.45Å; G111-S133 WeakPolarHBondContact O-CB 3.33Å; G111-S133 PolarHBondContact O-OG 3.42Å; T113-S133 PolarHBondContact O-N 3.02Å; F114-S133 WeakPolarHBondContact CA-OG 3.33Å; F114-S133 PolarHBondContact N-OG 3.48Å; F114-S133 PolarHBondContact O-OG 3.09Å; F114-S133 VanDerWaalsContact O-OG 3.05Å; T115-S133 PolarHBondContact N-OG 3.25Å; T115-S133 PolarHBondContact OG1-OG 2.69Å; T115-S133 VanDerWaalsContact OG1-OG 3.07Å; L131-S133 PolarHBondContact O-N 3.32Å |
| 134 | E | 93.5 | Very high | 93.6 | Very high | 152 Ų | 152 | 61.8 Ų | 61.8 | 71% | 0.71 | 36% | 0.357 | S | S | * | . | trans | -131.7 | 116.6 | 175.6 | -68.8 | -179.2 | -164.2 | 0 | 0 | 109.4 | L132 | L132-E134 PolarHBondContact O-N 3.29Š| ||
| 135 | D | 95.4 | Very high | 94.3 | Very high | 36 Ų | 36 | 61.1 Ų | 61.1 | 19% | 0.193 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -153.1 | 68.6 | 174.6 | -174.8 | 4.1 | 0 | 0 | 0 | 110 | L132 A137 N138 Y139 | L132-D135 HydrophobicContact CB-CB 4.14Å; L132-D135 HydrophobicContact CD1-CB 4.33Å; D135-A137 PolarHBondContact O-N 3.21Å; D135-N138 PolarHBondContact O-N 3.09Å; D135-N138 PolarHBondContact OD1-ND2 3.49Å; D135-N138 WeakPolarHBondContact OD2-CB 3.4Å; D135-N138 PolarHBondContact OD2-ND2 3.37Å; D135-Y139 CarbonylContact C-O 3.58Å; D135-Y139 HydrophobicContact CB-CE1 3.97Å; D135-Y139 HydrophobicContact CB-CE2 3.91Å; D135-Y139 PolarHBondContact O-N 3.33Å |
| 136 | P | 93 | Very high | 94.7 | Very high | 120 Ų | 120 | 57.8 Ų | 57.8 | 78% | 0.779 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.1 | -171.6 | 25.4 | -34.4 | 0 | 0 | 0 | 113.6 | N138 | P136-N138 VanDerWaalsContact C-N 3.27Š|
| 137 | A | 92.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 76% | 0.76 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -24.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D135 | D135-A137 PolarHBondContact O-N 3.21Š|
| 138 | N | 91.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -38 | -174.4 | -67.4 | -74.8 | 0 | 0 | 0 | 112.7 | D135 P136 R161 | D135-N138 PolarHBondContact O-N 3.09Å; D135-N138 PolarHBondContact OD1-ND2 3.49Å; D135-N138 WeakPolarHBondContact OD2-CB 3.4Å; D135-N138 PolarHBondContact OD2-ND2 3.37Å; P136-N138 VanDerWaalsContact C-N 3.27Å; N138-R161 VanDerWaalsContact O-CZ 3.3Å; N138-R161 PolarHBondContact O-NH1 3.4Å |
| 139 | Y | 93.7 | Very high | 94.9 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -156.8 | 149.9 | -178.4 | 45.8 | -94.4 | 0 | 0 | 0 | 111.4 | L132 D135 A142 E145 | L132-Y139 PolarHBondContact N-OH 3.43Å; L132-Y139 VanDerWaalsContact N-OH 3.17Å; L132-Y139 WeakPolarHBondContact O-CE2 3.38Å; L132-Y139 PolarHBondContact O-OH 3.45Å; D135-Y139 CarbonylContact C-O 3.58Å; D135-Y139 HydrophobicContact CB-CE1 3.97Å; D135-Y139 HydrophobicContact CB-CE2 3.91Å; D135-Y139 PolarHBondContact O-N 3.33Å; Y139-A142 HydrophobicContact CE2-CB 3.87Å; Y139-E145 HydrophobicContact CD1-CB 4.25Å; Y139-E145 HydrophobicContact CD1-CG 3.62Å; Y139-E145 HydrophobicContact CD2-CB 4.03Å; Y139-E145 HydrophobicContact CD2-CG 4.28Å; Y139-E145 HydrophobicContact CE1-CG 4.16Å; Y139-E145 HydrophobicContact CG-CB 3.79Å; Y139-E145 HydrophobicContact CG-CG 3.68Å |
| 140 | A | 91.1 | Very high | 94.9 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 93% | 0.926 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -74.3 | -36.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 141 | D | 93.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | trans | -142.5 | 127.4 | -175 | 177.4 | 62.4 | 0 | 0 | 0 | 111.7 | R110 P143 T144 E145 | R110-D141 IonicContact NH1-OD1 2.91Å; R110-D141 PolarHBondContact NH1-OD1 3.39Å; D141-P143 WeakPolarHBondContact OD1-CD 3.37Å; D141-P143 WeakPolarHBondContact OD2-CB 3.3Å; D141-P143 WeakPolarHBondContact OD2-CD 3.22Å; D141-T144 WeakPolarHBondContact OD2-CB 3.35Å; D141-T144 PolarHBondContact OD2-N 2.72Å; D141-T144 PolarHBondContact OD2-OG1 3.35Å; D141-E145 WeakPolarHBondContact O-CB 3.44Å; D141-E145 PolarHBondContact O-N 3.19Å | ||
| 142 | A | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.1 | -46.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T115 L131 L132 Y139 T144 E145 G146 | T115-A142 HydrophobicContact CG2-CB 4.27Å; T115-A142 WeakPolarHBondContact OG1-CB 3.35Å; L131-A142 HydrophobicContact CB-CB 4.36Å; L131-A142 VanDerWaalsContact CD1-O 3.29Å; L131-A142 WeakPolarHBondContact CD1-O 3.26Å; L132-A142 WeakPolarHBondContact O-CB 3.36Å; Y139-A142 HydrophobicContact CE2-CB 3.87Å; A142-T144 PolarHBondContact O-N 2.74Å; A142-E145 PolarHBondContact O-N 2.84Å; A142-G146 PolarHBondContact O-N 3.41Å |
| 143 | P | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.3 | -50.8 | 170.2 | -29.8 | 31.9 | 0 | 0 | 0 | 114.1 | I108 T115 D141 E145 G146 I147 M175 | I108-P143 HydrophobicContact CD1-CB 4.05Å; I108-P143 HydrophobicContact CG2-CB 4.11Å; I108-P143 HydrophobicContact CG2-CG 4.15Å; T115-P143 HydrophobicContact CG2-CG 4.25Å; D141-P143 WeakPolarHBondContact OD1-CD 3.37Å; D141-P143 WeakPolarHBondContact OD2-CB 3.3Å; D141-P143 WeakPolarHBondContact OD2-CD 3.22Å; P143-E145 PolarHBondContact O-N 2.68Å; P143-G146 PolarHBondContact O-N 2.8Å; P143-I147 WeakPolarHBondContact O-CG1 3.18Å; P143-I147 PolarHBondContact O-N 2.98Å; P143-M175 HydrophobicContact CB-CE 3.4Å; P143-M175 HydrophobicContact CG-CE 3.68Å; P143-M175 HydrophobicContact CG-SD 4.23Å |
| 144 | T | 95.5 | Very high | 94.2 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | -179.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | D141 A142 G146 I147 R148 L165 | D141-T144 WeakPolarHBondContact OD2-CB 3.35Å; D141-T144 PolarHBondContact OD2-N 2.72Å; D141-T144 PolarHBondContact OD2-OG1 3.35Å; A142-T144 PolarHBondContact O-N 2.74Å; T144-G146 VanDerWaalsContact C-N 3.32Å; T144-G146 PolarHBondContact O-N 3.31Å; T144-I147 PolarHBondContact O-N 3.27Å; T144-R148 WeakPolarHBondContact O-CB 3.3Å; T144-R148 PolarHBondContact O-N 3.39Å; T144-L165 HydrophobicContact CG2-CD1 3.96Å |
| 145 | E | 96.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 174.8 | 177 | 69.2 | 179.7 | 0 | 0 | 112.3 | L131 Y139 D141 A142 P143 R148 R149 R161 | L131-E145 HydrophobicContact CD1-CB 4.07Å; L131-E145 HydrophobicContact CD1-CG 3.92Å; Y139-E145 HydrophobicContact CD1-CB 4.25Å; Y139-E145 HydrophobicContact CD1-CG 3.62Å; Y139-E145 HydrophobicContact CD2-CB 4.03Å; Y139-E145 HydrophobicContact CD2-CG 4.28Å; Y139-E145 HydrophobicContact CE1-CG 4.16Å; Y139-E145 HydrophobicContact CG-CB 3.79Å; Y139-E145 HydrophobicContact CG-CG 3.68Å; D141-E145 WeakPolarHBondContact O-CB 3.44Å; D141-E145 PolarHBondContact O-N 3.19Å; A142-E145 PolarHBondContact O-N 2.84Å; P143-E145 PolarHBondContact O-N 2.68Å; E145-R148 WeakPolarHBondContact O-CB 3.49Å; E145-R148 PolarHBondContact O-N 3.28Å; E145-R149 HydrophobicContact CG-CG 4.48Å; E145-R149 WeakPolarHBondContact O-CG 3.46Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.52Å; E145-R149 VanDerWaalsContact OE1-CZ 3.3Å; E145-R149 IonicContact OE1-NE 2.93Å; E145-R149 PolarHBondContact OE1-NE 3.06Å; E145-R149 IonicContact OE1-NH2 2.67Å; E145-R149 PolarHBondContact OE1-NH2 2.82Å; E145-R161 IonicContact OE1-CZ 2.68Å; E145-R161 IonicContact OE1-NE 3.5Å; E145-R161 IonicContact OE1-NH2 3.34Å; E145-R161 PolarHBondContact OE1-NH2 3.5Å; E145-R161 IonicContact OE2-CZ 3.85Å; E145-R161 IonicContact OE2-NE 3.97Å; E145-R161 PolarHBondContact OE2-NE 2.72Å; E145-R161 IonicContact OE2-NH2 3.87Å |
| 146 | G | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A142 P143 T144 R148 I150 | A142-G146 PolarHBondContact O-N 3.41Å; P143-G146 PolarHBondContact O-N 2.8Å; T144-G146 VanDerWaalsContact C-N 3.32Å; T144-G146 PolarHBondContact O-N 3.31Å; G146-R148 VanDerWaalsContact C-N 3.35Å; G146-I150 WeakPolarHBondContact O-CG1 3.27Å; G146-I150 PolarHBondContact O-N 2.93Å |
