| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.5 | Very low | 78.6 | Confident | 210 Ų | 210 | 128.6 Ų | 128.6 | 100% | 1.034 | 74% | 0.743 | S | S | * | * | 0 | 126.4 | 0 | -73.4 | 174.2 | 166.3 | 0 | 0 | 105.2 | D3 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 WeakPolarHBondContact CB-OD1 3.37Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-D3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | D | 49 | Very low | 79.4 | Confident | 162 Ų | 162 | 120.8 Ų | 120.8 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | trans | -80.6 | 83.8 | 175.6 | -55.9 | -67.7 | 0 | 0 | 0 | 106.9 | S4 | D2-S4 PolarHBondContact O-N 2.81Š| ||
| 3 | D | 70.4 | Confident | 80.1 | Confident | 142 Ų | 142 | 120.5 Ų | 120.5 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | -72.8 | 79.7 | -176.4 | -70.5 | -15.4 | 0 | 0 | 0 | 109.8 | M1 G5 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 WeakPolarHBondContact CB-OD1 3.37Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-D3 VanDerWaalsContact O-N 3.08Å; D3-G5 PolarHBondContact O-N 2.82Å | ||
| 4 | S | 79.3 | Confident | 80.6 | Confident | 107 Ų | 107 | 116.9 Ų | 116.9 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | trans | -66.1 | 97.2 | 174.9 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | D2 | D2-S4 PolarHBondContact O-N 2.81Š| ||
| 5 | G | 85.7 | Confident | 81.2 | Confident | 74 Ų | 74 | 109.9 Ų | 109.9 | 76% | 0.763 | 65% | 0.648 | S | S | * | * | trans | -80.8 | 129.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D3 | D3-G5 PolarHBondContact O-N 2.82Š| ||
| 6 | N | 85.6 | Confident | 81.6 | Confident | 162 Ų | 162 | 108.6 Ų | 108.6 | 87% | 0.866 | 63% | 0.633 | S | S | * | * | trans | -98.5 | 136.8 | 171.6 | -65.3 | -19.7 | 0 | 0 | 0 | 110 | ||||
| 7 | S | 87.3 | Confident | 82.1 | Confident | 124 Ų | 124 | 112.5 Ų | 112.5 | 87% | 0.867 | 64% | 0.644 | S | S | * | * | trans | -106.1 | 145.5 | 169.9 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 8 | L | 90.3 | Very high | 82.5 | Confident | 119 Ų | 119 | 108.1 Ų | 108.1 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | trans | -125.3 | 131.4 | 175.5 | -177.9 | 64.7 | 0 | 0 | 0 | 109.2 | M10 L33 | L8-M10 HydrophobicContact CD2-CE 3.75Å; L8-L33 HydrophobicContact CD1-CD2 4.38Å | ||
| 9 | L | 89.8 | Confident | 82.9 | Confident | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | trans | -110.9 | 117.8 | 177.2 | -178.4 | 62.1 | 0 | 0 | 0 | 108.6 | V11 M19 L23 | L9-V11 HydrophobicContact CD1-CG2 4.44Å; L9-V11 HydrophobicContact CD2-CG2 4.11Å; L9-V11 HydrophobicContact CG-CG2 3.7Å; L9-M19 HydrophobicContact CD1-SD 4.24Å; L9-M19 HydrophobicContact CD2-CG 4.47Å; L9-M19 HydrophobicContact CD2-SD 3.8Å; L9-M19 HydrophobicContact CG-SD 4.26Å; L9-L23 HydrophobicContact CD2-CD1 3.88Å | ||