| 147 | I | 96.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -48 | 172.9 | -64.8 | 169.8 | 0 | 0 | 0 | 109.6 | F106 I108 P143 T144 R149 I150 L151 L165 I170 I173 | F106-I147 HydrophobicContact CD1-CG1 3.94Å; F106-I147 HydrophobicContact CD2-CG1 4.37Å; F106-I147 HydrophobicContact CE1-CB 4.31Å; F106-I147 HydrophobicContact CE1-CG1 4.06Å; F106-I147 HydrophobicContact CE1-CG2 4.24Å; F106-I147 HydrophobicContact CE2-CG1 4.48Å; F106-I147 HydrophobicContact CE2-CG2 3.95Å; F106-I147 HydrophobicContact CG-CG1 4.11Å; F106-I147 HydrophobicContact CZ-CB 4.35Å; F106-I147 HydrophobicContact CZ-CG1 4.34Å; F106-I147 HydrophobicContact CZ-CG2 3.77Å; I108-I147 HydrophobicContact CD1-CD1 3.9Å; I108-I147 HydrophobicContact CD1-CG1 3.93Å; P143-I147 WeakPolarHBondContact O-CG1 3.18Å; P143-I147 PolarHBondContact O-N 2.98Å; T144-I147 PolarHBondContact O-N 3.27Å; I147-R149 PolarHBondContact O-N 2.82Å; I147-I150 PolarHBondContact O-N 3.31Å; I147-L151 HydrophobicContact CG2-CD1 3.83Å; I147-L151 HydrophobicContact CG2-CG 4.19Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 3.25Å; I147-L165 HydrophobicContact CB-CD1 4.04Å; I147-L165 HydrophobicContact CG2-CD1 3.78Å; I147-I170 HydrophobicContact CG2-CD1 3.9Å; I147-I173 HydrophobicContact CD1-CD1 3.75Å; I147-I173 HydrophobicContact CD1-CG1 4.35Å; I147-I173 HydrophobicContact CD1-CG2 4.48Å |
| 148 | R | 96.4 | Very high | 93 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.4 | -55 | 179.6 | -176.3 | 177.3 | -60.1 | -78 | 1.6 | 112.2 | T144 E145 G146 I150 L151 E152 L159 P160 R161 Q163 L165 | T144-R148 WeakPolarHBondContact O-CB 3.3Å; T144-R148 PolarHBondContact O-N 3.39Å; E145-R148 WeakPolarHBondContact O-CB 3.49Å; E145-R148 PolarHBondContact O-N 3.28Å; G146-R148 VanDerWaalsContact C-N 3.35Å; R148-I150 PolarHBondContact O-N 3.37Å; R148-L151 PolarHBondContact O-N 3.22Å; R148-L151 VanDerWaalsContact O-N 3.13Å; R148-E152 HydrophobicContact CG-CG 4.31Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.28Å; R148-E152 PolarHBondContact O-N 3.07Å; R148-L159 HydrophobicContact CG-CB 4.1Å; R148-L159 PolarHBondContact NH1-O 2.91Å; R148-P160 VanDerWaalsContact CZ-O 3.23Å; R148-P160 VanDerWaalsContact NH1-C 3.29Å; R148-P160 PolarHBondContact NH1-O 3.47Å; R148-P160 PolarHBondContact NH2-O 3.2Å; R148-R161 PolarHBondContact NH2-O 2.96Å; R148-Q163 PolarHBondContact NH2-O 2.88Å; R148-L165 HydrophobicContact CB-CD1 4.15Å; R148-L165 HydrophobicContact CB-CD2 3.94Å; R148-L165 HydrophobicContact CG-CD2 4Å; R148-L165 VanDerWaalsContact CZ-CD2 3.5Å |
| 149 | R | 96.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -36.1 | -178.3 | -71.5 | -177.8 | -168.9 | -171 | 9.2 | 112.7 | L129 L131 E145 I147 Q153 | L129-R149 HydrophobicContact CD1-CB 3.66Å; L131-R149 VanDerWaalsContact CD2-CZ 3.47Å; E145-R149 HydrophobicContact CG-CG 4.48Å; E145-R149 WeakPolarHBondContact O-CG 3.46Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.52Å; E145-R149 VanDerWaalsContact OE1-CZ 3.3Å; E145-R149 IonicContact OE1-NE 2.93Å; E145-R149 PolarHBondContact OE1-NE 3.06Å; E145-R149 IonicContact OE1-NH2 2.67Å; E145-R149 PolarHBondContact OE1-NH2 2.82Å; I147-R149 PolarHBondContact O-N 2.82Å; R149-Q153 WeakPolarHBondContact O-CB 3.28Å; R149-Q153 WeakPolarHBondContact O-CG 3.24Å; R149-Q153 PolarHBondContact O-N 2.68Å; R149-Q153 VanDerWaalsContact O-N 3.08Å |
| 150 | I | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.1 | -46 | 177.2 | -68.4 | 175.3 | 0 | 0 | 0 | 110.2 | F104 F106 V117 A119 R127 L129 G146 I147 R148 E152 Q153 E154 | F104-I150 HydrophobicContact CD1-CG2 4.45Å; F104-I150 HydrophobicContact CE1-CG2 4.15Å; F106-I150 HydrophobicContact CE1-CB 4.14Å; F106-I150 HydrophobicContact CE1-CD1 4.04Å; F106-I150 HydrophobicContact CE1-CG2 4.02Å; F106-I150 HydrophobicContact CZ-CG2 4.31Å; V117-I150 HydrophobicContact CG1-CD1 3.71Å; A119-I150 HydrophobicContact CB-CD1 3.62Å; A119-I150 HydrophobicContact CB-CG2 3.89Å; R127-I150 HydrophobicContact CB-CD1 3.99Å; R127-I150 HydrophobicContact CB-CG1 4.07Å; R127-I150 HydrophobicContact CB-CG2 4.12Å; R127-I150 HydrophobicContact CG-CG2 4.22Å; L129-I150 HydrophobicContact CD1-CD1 3.99Å; L129-I150 HydrophobicContact CD1-CG1 3.52Å; L129-I150 HydrophobicContact CG-CD1 4.14Å; L129-I150 HydrophobicContact CG-CG1 4Å; G146-I150 WeakPolarHBondContact O-CG1 3.27Å; G146-I150 PolarHBondContact O-N 2.93Å; I147-I150 PolarHBondContact O-N 3.31Å; R148-I150 PolarHBondContact O-N 3.37Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 2.73Å; I150-Q153 PolarHBondContact O-N 2.62Å; I150-E154 HydrophobicContact CG2-CG 4.49Å; I150-E154 WeakPolarHBondContact O-CG 3.25Å; I150-E154 PolarHBondContact O-N 3.19Å |
| 151 | L | 94.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.2 | -66.9 | 177.6 | 0 | 0 | 0 | 111.9 | F104 F106 I147 R148 Q153 E154 A155 L159 L165 I170 | F104-L151 HydrophobicContact CD1-CD2 4.34Å; F104-L151 HydrophobicContact CD2-CD2 3.66Å; F104-L151 HydrophobicContact CE1-CD2 4.19Å; F104-L151 HydrophobicContact CE2-CD2 3.51Å; F104-L151 HydrophobicContact CG-CD2 4.1Å; F104-L151 HydrophobicContact CZ-CD2 3.79Å; F106-L151 HydrophobicContact CZ-CD2 4.44Å; I147-L151 HydrophobicContact CG2-CD1 3.83Å; I147-L151 HydrophobicContact CG2-CG 4.19Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 3.25Å; R148-L151 PolarHBondContact O-N 3.22Å; R148-L151 VanDerWaalsContact O-N 3.13Å; L151-Q153 PolarHBondContact O-N 3.21Å; L151-E154 PolarHBondContact O-N 2.76Å; L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3.27Å; L151-L159 HydrophobicContact CB-CD1 3.63Å; L151-L159 HydrophobicContact CD1-CD1 4.26Å; L151-L165 HydrophobicContact CD1-CD2 4.38Å; L151-I170 HydrophobicContact CD1-CD1 4.38Å |
| 152 | E | 93.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.8 | -69.6 | 177.9 | 149.3 | 0 | 0 | 112.3 | R148 I150 G156 M157 L159 | R148-E152 HydrophobicContact CG-CG 4.31Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.28Å; R148-E152 PolarHBondContact O-N 3.07Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 2.73Å; E152-G156 WeakPolarHBondContact O-CA 2.98Å; E152-G156 PolarHBondContact O-N 3.46Å; E152-M157 VanDerWaalsContact CA-O 3.27Å; E152-M157 WeakPolarHBondContact CA-O 3.36Å; E152-M157 WeakPolarHBondContact CB-O 3.12Å; E152-M157 WeakPolarHBondContact CG-O 3.16Å; E152-M157 PolarHBondContact O-N 2.91Å; E152-L159 HydrophobicContact CG-CB 3.92Å; E152-L159 HydrophobicContact CG-CD1 4.12Å; E152-L159 HydrophobicContact CG-CG 3.84Å; E152-L159 PolarHBondContact OE1-N 3.23Å |
| 153 | Q | 91.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.4 | -76.6 | 171.4 | 2.4 | 0 | 0 | 112.3 | R149 I150 L151 | R149-Q153 WeakPolarHBondContact O-CB 3.28Å; R149-Q153 WeakPolarHBondContact O-CG 3.24Å; R149-Q153 PolarHBondContact O-N 2.68Å; R149-Q153 VanDerWaalsContact O-N 3.08Å; I150-Q153 PolarHBondContact O-N 2.62Å; L151-Q153 PolarHBondContact O-N 3.21Å |
| 154 | E | 89.8 | Confident | 91.6 | Very high | 55 Ų | 55 | 66.5 Ų | 66.5 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -81.6 | -36.9 | -178.5 | -65.9 | -50.2 | 128.4 | 0 | 0 | 113.4 | F104 C121 H125 R127 I150 L151 | F104-E154 HydrophobicContact CE1-CB 4.17Å; F104-E154 HydrophobicContact CE1-CG 3.73Å; F104-E154 HydrophobicContact CZ-CB 3.72Å; F104-E154 HydrophobicContact CZ-CG 3.81Å; C121-E154 HydrophobicContact CB-CG 4.48Å; H125-E154 IonicContact CD2-OE1 2.68Å; H125-E154 IonicContact CD2-OE2 3.21Å; H125-E154 IonicContact CE1-OE2 2.94Å; H125-E154 PolarHBondContact CE1-OE2 2.54Å; H125-E154 VanDerWaalsContact NE2-CD 3.27Å; H125-E154 IonicContact NE2-OE1 3.31Å; H125-E154 PolarHBondContact NE2-OE1 2.85Å; H125-E154 IonicContact NE2-OE2 3.24Å; H125-E154 PolarHBondContact NE2-OE2 3.5Å; R127-E154 IonicContact CZ-OE1 2.72Å; R127-E154 IonicContact NE-OE1 2.74Å; R127-E154 PolarHBondContact NE-OE1 2.94Å; R127-E154 IonicContact NH2-OE1 3.15Å; R127-E154 PolarHBondContact NH2-OE1 2.82Å; R127-E154 IonicContact NH2-OE2 3.99Å; I150-E154 HydrophobicContact CG2-CG 4.49Å; I150-E154 WeakPolarHBondContact O-CG 3.25Å; I150-E154 PolarHBondContact O-N 3.19Å; L151-E154 PolarHBondContact O-N 2.76Å |