| 10 | M | 89.6 | Confident | 83.3 | Confident | 162 Ų | 162 | 102.2 Ų | 102.2 | 80% | 0.798 | 59% | 0.586 | S | S | * | * | trans | -98.5 | 128 | 173.6 | -64.4 | -173.9 | -177 | 0 | 0 | 109.3 | L8 | L8-M10 HydrophobicContact CD2-CE 3.75Š| ||
| 11 | V | 89.3 | Confident | 83.6 | Confident | 55 Ų | 55 | 98.2 Ų | 98.2 | 33% | 0.333 | 57% | 0.568 | S | S | . | * | trans | -132.2 | 145.6 | -171.8 | -166.8 | 0 | 0 | 0 | 0 | 108.9 | L9 Q15 M19 | L9-V11 HydrophobicContact CD1-CG2 4.44Å; L9-V11 HydrophobicContact CD2-CG2 4.11Å; L9-V11 HydrophobicContact CG-CG2 3.7Å; V11-Q15 HydrophobicContact CG1-CB 3.34Å; V11-M19 HydrophobicContact CG1-CB 4.49Å; V11-M19 HydrophobicContact CG1-CE 4.03Å; V11-M19 HydrophobicContact CG1-SD 3.99Å; V11-M19 HydrophobicContact CG2-SD 3.66Å | ||
| 12 | S | 88 | Confident | 85.6 | Confident | 34 Ų | 34 | 91.1 Ų | 91.1 | 24% | 0.238 | 53% | 0.531 | C | S | . | . | trans | -75.3 | 153.5 | 170.5 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | S14 Q15 E16 | S12-S14 PolarHBondContact O-N 3.46Å; S12-S14 PolarHBondContact OG-OG 3.3Å; S12-Q15 PolarHBondContact O-N 3.32Å; S12-Q15 WeakPolarHBondContact OG-CB 3.12Å; S12-Q15 WeakPolarHBondContact OG-CG 3.46Å; S12-Q15 PolarHBondContact OG-N 3.46Å; S12-E16 PolarHBondContact O-N 3.08Å | ||
| 13 | P | 88.1 | Confident | 87.5 | Confident | 118 Ų | 118 | 85.1 Ų | 85.1 | 77% | 0.766 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.5 | 176.9 | -27.1 | 35.4 | 0 | 0 | 0 | 113.6 | Q15 | P13-Q15 VanDerWaalsContact C-N 3.35Š|
| 14 | S | 88 | Confident | 88.5 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18.9 | 175 | 50.5 | 0 | 0 | 0 | 0 | 115 | S12 | S12-S14 PolarHBondContact O-N 3.46Å; S12-S14 PolarHBondContact OG-OG 3.3Å |
| 15 | Q | 88.7 | Confident | 89.1 | Confident | 13 Ų | 13 | 87.6 Ų | 87.6 | 6% | 0.061 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -20.9 | -175.6 | -79.4 | 171.2 | 19.9 | 0 | 0 | 113.1 | V11 S12 P13 A18 M19 V80 | V11-Q15 HydrophobicContact CG1-CB 3.34Å; S12-Q15 PolarHBondContact O-N 3.32Å; S12-Q15 WeakPolarHBondContact OG-CB 3.12Å; S12-Q15 WeakPolarHBondContact OG-CG 3.46Å; S12-Q15 PolarHBondContact OG-N 3.46Å; P13-Q15 VanDerWaalsContact C-N 3.35Å; Q15-A18 PolarHBondContact O-N 2.94Å; Q15-M19 HydrophobicContact CB-CE 4.39Å; Q15-M19 VanDerWaalsContact O-CB 3.24Å; Q15-M19 WeakPolarHBondContact O-CB 2.76Å; Q15-M19 PolarHBondContact O-N 3Å; Q15-V80 HydrophobicContact CB-CG1 4.16Å; Q15-V80 HydrophobicContact CG-CG1 3.86Å; Q15-V80 WeakPolarHBondContact CG-O 3.33Å |
| 16 | E | 88.6 | Confident | 89.4 | Confident | 88 Ų | 88 | 91 Ų | 91 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -52.9 | -63.4 | -170.3 | -173.1 | 177.1 | 162.4 | 0 | 0 | 113.1 | S12 A18 M19 I20 | S12-E16 PolarHBondContact O-N 3.08Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 2.96Å; E16-M19 PolarHBondContact O-N 3.19Å; E16-I20 HydrophobicContact CG-CD1 3.71Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 3.14Å |