| 155 | A | 86.8 | Confident | 91.4 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 56% | 0.562 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -82.7 | -17.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L151 M157 | L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3.27Å; A155-M157 HydrophobicContact CB-CG 3.85Å; A155-M157 PolarHBondContact O-N 2.92Å |
| 156 | G | 86.6 | Confident | 91.1 | Very high | 72 Ų | 72 | 70 Ų | 70 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 67.9 | 18.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E152 | E152-G156 WeakPolarHBondContact O-CA 2.98Å; E152-G156 PolarHBondContact O-N 3.46Å |
| 157 | M | 86.3 | Confident | 90.8 | Very high | 111 Ų | 111 | 73.9 Ų | 73.9 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -129.4 | 146.7 | 179.9 | 66.6 | 177.9 | -71.4 | 0 | 0 | 110.8 | E152 A155 L159 | E152-M157 VanDerWaalsContact CA-O 3.27Å; E152-M157 WeakPolarHBondContact CA-O 3.36Å; E152-M157 WeakPolarHBondContact CB-O 3.12Å; E152-M157 WeakPolarHBondContact CG-O 3.16Å; E152-M157 PolarHBondContact O-N 2.91Å; A155-M157 HydrophobicContact CB-CG 3.85Å; A155-M157 PolarHBondContact O-N 2.92Å; M157-L159 HydrophobicContact CE-CD2 4.19Å; M157-L159 HydrophobicContact CG-CD2 4.46Å |
| 158 | L | 89.5 | Confident | 90.4 | Very high | 147 Ų | 147 | 76.3 Ų | 76.3 | 77% | 0.77 | 43% | 0.427 | S | S | * | . | trans | -76.2 | 137.4 | 174.7 | -65.7 | 175 | 0 | 0 | 0 | 110.3 | ||||
| 159 | L | 90.3 | Very high | 90.1 | Very high | 40 Ų | 40 | 81.2 Ų | 81.2 | 21% | 0.209 | 45% | 0.449 | C | S | . | . | trans | -109.6 | 119 | 179.5 | -65.6 | 176.9 | 0 | 0 | 0 | 109.2 | R148 L151 E152 M157 R161 L165 | R148-L159 HydrophobicContact CG-CB 4.1Å; R148-L159 PolarHBondContact NH1-O 2.91Å; L151-L159 HydrophobicContact CB-CD1 3.63Å; L151-L159 HydrophobicContact CD1-CD1 4.26Å; E152-L159 HydrophobicContact CG-CB 3.92Å; E152-L159 HydrophobicContact CG-CD1 4.12Å; E152-L159 HydrophobicContact CG-CG 3.84Å; E152-L159 PolarHBondContact OE1-N 3.23Å; M157-L159 HydrophobicContact CE-CD2 4.19Å; M157-L159 HydrophobicContact CG-CD2 4.46Å; L159-R161 PolarHBondContact O-N 3.33Å; L159-L165 HydrophobicContact CB-CD2 4.42Å; L159-L165 HydrophobicContact CD1-CD2 3.9Å | ||
| 160 | P | 90 | Very high | 90 | Very high | 61 Ų | 61 | 78.7 Ų | 78.7 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | trans | -57 | 126.9 | -176.1 | -22.6 | 31.2 | 0 | 0 | 0 | 113.2 | R148 D162 Q163 | R148-P160 VanDerWaalsContact CZ-O 3.23Å; R148-P160 VanDerWaalsContact NH1-C 3.29Å; R148-P160 PolarHBondContact NH1-O 3.47Å; R148-P160 PolarHBondContact NH2-O 3.2Å; P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 VanDerWaalsContact CB-OD1 3.23Å; P160-D162 WeakPolarHBondContact CB-OD1 3.27Å; P160-D162 PolarHBondContact O-N 2.97Å; P160-Q163 HydrophobicContact CB-CB 4.31Å; P160-Q163 HydrophobicContact CB-CG 4.15Å; P160-Q163 PolarHBondContact O-N 3.41Å | ||
| 161 | R | 86.6 | Confident | 90 | Very high | 136 Ų | 136 | 80.4 Ų | 80.4 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -27.6 | -175.5 | -76.9 | -173.7 | 171 | 154.4 | 8.6 | 114.3 | N138 E145 R148 L159 Q163 | N138-R161 VanDerWaalsContact O-CZ 3.3Å; N138-R161 PolarHBondContact O-NH1 3.4Å; E145-R161 IonicContact OE1-CZ 2.68Å; E145-R161 IonicContact OE1-NE 3.5Å; E145-R161 IonicContact OE1-NH2 3.34Å; E145-R161 PolarHBondContact OE1-NH2 3.5Å; E145-R161 IonicContact OE2-CZ 3.85Å; E145-R161 IonicContact OE2-NE 3.97Å; E145-R161 PolarHBondContact OE2-NE 2.72Å; E145-R161 IonicContact OE2-NH2 3.87Å; R148-R161 PolarHBondContact NH2-O 2.96Å; L159-R161 PolarHBondContact O-N 3.33Å; R161-Q163 VanDerWaalsContact C-N 3.29Å |
| 162 | D | 86.4 | Confident | 90.1 | Very high | 139 Ų | 139 | 81 Ų | 81 | 74% | 0.743 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -6 | -179.5 | 61 | -30.6 | 0 | 0 | 0 | 113.5 | P160 | P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 VanDerWaalsContact CB-OD1 3.23Å; P160-D162 WeakPolarHBondContact CB-OD1 3.27Å; P160-D162 PolarHBondContact O-N 2.97Å |
| 163 | Q | 88 | Confident | 90.2 | Very high | 109 Ų | 109 | 83.2 Ų | 83.2 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -110 | 145 | 179.8 | -64.4 | 178.5 | 33.4 | 0 | 0 | 111.5 | R148 P160 R161 | R148-Q163 PolarHBondContact NH2-O 2.88Å; P160-Q163 HydrophobicContact CB-CB 4.31Å; P160-Q163 HydrophobicContact CB-CG 4.15Å; P160-Q163 PolarHBondContact O-N 3.41Å; R161-Q163 VanDerWaalsContact C-N 3.29Å |
| 164 | P | 90.1 | Very high | 90.5 | Very high | 129 Ų | 129 | 85.6 Ų | 85.6 | 84% | 0.838 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 140.7 | 170.1 | -23.9 | 33.7 | 0 | 0 | 0 | 111.2 | ||
| 165 | L | 91.4 | Very high | 90.7 | Very high | 37 Ų | 37 | 88 Ų | 88 | 19% | 0.194 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 137.9 | 173.9 | -70.6 | 171.9 | 0 | 0 | 0 | 110 | T144 I147 R148 L151 L159 S167 | T144-L165 HydrophobicContact CG2-CD1 3.96Å; I147-L165 HydrophobicContact CB-CD1 4.04Å; I147-L165 HydrophobicContact CG2-CD1 3.78Å; R148-L165 HydrophobicContact CB-CD1 4.15Å; R148-L165 HydrophobicContact CB-CD2 3.94Å; R148-L165 HydrophobicContact CG-CD2 4Å; R148-L165 VanDerWaalsContact CZ-CD2 3.5Å; L151-L165 HydrophobicContact CD1-CD2 4.38Å; L159-L165 HydrophobicContact CB-CD2 4.42Å; L159-L165 HydrophobicContact CD1-CD2 3.9Å; L165-S167 PolarHBondContact O-N 3.09Å |
| 166 | D | 89.8 | Confident | 91 | Very high | 105 Ų | 105 | 86.5 Ų | 86.5 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 116.6 | 168 | -179.5 | 16.4 | 0 | 0 | 0 | 109.7 | S168 | D166-S168 WeakPolarHBondContact OD1-CB 3.36Å; D166-S168 PolarHBondContact OD1-N 3.08Å; D166-S168 PolarHBondContact OD1-OG 3.04Å; D166-S168 VanDerWaalsContact OD1-OG 3.04Å; D166-S168 PolarHBondContact OD2-OG 3.02Å |
| 167 | S | 90.5 | Very high | 91.2 | Very high | 83 Ų | 83 | 86.4 Ų | 86.4 | 58% | 0.58 | 47% | 0.467 | S | S | * | . | trans | -93.5 | 1.1 | 179.9 | 65 | 0 | 0 | 0 | 0 | 113.5 | L165 H169 I170 | L165-S167 PolarHBondContact O-N 3.09Å; S167-H169 PolarHBondContact O-N 3.41Å; S167-H169 VanDerWaalsContact O-N 3.16Å; S167-I170 PolarHBondContact O-N 3.36Å | ||
| 168 | S | 90.3 | Very high | 91.2 | Very high | 64 Ų | 64 | 83.5 Ų | 83.5 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.3 | -176.6 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | D166 | D166-S168 WeakPolarHBondContact OD1-CB 3.36Å; D166-S168 PolarHBondContact OD1-N 3.08Å; D166-S168 PolarHBondContact OD1-OG 3.04Å; D166-S168 VanDerWaalsContact OD1-OG 3.04Å; D166-S168 PolarHBondContact OD2-OG 3.02Å |
| 169 | H | 89.3 | Confident | 91 | Very high | 111 Ų | 111 | 80 Ų | 80 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 3.5 | 179.1 | -64.6 | -72.4 | 0 | 0 | 0 | 114 | R103 F104 S167 | R103-H169 CarbonylContact C-O 3.49Å; R103-H169 VanDerWaalsContact CA-O 3.24Å; R103-H169 WeakPolarHBondContact CA-O 3.49Å; R103-H169 VanDerWaalsContact CB-O 3.25Å; R103-H169 WeakPolarHBondContact CB-O 3.24Å; F104-H169 HydrophobicContact CD2-CB 4.28Å; F104-H169 WeakPolarHBondContact CD2-O 3.4Å; F104-H169 PolarHBondContact N-O 2.89Å; S167-H169 PolarHBondContact O-N 3.41Å; S167-H169 VanDerWaalsContact O-N 3.16Å |