| 17 | E | 89.1 | Confident | 89.6 | Confident | 175 Ų | 175 | 88.2 Ų | 88.2 | 82% | 0.818 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -54.5 | -45.4 | -177.9 | -59.2 | -178.2 | 173.3 | 0 | 0 | 112.6 | M19 G21 | E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 2.96Å; E17-G21 PolarHBondContact O-N 3.5Å; E17-G21 VanDerWaalsContact O-N 3.07Å |
| 18 | A | 89.9 | Confident | 89.7 | Confident | 34 Ų | 34 | 86.5 Ų | 86.5 | 28% | 0.281 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.9 | -17.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q15 E16 K22 V80 | Q15-A18 PolarHBondContact O-N 2.94Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 2.96Å; A18-K22 WeakPolarHBondContact O-CG 3.42Å; A18-V80 HydrophobicContact CB-CG2 3.67Å |
| 19 | M | 90.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 86.8 Ų | 86.8 | 15% | 0.148 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -90.4 | -44.6 | 175.4 | -165.2 | 169.6 | -64 | 0 | 0 | 111.2 | L9 V11 Q15 E16 E17 G21 K22 L23 V80 | L9-M19 HydrophobicContact CD1-SD 4.24Å; L9-M19 HydrophobicContact CD2-CG 4.47Å; L9-M19 HydrophobicContact CD2-SD 3.8Å; L9-M19 HydrophobicContact CG-SD 4.26Å; V11-M19 HydrophobicContact CG1-CB 4.49Å; V11-M19 HydrophobicContact CG1-CE 4.03Å; V11-M19 HydrophobicContact CG1-SD 3.99Å; V11-M19 HydrophobicContact CG2-SD 3.66Å; Q15-M19 HydrophobicContact CB-CE 4.39Å; Q15-M19 VanDerWaalsContact O-CB 3.24Å; Q15-M19 WeakPolarHBondContact O-CB 2.76Å; Q15-M19 PolarHBondContact O-N 3Å; E16-M19 PolarHBondContact O-N 3.19Å; E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 2.96Å; M19-G21 PolarHBondContact O-N 3.33Å; M19-K22 PolarHBondContact O-N 2.94Å; M19-K22 VanDerWaalsContact O-N 3.11Å; M19-L23 HydrophobicContact CG-CD1 3.89Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.33Å; M19-L23 VanDerWaalsContact O-N 3.09Å; M19-V80 HydrophobicContact CE-CG1 3.57Å |
| 20 | I | 89.9 | Confident | 89.1 | Confident | 67 Ų | 67 | 86.5 Ų | 86.5 | 34% | 0.344 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.3 | -52.4 | 173.1 | -66.2 | 169.6 | 0 | 0 | 0 | 110 | E16 K22 L23 E24 | E16-I20 HydrophobicContact CG-CD1 3.71Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 3.14Å; I20-K22 PolarHBondContact O-N 2.99Å; I20-L23 PolarHBondContact O-N 3.01Å; I20-E24 HydrophobicContact CG2-CG 4.23Å; I20-E24 WeakPolarHBondContact O-CG 3.41Å; I20-E24 PolarHBondContact O-N 3.11Å |
| 21 | G | 90.1 | Very high | 89 | Confident | 20 Ų | 20 | 87.5 Ų | 87.5 | 21% | 0.206 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.8 | 2.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E17 M19 K25 | E17-G21 PolarHBondContact O-N 3.5Å; E17-G21 VanDerWaalsContact O-N 3.07Å; M19-G21 PolarHBondContact O-N 3.33Å; G21-K25 VanDerWaalsContact O-CD 3.28Å; G21-K25 WeakPolarHBondContact O-CD 3.43Å; G21-K25 WeakPolarHBondContact O-CE 3.24Å; G21-K25 PolarHBondContact O-NZ 3.15Å |
| 22 | K | 89.9 | Confident | 88.8 | Confident | 60 Ų | 60 | 91.3 Ų | 91.3 | 26% | 0.261 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -99.9 | -41.4 | 163.3 | -72.3 | 179.2 | -170.8 | -177.8 | 0 | 111.6 | A18 M19 I20 E24 K25 H26 D77 V80 | A18-K22 WeakPolarHBondContact O-CG 3.42Å; M19-K22 PolarHBondContact O-N 2.94Å; M19-K22 VanDerWaalsContact O-N 3.11Å; I20-K22 PolarHBondContact O-N 2.99Å; K22-E24 VanDerWaalsContact C-N 3.33Å; K22-K25 WeakPolarHBondContact O-CB 3.14Å; K22-K25 PolarHBondContact O-N 3.44Å; K22-K25 VanDerWaalsContact O-N 3.14Å; K22-H26 PolarHBondContact O-CD2 3.41Å; K22-H26 VanDerWaalsContact O-CD2 3.26Å; K22-H26 PolarHBondContact O-N 3.4Å; K22-D77 VanDerWaalsContact NZ-CB 3.32Å; K22-D77 VanDerWaalsContact NZ-CG 3.27Å; K22-D77 IonicContact NZ-OD2 3.88Å; K22-D77 PolarHBondContact NZ-OD2 3.22Å; K22-V80 HydrophobicContact CD-CG2 4.47Å |
| 23 | L | 90.3 | Very high | 88.8 | Confident | 37 Ų | 37 | 95.8 Ų | 95.8 | 19% | 0.194 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -68.1 | -35.7 | -177.8 | -67.8 | 160.8 | 0 | 0 | 0 | 111.1 | L9 M19 I20 K25 H26 S27 I28 I30 | L9-L23 HydrophobicContact CD2-CD1 3.88Å; M19-L23 HydrophobicContact CG-CD1 3.89Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.33Å; M19-L23 VanDerWaalsContact O-N 3.09Å; I20-L23 PolarHBondContact O-N 3.01Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 3.14Å; L23-H26 CarbonylContact O-C 3.41Å; L23-H26 PolarHBondContact O-N 3.37Å; L23-H26 VanDerWaalsContact O-N 3.15Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 VanDerWaalsContact O-N 3.11Å; L23-I28 HydrophobicContact CB-CB 4.42Å; L23-I28 HydrophobicContact CD2-CB 4.46Å; L23-I28 HydrophobicContact CD2-CD1 3.82Å; L23-I28 PolarHBondContact O-N 3.22Å; L23-I30 HydrophobicContact CB-CD1 3.55Å; L23-I30 HydrophobicContact CD1-CD1 3.31Å; L23-I30 HydrophobicContact CG-CD1 3.92Å |
| 24 | E | 90.3 | Very high | 88.7 | Confident | 134 Ų | 134 | 97.2 Ų | 97.2 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -58.5 | -41.1 | 168.1 | -69.7 | 177.9 | 161.8 | 0 | 0 | 113 | I20 K22 H26 S27 | I20-E24 HydrophobicContact CG2-CG 4.23Å; I20-E24 WeakPolarHBondContact O-CG 3.41Å; I20-E24 PolarHBondContact O-N 3.11Å; K22-E24 VanDerWaalsContact C-N 3.33Å; E24-H26 PolarHBondContact O-N 3.25Å; E24-S27 PolarHBondContact O-N 3.06Å |