| 170 | I | 94.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 81.5 Ų | 81.5 | 12% | 0.118 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.9 | -179.8 | -52.5 | -179 | 0 | 0 | 0 | 109.1 | F104 F106 I147 L151 S167 I173 | F104-I170 HydrophobicContact CB-CG1 4.5Å; F106-I170 HydrophobicContact CD2-CG2 3.81Å; F106-I170 HydrophobicContact CE2-CD1 3.98Å; F106-I170 HydrophobicContact CE2-CG1 4.04Å; F106-I170 HydrophobicContact CE2-CG2 3.99Å; I147-I170 HydrophobicContact CG2-CD1 3.9Å; L151-I170 HydrophobicContact CD1-CD1 4.38Å; S167-I170 PolarHBondContact O-N 3.36Å; I170-I173 HydrophobicContact CG2-CD1 4.17Å; I170-I173 HydrophobicContact CG2-CG1 3.74Å |
| 171 | A | 95.4 | Very high | 90.3 | Very high | 36 Ų | 36 | 82.5 Ų | 82.5 | 30% | 0.298 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R103 F104 H105 | R103-A171 HydrophobicContact CB-CB 3.69Å; F104-A171 PolarHBondContact O-N 2.82Å; H105-A171 WeakPolarHBondContact CE1-CB 3.48Å |
| 172 | S | 95.9 | Very high | 90.3 | Very high | 30 Ų | 30 | 78.6 Ų | 78.6 | 21% | 0.21 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 146.3 | 179.4 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | F104 H105 F106 | F104-S172 PolarHBondContact O-N 3.21Å; H105-S172 PolarHBondContact ND1-OG 2.89Å; F106-S172 PolarHBondContact N-O 2.72Å |
| 173 | I | 96.7 | Very high | 90.2 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 118 | 167.1 | -57.1 | 170.4 | 0 | 0 | 0 | 107.1 | F106 I108 I147 I170 | F106-I173 HydrophobicContact CB-CG1 4.32Å; F106-I173 HydrophobicContact CB-CG2 4.37Å; F106-I173 HydrophobicContact CD2-CG1 4.23Å; I108-I173 HydrophobicContact CD1-CG2 4.19Å; I147-I173 HydrophobicContact CD1-CD1 3.75Å; I147-I173 HydrophobicContact CD1-CG1 4.35Å; I147-I173 HydrophobicContact CD1-CG2 4.48Å; I170-I173 HydrophobicContact CG2-CD1 4.17Å; I170-I173 HydrophobicContact CG2-CG1 3.74Å |
| 174 | R | 97 | Very high | 90.2 | Very high | 157 Ų | 157 | 73 Ų | 73 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126 | 169 | -71.4 | -175.5 | -75 | -97.8 | 0.8 | 108.3 | F106 A107 I108 | F106-R174 PolarHBondContact O-N 3.5Å; A107-R174 CarbonylContact C-O 3.58Å; A107-R174 WeakPolarHBondContact CA-O 3.46Å; I108-R174 PolarHBondContact N-O 3.28Å |
| 175 | M | 94.1 | Very high | 90 | Very high | 105 Ų | 105 | 73.1 Ų | 73.1 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.1 | 179.3 | -171.8 | 178.8 | -64.4 | 0 | 0 | 110.5 | I108 P143 | I108-M175 HydrophobicContact CB-CG 4.36Å; I108-M175 HydrophobicContact CD1-CE 4.34Å; I108-M175 HydrophobicContact CG2-CE 4.49Å; I108-M175 HydrophobicContact CG2-CG 4.47Å; I108-M175 CarbonylContact O-C 3.55Å; I108-M175 WeakPolarHBondContact O-CA 3.46Å; P143-M175 HydrophobicContact CB-CE 3.4Å; P143-M175 HydrophobicContact CG-CE 3.68Å; P143-M175 HydrophobicContact CG-SD 4.23Å |
| 176 | G | 93.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 38% | 0.381 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 149 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | I108 D109 R110 | I108-G176 PolarHBondContact O-N 2.91Å; D109-G176 WeakPolarHBondContact CA-O 3.27Å; R110-G176 PolarHBondContact N-O 3.41Å |
| 177 | T | 90.4 | Very high | 89.8 | Confident | 70 Ų | 70 | 77.2 Ų | 77.2 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.8 | 171.2 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | R110 V179 | R110-T177 WeakPolarHBondContact O-CA 3.3Å; R110-T177 PolarHBondContact O-OG1 3Å; T177-V179 VanDerWaalsContact OG1-CG2 3.31Å; T177-V179 WeakPolarHBondContact OG1-CG2 3.47Å; T177-V179 PolarHBondContact OG1-N 3.31Å |
| 178 | T | 86.9 | Confident | 89.6 | Confident | 50 Ų | 50 | 80.1 Ų | 80.1 | 31% | 0.307 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -97.5 | 2.8 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 113 | R110 G111 A180 T181 N182 | R110-T178 PolarHBondContact O-N 2.95Å; R110-T178 PolarHBondContact O-OG1 3.1Å; G111-T178 WeakPolarHBondContact CA-OG1 3.37Å; T178-A180 PolarHBondContact O-N 2.9Å; T178-T181 PolarHBondContact O-N 3Å; T178-N182 WeakPolarHBondContact O-CB 3.45Å; T178-N182 VanDerWaalsContact O-CG 3.26Å; T178-N182 PolarHBondContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 2.93Å |
| 179 | V | 84.4 | Confident | 89.5 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.8 | -47.1 | -177.4 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | T177 N182 A183 | T177-V179 VanDerWaalsContact OG1-CG2 3.31Å; T177-V179 WeakPolarHBondContact OG1-CG2 3.47Å; T177-V179 PolarHBondContact OG1-N 3.31Å; V179-N182 PolarHBondContact O-N 3.36Å; V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.26Å; V179-A183 PolarHBondContact O-N 2.95Å |
| 180 | A | 81.8 | Confident | 89.6 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 59% | 0.587 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T178 A183 L184 | T178-A180 PolarHBondContact O-N 2.9Å; A180-A183 PolarHBondContact O-N 3.41Å; A180-L184 PolarHBondContact O-N 3.32Å |
| 181 | T | 84.8 | Confident | 89.6 | Confident | 82 Ų | 82 | 91.5 Ų | 91.5 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 178.6 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | T178 L184 L185 | T178-T181 PolarHBondContact O-N 3Å; T181-L184 PolarHBondContact O-N 3.45Å; T181-L185 HydrophobicContact CG2-CD1 4.13Å; T181-L185 HydrophobicContact CG2-CG 4.47Å; T181-L185 WeakPolarHBondContact O-CB 3.42Å; T181-L185 VanDerWaalsContact O-CG 3.28Å; T181-L185 WeakPolarHBondContact O-CG 3.42Å; T181-L185 PolarHBondContact O-N 2.94Å |
| 182 | N | 84.9 | Confident | 89.6 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 177 | -67.3 | -25.6 | 0 | 0 | 0 | 111.3 | T178 V179 L184 L185 E186 | T178-N182 WeakPolarHBondContact O-CB 3.45Å; T178-N182 VanDerWaalsContact O-CG 3.26Å; T178-N182 PolarHBondContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 2.93Å; V179-N182 PolarHBondContact O-N 3.36Å; N182-L184 VanDerWaalsContact C-N 3.28Å; N182-L184 PolarHBondContact O-N 3.41Å; N182-L185 PolarHBondContact O-N 3.34Å; N182-E186 VanDerWaalsContact O-CB 3.27Å; N182-E186 WeakPolarHBondContact O-CB 3.24Å; N182-E186 VanDerWaalsContact O-CG 3.3Å; N182-E186 WeakPolarHBondContact O-CG 3.27Å; N182-E186 PolarHBondContact O-N 3.25Å |
| 183 | A | 85.3 | Confident | 89.6 | Confident | 32 Ų | 32 | 94.3 Ų | 94.3 | 26% | 0.264 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V179 A180 R187 K188 | V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.26Å; V179-A183 PolarHBondContact O-N 2.95Å; A180-A183 PolarHBondContact O-N 3.41Å; A183-R187 PolarHBondContact O-N 3.15Å; A183-R187 VanDerWaalsContact O-N 3.07Å; A183-K188 PolarHBondContact O-N 3.19Å |
| 184 | L | 86.9 | Confident | 89.5 | Confident | 99 Ų | 99 | 92 Ų | 92 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 175.6 | -179.4 | 63.8 | 0 | 0 | 0 | 112.3 | A180 T181 N182 R187 L225 | A180-L184 PolarHBondContact O-N 3.32Å; T181-L184 PolarHBondContact O-N 3.45Å; N182-L184 VanDerWaalsContact C-N 3.28Å; N182-L184 PolarHBondContact O-N 3.41Å; L184-R187 PolarHBondContact O-N 2.73Å; L184-L225 HydrophobicContact CD1-CD1 3.81Å; L184-L225 HydrophobicContact CD1-CD2 3.82Å; L184-L225 HydrophobicContact CD1-CG 4.48Å |
| 185 | L | 87.6 | Confident | 89.5 | Confident | 132 Ų | 132 | 89.9 Ų | 89.9 | 69% | 0.691 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.3 | -36.5 | -179.6 | -70.1 | 173.6 | 0 | 0 | 0 | 112.5 | T181 N182 R187 | T181-L185 HydrophobicContact CG2-CD1 4.13Å; T181-L185 HydrophobicContact CG2-CG 4.47Å; T181-L185 WeakPolarHBondContact O-CB 3.42Å; T181-L185 VanDerWaalsContact O-CG 3.28Å; T181-L185 WeakPolarHBondContact O-CG 3.42Å; T181-L185 PolarHBondContact O-N 2.94Å; N182-L185 PolarHBondContact O-N 3.34Å; L185-R187 VanDerWaalsContact C-N 3.28Å |