| 25 | K | 92.9 | Very high | 88.6 | Confident | 166 Ų | 166 | 99.8 Ų | 99.8 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -68.2 | -23.4 | 177.8 | -67.3 | 172.4 | -176.1 | 139.5 | 0 | 113.1 | G21 K22 L23 | G21-K25 VanDerWaalsContact O-CD 3.28Å; G21-K25 WeakPolarHBondContact O-CD 3.43Å; G21-K25 WeakPolarHBondContact O-CE 3.24Å; G21-K25 PolarHBondContact O-NZ 3.15Å; K22-K25 WeakPolarHBondContact O-CB 3.14Å; K22-K25 PolarHBondContact O-N 3.44Å; K22-K25 VanDerWaalsContact O-N 3.14Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 3.14Å |
| 26 | H | 92.3 | Very high | 88.6 | Confident | 145 Ų | 145 | 106.1 Ų | 106.1 | 67% | 0.671 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -96.5 | 9.7 | 173.2 | -69.9 | -66.4 | 0 | 0 | 0 | 112.5 | K22 L23 E24 I28 | K22-H26 PolarHBondContact O-CD2 3.41Å; K22-H26 VanDerWaalsContact O-CD2 3.26Å; K22-H26 PolarHBondContact O-N 3.4Å; L23-H26 CarbonylContact O-C 3.41Å; L23-H26 PolarHBondContact O-N 3.37Å; L23-H26 VanDerWaalsContact O-N 3.15Å; E24-H26 PolarHBondContact O-N 3.25Å; H26-I28 VanDerWaalsContact C-N 3.28Å; H26-I28 HydrophobicContact CB-CD1 4.35Å; H26-I28 HydrophobicContact CB-CG1 4.44Å; H26-I28 PolarHBondContact O-N 2.98Å |
| 27 | S | 88.5 | Confident | 88.4 | Confident | 105 Ų | 105 | 106.7 Ų | 106.7 | 73% | 0.734 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 35.4 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 114.4 | L23 E24 P29 | L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 VanDerWaalsContact O-N 3.11Å; E24-S27 PolarHBondContact O-N 3.06Å; S27-P29 WeakPolarHBondContact O-CD 3.28Å |
| 28 | I | 89.3 | Confident | 88.2 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 45% | 0.446 | 55% | 0.55 | S | S | . | * | trans | -95.2 | 112.2 | 175.3 | -61.2 | 173.2 | 0 | 0 | 0 | 108.4 | L23 H26 I30 | L23-I28 HydrophobicContact CB-CB 4.42Å; L23-I28 HydrophobicContact CD2-CB 4.46Å; L23-I28 HydrophobicContact CD2-CD1 3.82Å; L23-I28 PolarHBondContact O-N 3.22Å; H26-I28 VanDerWaalsContact C-N 3.28Å; H26-I28 HydrophobicContact CB-CD1 4.35Å; H26-I28 HydrophobicContact CB-CG1 4.44Å; H26-I28 PolarHBondContact O-N 2.98Å; I28-I30 HydrophobicContact CG2-CG1 4.32Å | ||
| 29 | P | 82.1 | Confident | 88 | Confident | 125 Ų | 125 | 108.4 Ų | 108.4 | 81% | 0.812 | 57% | 0.568 | S | S | * | * | trans | -71.9 | 139.7 | 174.8 | 30.6 | -33.8 | 0 | 0 | 0 | 110.4 | S27 | S27-P29 WeakPolarHBondContact O-CD 3.28Š| ||
| 30 | I | 85.8 | Confident | 87.8 | Confident | 92 Ų | 92 | 114.1 Ų | 114.1 | 47% | 0.472 | 60% | 0.596 | S | S | . | * | trans | -135.6 | 138 | -178 | -59.2 | 172.5 | 0 | 0 | 0 | 108.6 | L23 I28 | L23-I30 HydrophobicContact CB-CD1 3.55Å; L23-I30 HydrophobicContact CD1-CD1 3.31Å; L23-I30 HydrophobicContact CG-CD1 3.92Å; I28-I30 HydrophobicContact CG2-CG1 4.32Å | ||
| 31 | E | 86.9 | Confident | 87.7 | Confident | 184 Ų | 184 | 114.9 Ų | 114.9 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | trans | -109.4 | 132.9 | 175.2 | -61.8 | -176.7 | 171.3 | 0 | 0 | 109.8 | L33 | E31-L33 PolarHBondContact O-N 3.07Š| ||