| 186 | E | 87.2 | Confident | 89.6 | Confident | 111 Ų | 111 | 85.9 Ų | 85.9 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 1.4 | 178.4 | -64.3 | -178.7 | 175.1 | 0 | 0 | 112.9 | N182 K188 | N182-E186 VanDerWaalsContact O-CB 3.27Å; N182-E186 WeakPolarHBondContact O-CB 3.24Å; N182-E186 VanDerWaalsContact O-CG 3.3Å; N182-E186 WeakPolarHBondContact O-CG 3.27Å; N182-E186 PolarHBondContact O-N 3.25Å; E186-K188 HydrophobicContact CB-CD 4.06Å; E186-K188 HydrophobicContact CB-CG 4.01Å; E186-K188 PolarHBondContact O-N 3.43Å; E186-K188 WeakPolarHBondContact OE2-CD 3.3Å; E186-K188 VanDerWaalsContact OE2-CE 3.22Å; E186-K188 WeakPolarHBondContact OE2-CE 3.5Å; E186-K188 IonicContact OE2-NZ 3.04Å; E186-K188 PolarHBondContact OE2-NZ 3.08Å |
| 187 | R | 88.3 | Confident | 89.8 | Confident | 117 Ų | 117 | 85.9 Ų | 85.9 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 32.5 | -175.6 | -62.1 | -71.8 | -174.1 | 147.6 | -2 | 113.1 | A183 L184 L185 G189 E223 V224 L225 | A183-R187 PolarHBondContact O-N 3.15Å; A183-R187 VanDerWaalsContact O-N 3.07Å; L184-R187 PolarHBondContact O-N 2.73Å; L185-R187 VanDerWaalsContact C-N 3.28Å; R187-G189 PolarHBondContact O-N 2.99Å; R187-E223 PolarHBondContact NH1-O 3.38Å; R187-E223 PolarHBondContact NH2-O 3.32Å; R187-V224 PolarHBondContact NH1-O 3.44Å; R187-L225 VanDerWaalsContact NH1-CD2 3.26Å |
| 188 | K | 87 | Confident | 90 | Very high | 143 Ų | 143 | 88.2 Ų | 88.2 | 62% | 0.622 | 47% | 0.471 | S | S | * | . | trans | -95.7 | 71.1 | 177 | -68.7 | 179.6 | -176.9 | 164.7 | 0 | 110.1 | A183 E186 | A183-K188 PolarHBondContact O-N 3.19Å; E186-K188 HydrophobicContact CB-CD 4.06Å; E186-K188 HydrophobicContact CB-CG 4.01Å; E186-K188 PolarHBondContact O-N 3.43Å; E186-K188 WeakPolarHBondContact OE2-CD 3.3Å; E186-K188 VanDerWaalsContact OE2-CE 3.22Å; E186-K188 WeakPolarHBondContact OE2-CE 3.5Å; E186-K188 IonicContact OE2-NZ 3.04Å; E186-K188 PolarHBondContact OE2-NZ 3.08Å | ||
| 189 | G | 87.5 | Confident | 90.5 | Very high | 67 Ų | 67 | 88.8 Ų | 88.8 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | trans | -120.5 | 174.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R187 | R187-G189 PolarHBondContact O-N 2.99Š| ||
| 190 | E | 92.5 | Very high | 91 | Very high | 174 Ų | 174 | 89.6 Ų | 89.6 | 81% | 0.813 | 48% | 0.484 | S | S | * | . | trans | -78.4 | 161.6 | 168.6 | -69.1 | -60.4 | 147.8 | 0 | 0 | 111 | V192 | E190-V192 PolarHBondContact O-N 3.35Š| ||
| 191 | R | 93.4 | Very high | 91.6 | Very high | 196 Ų | 196 | 92.5 Ų | 92.5 | 74% | 0.74 | 48% | 0.48 | S | S | * | . | trans | -66.1 | 126.9 | 175.6 | -56.5 | 179.1 | 60.1 | -143.9 | -6.2 | 109.5 | E227 | R191-E227 VanDerWaalsContact CG-OE1 3.3Å; R191-E227 WeakPolarHBondContact CG-OE1 3.22Å; R191-E227 IonicContact CZ-OE2 2.95Å; R191-E227 IonicContact NE-OE1 2.76Å; R191-E227 PolarHBondContact NE-OE1 3.4Å; R191-E227 IonicContact NE-OE2 3.3Å; R191-E227 PolarHBondContact NE-OE2 3.37Å; R191-E227 IonicContact NH2-OE2 3.5Å; R191-E227 PolarHBondContact NH2-OE2 3.01Å | ||
| 192 | V | 94.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 92.3 Ų | 92.3 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | trans | -125 | 142.2 | -177.9 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | E190 L225 Y226 E227 | E190-V192 PolarHBondContact O-N 3.35Å; V192-L225 VanDerWaalsContact CG2-O 3.26Å; V192-L225 WeakPolarHBondContact CG2-O 3.47Å; V192-Y226 WeakPolarHBondContact O-CA 3.33Å; V192-E227 PolarHBondContact O-N 2.87Å | ||
| 193 | A | 96 | Very high | 92.5 | Very high | 52 Ų | 52 | 94.2 Ų | 94.2 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | E228 | A193-E228 CarbonylContact C-O 3.59Å; A193-E228 WeakPolarHBondContact CA-O 3.44Å; A193-E228 HydrophobicContact CB-CB 4.17Å |
| 194 | L | 96.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 97.5 Ų | 97.5 | 19% | 0.188 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.1 | 175 | 175.6 | 65.4 | 0 | 0 | 0 | 109.5 | V196 L204 Y226 E228 V229 L230 | L194-V196 HydrophobicContact CG-CB 4.33Å; L194-L204 HydrophobicContact CD1-CD1 3.89Å; L194-L204 HydrophobicContact CD2-CB 4.44Å; L194-L204 HydrophobicContact CD2-CD1 3.79Å; L194-L204 HydrophobicContact CD2-CG 4.15Å; L194-L204 HydrophobicContact CG-CD1 4.49Å; L194-Y226 HydrophobicContact CB-CD1 4.12Å; L194-Y226 HydrophobicContact CB-CD2 4.33Å; L194-Y226 HydrophobicContact CB-CG 3.92Å; L194-Y226 HydrophobicContact CD2-CD1 4.09Å; L194-Y226 HydrophobicContact CD2-CE1 3.87Å; L194-E228 PolarHBondContact N-O 3.32Å; L194-V229 HydrophobicContact CB-CG1 4.44Å; L194-V229 HydrophobicContact CB-CG2 4.3Å; L194-V229 HydrophobicContact CD2-CG1 4.19Å; L194-V229 HydrophobicContact CD2-CG2 4.27Å; L194-V229 HydrophobicContact CG-CG1 4.37Å; L194-V229 CarbonylContact O-C 3.54Å; L194-V229 VanDerWaalsContact O-CA 3.3Å; L194-V229 WeakPolarHBondContact O-CA 3.37Å; L194-L230 PolarHBondContact O-N 3.5Å |
| 195 | L | 96.8 | Very high | 92.9 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.7 | 166.8 | -79.6 | 68 | 0 | 0 | 0 | 108.2 | L230 | L195-L230 WeakPolarHBondContact CA-O 3.45Å; L195-L230 HydrophobicContact CD1-CB 4.37Å; L195-L230 HydrophobicContact CD1-CD1 4.02Å; L195-L230 HydrophobicContact CG-CB 4.16Å; L195-L230 HydrophobicContact CG-CD1 4.44Å |
| 196 | V | 96.2 | Very high | 93 | Very high | 21 Ų | 21 | 95 Ų | 95 | 13% | 0.127 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 155.5 | -176.8 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | L194 F200 V229 L230 E231 V232 | L194-V196 HydrophobicContact CG-CB 4.33Å; V196-F200 HydrophobicContact CG2-CB 3.75Å; V196-V229 HydrophobicContact CG1-CG1 3.63Å; V196-L230 PolarHBondContact N-O 3Å; V196-E231 HydrophobicContact CG1-CG 4.24Å; V196-E231 CarbonylContact O-C 3.53Å; V196-E231 VanDerWaalsContact O-CA 3.25Å; V196-E231 WeakPolarHBondContact O-CA 3.4Å; V196-V232 PolarHBondContact O-N 3.1Å |
| 197 | T | 96.2 | Very high | 93.1 | Very high | 37 Ų | 37 | 91.9 Ų | 91.9 | 23% | 0.227 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 134.6 | 176.4 | -45.6 | 0 | 0 | 0 | 0 | 111.7 | G199 F200 E234 | T197-G199 PolarHBondContact O-N 2.92Å; T197-F200 HydrophobicContact CG2-CD2 4.05Å; T197-F200 HydrophobicContact CG2-CE2 4.25Å; T197-F200 VanDerWaalsContact O-CB 3.31Å; T197-F200 WeakPolarHBondContact O-CB 3.32Å; T197-F200 PolarHBondContact O-N 2.94Å; T197-E234 WeakPolarHBondContact CA-OE1 3.42Å; T197-E234 WeakPolarHBondContact CA-OE2 3.33Å; T197-E234 WeakPolarHBondContact CB-OE1 3.45Å; T197-E234 HydrophobicContact CG2-CG 4.47Å; T197-E234 WeakPolarHBondContact CG2-O 3.47Å; T197-E234 WeakPolarHBondContact CG2-OE1 3.44Å; T197-E234 PolarHBondContact N-OE1 3.05Å; T197-E234 PolarHBondContact OG1-OE1 3.07Å |
| 198 | R | 96.1 | Very high | 93.1 | Very high | 118 Ų | 118 | 92.5 Ų | 92.5 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 132.8 | -179.4 | 176.4 | 176.6 | -73.9 | 161.9 | 7.4 | 111.4 | E231 V232 D233 R235 | R198-E231 HydrophobicContact CB-CB 4.21Å; R198-V232 WeakPolarHBondContact CA-O 3.48Å; R198-V232 WeakPolarHBondContact CB-O 3.43Å; R198-V232 PolarHBondContact N-O 3.02Å; R198-D233 VanDerWaalsContact CD-OD1 3.27Å; R198-D233 WeakPolarHBondContact CD-OD1 3.45Å; R198-D233 IonicContact CZ-OD1 3.21Å; R198-D233 IonicContact CZ-OD2 3.89Å; R198-D233 IonicContact NE-OD1 3.67Å; R198-D233 PolarHBondContact NE-OD1 2.96Å; R198-D233 IonicContact NE-OD2 2.62Å; R198-D233 IonicContact NH1-OD1 2.72Å; R198-D233 PolarHBondContact NH1-OD1 2.99Å; R198-D233 IonicContact NH1-OD2 3.53Å; R198-D233 PolarHBondContact NH1-OD2 2.79Å; R198-D233 IonicContact NH2-OD1 3.55Å; R198-D233 IonicContact NH2-OD2 2.89Å; R198-D233 PolarHBondContact NH2-OD2 2.92Å; R198-R235 VanDerWaalsContact O-CZ 3.22Å; R198-R235 PolarHBondContact O-NH1 3.08Å; R198-R235 PolarHBondContact O-NH2 3.48Å |
| 199 | G | 95.9 | Very high | 93 | Very high | 62 Ų | 62 | 91.4 Ų | 91.4 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 0.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | T197 E231 | T197-G199 PolarHBondContact O-N 2.92Å; G199-E231 WeakPolarHBondContact CA-OE1 3.2Å; G199-E231 PolarHBondContact N-OE1 3.42Å |
| 200 | F | 95.8 | Very high | 92.9 | Very high | 90 Ų | 90 | 92.1 Ų | 92.1 | 40% | 0.395 | 49% | 0.493 | S | S | . | . | trans | -121.7 | 17.8 | 178.8 | -64.5 | -85.5 | 0 | 0 | 0 | 113.2 | V196 T197 D202 L203 E231 | V196-F200 HydrophobicContact CG2-CB 3.75Å; T197-F200 HydrophobicContact CG2-CD2 4.05Å; T197-F200 HydrophobicContact CG2-CE2 4.25Å; T197-F200 VanDerWaalsContact O-CB 3.31Å; T197-F200 WeakPolarHBondContact O-CB 3.32Å; T197-F200 PolarHBondContact O-N 2.94Å; F200-D202 PolarHBondContact O-N 2.9Å; F200-D202 VanDerWaalsContact O-N 3.08Å; F200-L203 HydrophobicContact CB-CB 4.28Å; F200-L203 HydrophobicContact CD1-CD1 4.41Å; F200-L203 HydrophobicContact CD1-CD2 4.41Å; F200-L203 VanDerWaalsContact O-CB 3.22Å; F200-L203 WeakPolarHBondContact O-CB 3.5Å; F200-L203 PolarHBondContact O-N 2.68Å; F200-E231 PolarHBondContact N-OE1 3.28Å | ||
| 201 | R | 95.4 | Very high | 92.4 | Very high | 132 Ų | 132 | 89.9 Ų | 89.9 | 50% | 0.498 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.5 | -46.3 | 177 | -171.3 | 173.7 | -176.3 | -93.6 | 2.6 | 114.5 | V229 E231 | R201-V229 HydrophobicContact CB-CG1 4.43Å; R201-V229 HydrophobicContact CG-CB 4.06Å; R201-V229 HydrophobicContact CG-CG1 3.81Å; R201-E231 HydrophobicContact CB-CG 4.11Å; R201-E231 WeakPolarHBondContact CB-OE1 3.31Å; R201-E231 PolarHBondContact N-OE1 3.08Å |
| 202 | D | 93.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 85 Ų | 85 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.9 | -171.7 | -55.1 | -39.1 | 0 | 0 | 0 | 113.1 | F200 L204 H205 I206 | F200-D202 PolarHBondContact O-N 2.9Å; F200-D202 VanDerWaalsContact O-N 3.08Å; D202-L204 PolarHBondContact O-N 3.34Å; D202-H205 WeakPolarHBondContact O-CB 3.36Å; D202-H205 PolarHBondContact O-N 3.02Å; D202-H205 VanDerWaalsContact O-N 3.09Å; D202-I206 HydrophobicContact CB-CD1 4.14Å; D202-I206 HydrophobicContact CB-CG1 4.41Å; D202-I206 WeakPolarHBondContact O-CG1 3.43Å; D202-I206 PolarHBondContact O-N 3.26Å |
| 203 | L | 93.1 | Very high | 91.5 | Very high | 93 Ų | 93 | 86.2 Ų | 86.2 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.8 | -48.5 | -173.2 | -177.4 | 66.6 | 0 | 0 | 0 | 112.9 | F200 G207 | F200-L203 HydrophobicContact CB-CB 4.28Å; F200-L203 HydrophobicContact CD1-CD1 4.41Å; F200-L203 HydrophobicContact CD1-CD2 4.41Å; F200-L203 VanDerWaalsContact O-CB 3.22Å; F200-L203 WeakPolarHBondContact O-CB 3.5Å; F200-L203 PolarHBondContact O-N 2.68Å; L203-G207 PolarHBondContact O-N 2.97Å |
| 204 | L | 91.7 | Very high | 91 | Very high | 101 Ų | 101 | 89.6 Ų | 89.6 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.6 | -23.1 | 179.6 | -65.2 | -171.3 | 0 | 0 | 0 | 113.2 | L194 D202 Y226 | L194-L204 HydrophobicContact CD1-CD1 3.89Å; L194-L204 HydrophobicContact CD2-CB 4.44Å; L194-L204 HydrophobicContact CD2-CD1 3.79Å; L194-L204 HydrophobicContact CD2-CG 4.15Å; L194-L204 HydrophobicContact CG-CD1 4.49Å; D202-L204 PolarHBondContact O-N 3.34Å; L204-Y226 HydrophobicContact CB-CE1 3.84Å; L204-Y226 HydrophobicContact CD1-CE1 4.19Å |
| 205 | H | 89.9 | Confident | 90.7 | Very high | 87 Ų | 87 | 96.2 Ų | 96.2 | 40% | 0.403 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72 | -42.3 | 173.6 | -177.8 | 69.6 | 0 | 0 | 0 | 111.2 | D202 M221 V224 Y226 | D202-H205 WeakPolarHBondContact O-CB 3.36Å; D202-H205 PolarHBondContact O-N 3.02Å; D202-H205 VanDerWaalsContact O-N 3.09Å; H205-M221 PolarHBondContact CE1-SD 2.98Å; H205-M221 PolarHBondContact NE2-SD 3.18Å; H205-V224 HydrophobicContact CB-CG1 4.48Å; H205-Y226 PolarHBondContact N-OH 2.98Å |
| 206 | I | 90.4 | Very high | 90.3 | Very high | 92 Ų | 92 | 94.1 Ų | 94.1 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 173.3 | -64.1 | 163.8 | 0 | 0 | 0 | 110 | D202 Q209 | D202-I206 HydrophobicContact CB-CD1 4.14Å; D202-I206 HydrophobicContact CB-CG1 4.41Å; D202-I206 WeakPolarHBondContact O-CG1 3.43Å; D202-I206 PolarHBondContact O-N 3.26Å; I206-Q209 HydrophobicContact CG2-CG 4.11Å; I206-Q209 PolarHBondContact O-NE2 3.37Å |
| 207 | G | 89.2 | Confident | 89.8 | Confident | 45 Ų | 45 | 101.2 Ų | 101.2 | 46% | 0.464 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.6 | -154.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L203 Q209 | L203-G207 PolarHBondContact O-N 2.97Å; G207-Q209 VanDerWaalsContact C-N 3.34Å |
| 208 | T | 87.3 | Confident | 89.3 | Confident | 130 Ų | 130 | 103.2 Ų | 103.2 | 80% | 0.798 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -4.9 | -175 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | A210 | T208-A210 PolarHBondContact O-N 3.41Å; T208-A210 WeakPolarHBondContact OG1-CB 3.45Å |
| 209 | Q | 85.7 | Confident | 88.7 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | trans | 54.4 | 14.9 | -172.4 | -61.2 | -70.2 | -64.8 | 0 | 0 | 114 | I206 G207 R211 | I206-Q209 HydrophobicContact CG2-CG 4.11Å; I206-Q209 PolarHBondContact O-NE2 3.37Å; G207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-R211 PolarHBondContact O-N 2.9Å | ||
| 210 | A | 84.5 | Confident | 88 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 69% | 0.686 | 58% | 0.579 | S | S | * | * | trans | -67.6 | 127.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T208 | T208-A210 PolarHBondContact O-N 3.41Å; T208-A210 WeakPolarHBondContact OG1-CB 3.45Å | ||
| 211 | R | 82.3 | Confident | 87.2 | Confident | 127 Ų | 127 | 104.2 Ų | 104.2 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | trans | -110.9 | 130.8 | -179.8 | -62.5 | -171.7 | -179.6 | -161.4 | -1.1 | 110.2 | Q209 | Q209-R211 PolarHBondContact O-N 2.9Š| ||
| 212 | G | 82.7 | Confident | 86.6 | Confident | 94 Ų | 94 | 103.1 Ų | 103.1 | 97% | 0.969 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -68.2 | -44.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 213 | D | 86.4 | Confident | 86.3 | Confident | 98 Ų | 98 | 106.6 Ų | 106.6 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -113 | 117.6 | 168.3 | -166 | -32.3 | 0 | 0 | 0 | 109.2 | F215 D216 | D213-F215 VanDerWaalsContact C-N 3.28Å; D213-F215 PolarHBondContact O-N 2.96Å; D213-F215 PolarHBondContact OD1-N 3.45Å; D213-F215 VanDerWaalsContact OD1-N 3.12Å; D213-D216 HydrophobicContact CB-CB 4.13Å |
| 214 | L | 86.1 | Confident | 86.1 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -69.3 | -27.2 | -173 | -172.7 | 61.9 | 0 | 0 | 0 | 112.6 | ||
| 215 | F | 89.6 | Confident | 86.1 | Confident | 175 Ų | 175 | 104.9 Ų | 104.9 | 77% | 0.768 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -103.5 | -4.2 | -172.4 | -59.4 | -66.4 | 0 | 0 | 0 | 113.9 | D213 L217 | D213-F215 VanDerWaalsContact C-N 3.28Å; D213-F215 PolarHBondContact O-N 2.96Å; D213-F215 PolarHBondContact OD1-N 3.45Å; D213-F215 VanDerWaalsContact OD1-N 3.12Å; F215-L217 PolarHBondContact O-N 2.94Å |
| 216 | D | 88.6 | Confident | 86.3 | Confident | 71 Ų | 71 | 102.6 Ų | 102.6 | 38% | 0.38 | 59% | 0.591 | S | S | . | * | trans | -65.7 | 122.1 | 171.5 | -170.6 | 3.8 | 0 | 0 | 0 | 110 | D213 A218 V219 | D213-D216 HydrophobicContact CB-CB 4.13Å; D216-A218 PolarHBondContact OD1-N 3.03Å; D216-V219 HydrophobicContact CB-CG2 4.13Å; D216-V219 WeakPolarHBondContact O-CG2 3.42Å | ||