| 32 | E | 86.4 | Confident | 87.6 | Confident | 135 Ų | 135 | 118.6 Ų | 118.6 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | trans | -77.4 | 107.3 | 177.7 | -167.6 | -153.2 | 160.3 | 0 | 0 | 110.1 | K34 | E32-K34 PolarHBondContact O-N 3.43Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.32Å; E32-K34 PolarHBondContact OE1-NZ 3.09Å; E32-K34 WeakPolarHBondContact OE2-CE 3.47Å; E32-K34 IonicContact OE2-NZ 2.82Å; E32-K34 PolarHBondContact OE2-NZ 3.11Å | ||
| 33 | L | 86.8 | Confident | 87.7 | Confident | 128 Ų | 128 | 119.2 Ų | 119.2 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | trans | -86.7 | 108.6 | 179.1 | -176.3 | 65.3 | 0 | 0 | 0 | 111.9 | L8 E31 I35 | L8-L33 HydrophobicContact CD1-CD2 4.38Å; E31-L33 PolarHBondContact O-N 3.07Å; L33-I35 PolarHBondContact O-N 2.88Å | ||
| 34 | K | 86.3 | Confident | 87.7 | Confident | 148 Ų | 148 | 122.6 Ų | 122.6 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | trans | -84.6 | 110.6 | 175.1 | -70.1 | 177 | 178.8 | 155.6 | 0 | 110.9 | E32 | E32-K34 PolarHBondContact O-N 3.43Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.32Å; E32-K34 PolarHBondContact OE1-NZ 3.09Å; E32-K34 WeakPolarHBondContact OE2-CE 3.47Å; E32-K34 IonicContact OE2-NZ 2.82Å; E32-K34 PolarHBondContact OE2-NZ 3.11Å | ||
| 35 | I | 86.9 | Confident | 87.8 | Confident | 123 Ų | 123 | 121 Ų | 121 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | trans | -77 | 129 | 178.9 | -55.6 | 175.1 | 0 | 0 | 0 | 109.6 | L33 | L33-I35 PolarHBondContact O-N 2.88Š| ||
| 36 | H | 87.7 | Confident | 87.8 | Confident | 145 Ų | 145 | 119.5 Ų | 119.5 | 67% | 0.671 | 63% | 0.634 | S | S | * | * | trans | -70.6 | 137.5 | 174.5 | -68.2 | -72.3 | 0 | 0 | 0 | 111.4 | D38 A39 | H36-D38 VanDerWaalsContact C-N 3.27Å; H36-D38 PolarHBondContact O-N 3.26Å; H36-A39 PolarHBondContact O-N 2.91Å; H36-A39 VanDerWaalsContact O-N 3.14Å | ||
| 37 | P | 84.5 | Confident | 87.8 | Confident | 100 Ų | 100 | 115.5 Ų | 115.5 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -62.9 | -32 | -175.2 | 25.6 | -34.8 | 0 | 0 | 0 | 113 | A39 M40 | P37-A39 PolarHBondContact O-N 2.87Å; P37-M40 WeakPolarHBondContact O-CB 3.14Å; P37-M40 PolarHBondContact O-N 3.06Å |
| 38 | D | 86.1 | Confident | 88.1 | Confident | 166 Ų | 166 | 115.3 Ų | 115.3 | 89% | 0.888 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -66.7 | -18.1 | -179.8 | -55.1 | -30.1 | 0 | 0 | 0 | 113.3 | H36 | H36-D38 VanDerWaalsContact C-N 3.27Å; H36-D38 PolarHBondContact O-N 3.26Å |
| 39 | A | 85.1 | Confident | 88.3 | Confident | 79 Ų | 79 | 114 Ų | 114 | 65% | 0.653 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -89.6 | -6.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H36 P37 S41 | H36-A39 PolarHBondContact O-N 2.91Å; H36-A39 VanDerWaalsContact O-N 3.14Å; P37-A39 PolarHBondContact O-N 2.87Å; A39-S41 PolarHBondContact O-N 3.47Å |
| 40 | M | 86 | Confident | 88.9 | Confident | 150 Ų | 150 | 111.9 Ų | 111.9 | 74% | 0.739 | 58% | 0.584 | S | S | * | * | trans | -84.2 | 106.5 | -179 | -176.1 | 176.1 | -88.6 | 0 | 0 | 110.9 | P37 | P37-M40 WeakPolarHBondContact O-CB 3.14Å; P37-M40 PolarHBondContact O-N 3.06Å | ||
| 41 | S | 87 | Confident | 89.2 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | trans | -99.2 | 133.5 | 172 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | A39 V43 | A39-S41 PolarHBondContact O-N 3.47Å; S41-V43 PolarHBondContact O-N 2.85Å | ||
| 42 | D | 88 | Confident | 89.4 | Confident | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | trans | -74.7 | 120.7 | 172.5 | -173.3 | 12.2 | 0 | 0 | 0 | 111 | R44 | D42-R44 VanDerWaalsContact OD1-CB 3.26Å; D42-R44 WeakPolarHBondContact OD1-CB 3.22Å; D42-R44 WeakPolarHBondContact OD1-CD 3.4Å; D42-R44 WeakPolarHBondContact OD1-CG 3.14Å; D42-R44 PolarHBondContact OD1-N 2.94Å; D42-R44 IonicContact OD1-NE 3.94Å | ||
| 43 | V | 91.8 | Very high | 89.8 | Confident | 72 Ų | 72 | 105.8 Ų | 105.8 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | trans | -96.8 | -14.6 | -179.5 | -163.3 | 0 | 0 | 0 | 0 | 111.4 | S41 V45 K46 L47 | S41-V43 PolarHBondContact O-N 2.85Å; V43-V45 VanDerWaalsContact C-N 3.3Å; V43-V45 PolarHBondContact O-N 3.22Å; V43-K46 WeakPolarHBondContact O-CB 3.38Å; V43-K46 PolarHBondContact O-N 3.42Å; V43-L47 HydrophobicContact CG1-CD1 4.42Å; V43-L47 HydrophobicContact CG1-CG 4.2Å; V43-L47 PolarHBondContact O-N 3.14Å | ||
| 44 | R | 91.6 | Very high | 90.1 | Very high | 109 Ų | 109 | 101.2 Ų | 101.2 | 41% | 0.411 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.3 | -40 | -173.9 | -63.8 | 170.4 | -164.3 | -151.3 | 4.9 | 112.7 | D42 K46 L47 R48 | D42-R44 VanDerWaalsContact OD1-CB 3.26Å; D42-R44 WeakPolarHBondContact OD1-CB 3.22Å; D42-R44 WeakPolarHBondContact OD1-CD 3.4Å; D42-R44 WeakPolarHBondContact OD1-CG 3.14Å; D42-R44 PolarHBondContact OD1-N 2.94Å; D42-R44 IonicContact OD1-NE 3.94Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.66Å; R44-L47 PolarHBondContact O-N 2.98Å; R44-R48 WeakPolarHBondContact O-CB 3.11Å; R44-R48 VanDerWaalsContact O-CG 3.28Å; R44-R48 WeakPolarHBondContact O-CG 3.28Å; R44-R48 PolarHBondContact O-N 3.18Å |
| 45 | V | 92.1 | Very high | 90.4 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 61% | 0.606 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | V43 A49 | V43-V45 VanDerWaalsContact C-N 3.3Å; V43-V45 PolarHBondContact O-N 3.22Å; V45-A49 PolarHBondContact O-N 2.9Å |