| 217 | L | 86.1 | Confident | 86.5 | Confident | 170 Ų | 170 | 104 Ų | 104 | 89% | 0.89 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -85.6 | -20.1 | 178.3 | -63 | 178.1 | 0 | 0 | 0 | 111.7 | F215 | F215-L217 PolarHBondContact O-N 2.94Š|
| 218 | A | 85.6 | Confident | 86.8 | Confident | 79 Ų | 79 | 107.3 Ų | 107.3 | 65% | 0.653 | 60% | 0.599 | S | S | * | * | trans | -108.1 | 55.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D216 P220 | D216-A218 PolarHBondContact OD1-N 3.03Å; A218-P220 VanDerWaalsContact O-CD 3.29Å; A218-P220 WeakPolarHBondContact O-CD 3.31Å | ||
| 219 | V | 81.8 | Confident | 87.3 | Confident | 74 Ų | 74 | 102.3 Ų | 102.3 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 116.2 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | D216 | D216-V219 HydrophobicContact CB-CG2 4.13Å; D216-V219 WeakPolarHBondContact O-CG2 3.42Å |
| 220 | P | 81.2 | Confident | 87.8 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 133.1 | 174.7 | 29.7 | -33.3 | 0 | 0 | 0 | 110 | A218 | A218-P220 VanDerWaalsContact O-CD 3.29Å; A218-P220 WeakPolarHBondContact O-CD 3.31Å |
| 221 | M | 80.8 | Confident | 88.4 | Confident | 108 Ų | 108 | 99.9 Ų | 99.9 | 53% | 0.532 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -77 | 129.6 | 174.6 | -170.1 | 177 | -70.8 | 0 | 0 | 109.7 | H205 | H205-M221 PolarHBondContact CE1-SD 2.98Å; H205-M221 PolarHBondContact NE2-SD 3.18Å |
| 222 | P | 82.3 | Confident | 89.1 | Confident | 109 Ų | 109 | 96.3 Ų | 96.3 | 71% | 0.708 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 141.8 | 173.4 | -21.8 | 32.9 | 0 | 0 | 0 | 111.5 | ||
| 223 | E | 86.6 | Confident | 89.7 | Confident | 153 Ų | 153 | 95 Ų | 95 | 72% | 0.715 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -66 | 142.3 | 173 | -65.9 | 179.6 | 171.4 | 0 | 0 | 111.4 | R187 | R187-E223 PolarHBondContact NH1-O 3.38Å; R187-E223 PolarHBondContact NH2-O 3.32Å |
| 224 | V | 90.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 92.9 Ų | 92.9 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 161.5 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | R187 H205 Y226 | R187-V224 PolarHBondContact NH1-O 3.44Å; H205-V224 HydrophobicContact CB-CG1 4.48Å; V224-Y226 HydrophobicContact CB-CD1 4.09Å; V224-Y226 HydrophobicContact CB-CE1 3.68Å; V224-Y226 HydrophobicContact CB-CE2 4.23Å; V224-Y226 HydrophobicContact CG1-CE1 3.84Å; V224-Y226 HydrophobicContact CG1-CE2 4.48Å; V224-Y226 HydrophobicContact CG2-CD2 4.3Å; V224-Y226 HydrophobicContact CG2-CE1 4.35Å; V224-Y226 HydrophobicContact CG2-CE2 4.01Å |
| 225 | L | 91.6 | Very high | 89.9 | Confident | 105 Ų | 105 | 93.5 Ų | 93.5 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -92.1 | -20.4 | 178.5 | -70.6 | 166.6 | 0 | 0 | 0 | 113.4 | L184 R187 V192 | L184-L225 HydrophobicContact CD1-CD1 3.81Å; L184-L225 HydrophobicContact CD1-CD2 3.82Å; L184-L225 HydrophobicContact CD1-CG 4.48Å; R187-L225 VanDerWaalsContact NH1-CD2 3.26Å; V192-L225 VanDerWaalsContact CG2-O 3.26Å; V192-L225 WeakPolarHBondContact CG2-O 3.47Å |
| 226 | Y | 93.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 91.4 Ų | 91.4 | 15% | 0.149 | 49% | 0.49 | C | S | . | . | trans | -94.5 | 151 | -176.3 | 55.4 | -96 | 0 | 0 | 0 | 112.1 | V192 L194 L204 H205 V224 V229 | V192-Y226 WeakPolarHBondContact O-CA 3.33Å; L194-Y226 HydrophobicContact CB-CD1 4.12Å; L194-Y226 HydrophobicContact CB-CD2 4.33Å; L194-Y226 HydrophobicContact CB-CG 3.92Å; L194-Y226 HydrophobicContact CD2-CD1 4.09Å; L194-Y226 HydrophobicContact CD2-CE1 3.87Å; L204-Y226 HydrophobicContact CB-CE1 3.84Å; L204-Y226 HydrophobicContact CD1-CE1 4.19Å; H205-Y226 PolarHBondContact N-OH 2.98Å; V224-Y226 HydrophobicContact CB-CD1 4.09Å; V224-Y226 HydrophobicContact CB-CE1 3.68Å; V224-Y226 HydrophobicContact CB-CE2 4.23Å; V224-Y226 HydrophobicContact CG1-CE1 3.84Å; V224-Y226 HydrophobicContact CG1-CE2 4.48Å; V224-Y226 HydrophobicContact CG2-CD2 4.3Å; V224-Y226 HydrophobicContact CG2-CE1 4.35Å; V224-Y226 HydrophobicContact CG2-CE2 4.01Å; Y226-V229 HydrophobicContact CD2-CG2 3.54Å; Y226-V229 HydrophobicContact CE2-CG2 3.25Å | ||
| 227 | E | 94.6 | Very high | 89.5 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -98.4 | -29.6 | 176.3 | -65.8 | -175 | -171 | 0 | 0 | 112.7 | R191 V192 | R191-E227 VanDerWaalsContact CG-OE1 3.3Å; R191-E227 WeakPolarHBondContact CG-OE1 3.22Å; R191-E227 IonicContact CZ-OE2 2.95Å; R191-E227 IonicContact NE-OE1 2.76Å; R191-E227 PolarHBondContact NE-OE1 3.4Å; R191-E227 IonicContact NE-OE2 3.3Å; R191-E227 PolarHBondContact NE-OE2 3.37Å; R191-E227 IonicContact NH2-OE2 3.5Å; R191-E227 PolarHBondContact NH2-OE2 3.01Å; V192-E227 PolarHBondContact O-N 2.87Å |
| 228 | E | 95.5 | Very high | 89 | Confident | 115 Ų | 115 | 93 Ų | 93 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.1 | -176.6 | -171.2 | 173.2 | -177 | 0 | 0 | 110.3 | A193 L194 L230 | A193-E228 CarbonylContact C-O 3.59Å; A193-E228 WeakPolarHBondContact CA-O 3.44Å; A193-E228 HydrophobicContact CB-CB 4.17Å; L194-E228 PolarHBondContact N-O 3.32Å; E228-L230 HydrophobicContact CG-CD2 4.49Å; E228-L230 HydrophobicContact CG-CG 4.46Å |
| 229 | V | 97.1 | Very high | 88.3 | Confident | 26 Ų | 26 | 94.5 Ų | 94.5 | 16% | 0.158 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.9 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | L194 V196 R201 Y226 | L194-V229 HydrophobicContact CB-CG1 4.44Å; L194-V229 HydrophobicContact CB-CG2 4.3Å; L194-V229 HydrophobicContact CD2-CG1 4.19Å; L194-V229 HydrophobicContact CD2-CG2 4.27Å; L194-V229 HydrophobicContact CG-CG1 4.37Å; L194-V229 CarbonylContact O-C 3.54Å; L194-V229 VanDerWaalsContact O-CA 3.3Å; L194-V229 WeakPolarHBondContact O-CA 3.37Å; V196-V229 HydrophobicContact CG1-CG1 3.63Å; R201-V229 HydrophobicContact CB-CG1 4.43Å; R201-V229 HydrophobicContact CG-CB 4.06Å; R201-V229 HydrophobicContact CG-CG1 3.81Å; Y226-V229 HydrophobicContact CD2-CG2 3.54Å; Y226-V229 HydrophobicContact CE2-CG2 3.25Å |
| 230 | L | 97.4 | Very high | 87.5 | Confident | 76 Ų | 76 | 103 Ų | 103 | 40% | 0.398 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.9 | 177.5 | -65.6 | 170.7 | 0 | 0 | 0 | 108.9 | L194 L195 V196 E228 | L194-L230 PolarHBondContact O-N 3.5Å; L195-L230 WeakPolarHBondContact CA-O 3.45Å; L195-L230 HydrophobicContact CD1-CB 4.37Å; L195-L230 HydrophobicContact CD1-CD1 4.02Å; L195-L230 HydrophobicContact CG-CB 4.16Å; L195-L230 HydrophobicContact CG-CD1 4.44Å; V196-L230 PolarHBondContact N-O 3Å; E228-L230 HydrophobicContact CG-CD2 4.49Å; E228-L230 HydrophobicContact CG-CG 4.46Å |
| 231 | E | 96.8 | Very high | 86.7 | Confident | 76 Ų | 76 | 99.7 Ų | 99.7 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.3 | 177.8 | -72.2 | -165.5 | 122.4 | 0 | 0 | 111.4 | V196 R198 G199 F200 R201 | V196-E231 HydrophobicContact CG1-CG 4.24Å; V196-E231 CarbonylContact O-C 3.53Å; V196-E231 VanDerWaalsContact O-CA 3.25Å; V196-E231 WeakPolarHBondContact O-CA 3.4Å; R198-E231 HydrophobicContact CB-CB 4.21Å; G199-E231 WeakPolarHBondContact CA-OE1 3.2Å; G199-E231 PolarHBondContact N-OE1 3.42Å; F200-E231 PolarHBondContact N-OE1 3.28Å; R201-E231 HydrophobicContact CB-CG 4.11Å; R201-E231 WeakPolarHBondContact CB-OE1 3.31Å; R201-E231 PolarHBondContact N-OE1 3.08Å |
| 232 | V | 96.7 | Very high | 85.8 | Confident | 52 Ų | 52 | 102 Ų | 102 | 32% | 0.315 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 143.9 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | V196 R198 E234 | V196-V232 PolarHBondContact O-N 3.1Å; R198-V232 WeakPolarHBondContact CA-O 3.48Å; R198-V232 WeakPolarHBondContact CB-O 3.43Å; R198-V232 PolarHBondContact N-O 3.02Å; V232-E234 VanDerWaalsContact CB-OE2 3.24Å; V232-E234 WeakPolarHBondContact CB-OE2 3.49Å; V232-E234 HydrophobicContact CG1-CB 4.29Å; V232-E234 HydrophobicContact CG1-CG 4.49Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.33Å; V232-E234 PolarHBondContact O-N 3.43Å |
| 233 | D | 95.1 | Very high | 84.7 | Confident | 66 Ų | 66 | 102.1 Ų | 102.1 | 35% | 0.353 | 53% | 0.525 | S | S | . | . | trans | -84.1 | 77.1 | 173.8 | -87.6 | -42.9 | 0 | 0 | 0 | 111 | R198 R252 T253 | R198-D233 VanDerWaalsContact CD-OD1 3.27Å; R198-D233 WeakPolarHBondContact CD-OD1 3.45Å; R198-D233 IonicContact CZ-OD1 3.21Å; R198-D233 IonicContact CZ-OD2 3.89Å; R198-D233 IonicContact NE-OD1 3.67Å; R198-D233 PolarHBondContact NE-OD1 2.96Å; R198-D233 IonicContact NE-OD2 2.62Å; R198-D233 IonicContact NH1-OD1 2.72Å; R198-D233 PolarHBondContact NH1-OD1 2.99Å; R198-D233 IonicContact NH1-OD2 3.53Å; R198-D233 PolarHBondContact NH1-OD2 2.79Å; R198-D233 IonicContact NH2-OD1 3.55Å; R198-D233 IonicContact NH2-OD2 2.89Å; R198-D233 PolarHBondContact NH2-OD2 2.92Å; D233-R252 VanDerWaalsContact O-O 3.1Å; D233-T253 WeakPolarHBondContact CB-OXT 3.4Å; D233-T253 WeakPolarHBondContact O-CA 3.29Å | ||
| 234 | E | 88.9 | Confident | 83.5 | Confident | 53 Ų | 53 | 99 Ų | 99 | 25% | 0.248 | 53% | 0.533 | C | S | . | . | trans | -141.5 | 160.5 | 177.7 | 91 | -61.8 | 177.1 | 0 | 0 | 112.3 | T197 V232 | T197-E234 WeakPolarHBondContact CA-OE1 3.42Å; T197-E234 WeakPolarHBondContact CA-OE2 3.33Å; T197-E234 WeakPolarHBondContact CB-OE1 3.45Å; T197-E234 HydrophobicContact CG2-CG 4.47Å; T197-E234 WeakPolarHBondContact CG2-O 3.47Å; T197-E234 WeakPolarHBondContact CG2-OE1 3.44Å; T197-E234 PolarHBondContact N-OE1 3.05Å; T197-E234 PolarHBondContact OG1-OE1 3.07Å; V232-E234 VanDerWaalsContact CB-OE2 3.24Å; V232-E234 WeakPolarHBondContact CB-OE2 3.49Å; V232-E234 HydrophobicContact CG1-CB 4.29Å; V232-E234 HydrophobicContact CG1-CG 4.49Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.33Å; V232-E234 PolarHBondContact O-N 3.43Å | ||
| 235 | R | 89.1 | Confident | 82.2 | Confident | 135 Ų | 135 | 100.8 Ų | 100.8 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | trans | -147.7 | 135.5 | 167.8 | -74.2 | -58.2 | -172.6 | -89.5 | 11.3 | 110.4 | R198 | R198-R235 VanDerWaalsContact O-CZ 3.22Å; R198-R235 PolarHBondContact O-NH1 3.08Å; R198-R235 PolarHBondContact O-NH2 3.48Å | ||
| 236 | V | 85.4 | Confident | 80.4 | Confident | 132 Ų | 132 | 97.3 Ų | 97.3 | 80% | 0.8 | 53% | 0.533 | S | S | * | . | trans | -115.6 | 133.6 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 237 | V | 83 | Confident | 78.5 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | trans | -115.5 | 130.1 | 174.5 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | H239 | V237-H239 PolarHBondContact O-N 2.88Š| ||
| 238 | L | 75.4 | Confident | 76.8 | Confident | 164 Ų | 164 | 101.1 Ų | 101.1 | 86% | 0.859 | 57% | 0.572 | S | S | * | * | trans | -63.5 | 118.7 | 174.4 | -69.1 | 173.5 | 0 | 0 | 0 | 109.4 | R240 | L238-R240 PolarHBondContact O-N 2.97Š| ||
| 239 | H | 72.2 | Confident | 75 | Confident | 111 Ų | 111 | 100.4 Ų | 100.4 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | trans | -84.3 | 113 | 175.3 | -172.6 | 71.1 | 0 | 0 | 0 | 109.8 | V237 G241 G246 | V237-H239 PolarHBondContact O-N 2.88Å; H239-G241 PolarHBondContact CD2-N 3.33Å; H239-G241 PolarHBondContact O-N 3.09Å; H239-G246 WeakPolarHBondContact NE2-CA 3.49Å | ||
| 240 | R | 63.9 | Low | 72.7 | Confident | 253 Ų | 253 | 108.5 Ų | 108.5 | 96% | 0.955 | 61% | 0.608 | S | S | * | * | trans | -89.3 | 78.8 | 169.4 | -73.7 | -175.1 | 178.8 | 179.9 | 0.1 | 109.3 | L238 | L238-R240 PolarHBondContact O-N 2.97Š| ||
| 241 | G | 64.3 | Low | 70.4 | Confident | 39 Ų | 39 | 107.2 Ų | 107.2 | 40% | 0.402 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -134 | 160.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | H239 | H239-G241 PolarHBondContact CD2-N 3.33Å; H239-G241 PolarHBondContact O-N 3.09Å |
| 242 | E | 62.3 | Low | 68.1 | Low | 156 Ų | 156 | 114.3 Ų | 114.3 | 73% | 0.729 | 64% | 0.637 | S | S | * | * | trans | -59.3 | 142.9 | 172.6 | -68.6 | -177.4 | 165.3 | 0 | 0 | 109.9 | G244 T245 | E242-G244 PolarHBondContact O-N 3.19Å; E242-T245 HydrophobicContact CB-CG2 4.19Å; E242-T245 PolarHBondContact N-OG1 2.73Å; E242-T245 VanDerWaalsContact N-OG1 3.16Å; E242-T245 PolarHBondContact O-N 3.47Å; E242-T245 PolarHBondContact O-OG1 2.97Å | ||
| 243 | A | 58.6 | Low | 65.8 | Low | 112 Ų | 112 | 119.5 Ų | 119.5 | 93% | 0.926 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | 115.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 244 | G | 61.7 | Low | 64.4 | Low | 86 Ų | 86 | 122.2 Ų | 122.2 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.6 | -1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | E242 | E242-G244 PolarHBondContact O-N 3.19Š|
| 245 | T | 62.8 | Low | 63.1 | Low | 92 Ų | 92 | 125.8 Ų | 125.8 | 56% | 0.564 | 71% | 0.707 | S | S | * | * | trans | -106.6 | -4.5 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | E242 | E242-T245 HydrophobicContact CB-CG2 4.19Å; E242-T245 PolarHBondContact N-OG1 2.73Å; E242-T245 VanDerWaalsContact N-OG1 3.16Å; E242-T245 PolarHBondContact O-N 3.47Å; E242-T245 PolarHBondContact O-OG1 2.97Å | ||
| 246 | G | 54.3 | Low | 61.6 | Low | 31 Ų | 31 | 125.3 Ų | 125.3 | 32% | 0.32 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -85.4 | 129.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H239 | H239-G246 WeakPolarHBondContact NE2-CA 3.49Š|
| 247 | T | 54.5 | Low | 60.2 | Low | 121 Ų | 121 | 124.9 Ų | 124.9 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 128.2 | 161.9 | 22.5 | 0 | 0 | 0 | 0 | 109.3 | V249 | T247-V249 PolarHBondContact O-N 3.41Å; T247-V249 VanDerWaalsContact O-N 3.15Å |
| 248 | P | 57.8 | Low | 58.8 | Low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 123.1 | 175.5 | -17 | 25.2 | 0 | 0 | 0 | 109.5 | K250 | P248-K250 PolarHBondContact O-N 2.91Š|
| 249 | V | 57.2 | Low | 57.7 | Low | 99 Ų | 99 | 123.3 Ų | 123.3 | 60% | 0.6 | 71% | 0.707 | S | S | * | * | trans | -72 | 100.7 | 168.7 | -174.6 | 0 | 0 | 0 | 0 | 105.9 | T247 G251 | T247-V249 PolarHBondContact O-N 3.41Å; T247-V249 VanDerWaalsContact O-N 3.15Å; V249-G251 VanDerWaalsContact C-N 3.34Å; V249-G251 PolarHBondContact O-N 3.39Å | ||
| 250 | K | 49.3 | Very low | 56.7 | Low | 196 Ų | 196 | 124.2 Ų | 124.2 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | -65.5 | 100.1 | 171.1 | -154.1 | -179.3 | -171.3 | -176.4 | 0 | 106.2 | P248 R252 | P248-K250 PolarHBondContact O-N 2.91Å; K250-R252 PolarHBondContact O-N 3.26Å; K250-R252 VanDerWaalsContact O-N 3.13Å | ||
| 251 | G | 49.4 | Very low | 56.1 | Low | 50 Ų | 50 | 114.3 Ų | 114.3 | 52% | 0.515 | 70% | 0.703 | S | S | . | * | trans | -51.6 | 122.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | V249 T253 | V249-G251 VanDerWaalsContact C-N 3.34Å; V249-G251 PolarHBondContact O-N 3.39Å; G251-T253 PolarHBondContact O-N 3.12Å | ||
| 252 | R | 48.4 | Very low | 55.4 | Low | 225 Ų | 225 | 120.6 Ų | 120.6 | 85% | 0.849 | 73% | 0.728 | S | S | * | * | trans | -76.5 | 118.2 | 161.6 | -81.8 | -174.3 | -173.8 | 166.2 | 2.3 | 105.7 | D233 K250 | D233-R252 VanDerWaalsContact O-O 3.1Å; K250-R252 PolarHBondContact O-N 3.26Å; K250-R252 VanDerWaalsContact O-N 3.13Å | ||
| 253 | T | 49 | Very low | 54.8 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 98% | 0.982 | 73% | 0.728 | S | S | * | * | trans | -75 | 0 | 153.8 | 10.4 | 0 | 0 | 0 | 0 | 109 | D233 G251 | D233-T253 WeakPolarHBondContact CB-OXT 3.4Å; D233-T253 WeakPolarHBondContact O-CA 3.29Å; G251-T253 PolarHBondContact O-N 3.12Å |
Retrieved 253 of 253 residues in 96 ms
(Link to these results)