| 46 | K | 92.9 | Very high | 90.8 | Very high | 135 Ų | 135 | 98.4 Ų | 98.4 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.4 | -43.5 | 177.9 | -62.1 | 176.5 | -178 | 172.7 | 0 | 111.1 | V43 R44 A49 I50 | V43-K46 WeakPolarHBondContact O-CB 3.38Å; V43-K46 PolarHBondContact O-N 3.42Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.66Å; K46-A49 PolarHBondContact O-N 3.48Å; K46-I50 WeakPolarHBondContact O-CG1 3.5Å; K46-I50 PolarHBondContact O-N 3.45Å |
| 47 | L | 92.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 95.1 Ų | 95.1 | 31% | 0.314 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.5 | -67.5 | 173.3 | 0 | 0 | 0 | 111.6 | V43 R44 A49 I50 L51 S94 | V43-L47 HydrophobicContact CG1-CD1 4.42Å; V43-L47 HydrophobicContact CG1-CG 4.2Å; V43-L47 PolarHBondContact O-N 3.14Å; R44-L47 PolarHBondContact O-N 2.98Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.24Å; L47-I50 PolarHBondContact O-N 3.37Å; L47-I50 VanDerWaalsContact O-N 3.15Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 WeakPolarHBondContact O-CG 3.27Å; L47-L51 PolarHBondContact O-N 3.09Å; L47-S94 WeakPolarHBondContact CD1-O 3.43Å |
| 48 | R | 93.9 | Very high | 91.4 | Very high | 101 Ų | 101 | 94.1 Ų | 94.1 | 38% | 0.381 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.7 | -38.4 | 175.6 | -77.4 | 167.6 | 178.1 | 174.8 | -1.8 | 112.6 | R44 A52 D93 G96 | R44-R48 WeakPolarHBondContact O-CB 3.11Å; R44-R48 VanDerWaalsContact O-CG 3.28Å; R44-R48 WeakPolarHBondContact O-CG 3.28Å; R44-R48 PolarHBondContact O-N 3.18Å; R48-A52 WeakPolarHBondContact O-CB 3.35Å; R48-A52 PolarHBondContact O-N 2.99Å; R48-A52 VanDerWaalsContact O-N 3.13Å; R48-D93 IonicContact CZ-OD1 2.66Å; R48-D93 IonicContact NH2-OD1 3.86Å; R48-D93 PolarHBondContact NH2-OD1 3.05Å; R48-G96 WeakPolarHBondContact CG-O 3.36Å |
| 49 | A | 93.6 | Very high | 91.8 | Very high | 61 Ų | 61 | 88.6 Ų | 88.6 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.3 | -48.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V45 K46 L47 L51 A52 E53 | V45-A49 PolarHBondContact O-N 2.9Å; K46-A49 PolarHBondContact O-N 3.48Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.24Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.06Å; A49-A52 WeakPolarHBondContact O-CB 3.47Å; A49-A52 PolarHBondContact O-N 3.11Å; A49-A52 VanDerWaalsContact O-N 3.11Å; A49-E53 PolarHBondContact O-N 3.5Å; A49-E53 VanDerWaalsContact O-N 3.08Å |
| 50 | I | 93.6 | Very high | 92.2 | Very high | 79 Ų | 79 | 91.7 Ų | 91.7 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 178.9 | -66.5 | 163.2 | 0 | 0 | 0 | 111.7 | K46 L47 A52 E53 S54 L57 | K46-I50 WeakPolarHBondContact O-CG1 3.5Å; K46-I50 PolarHBondContact O-N 3.45Å; L47-I50 PolarHBondContact O-N 3.37Å; L47-I50 VanDerWaalsContact O-N 3.15Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 3.27Å; I50-E53 PolarHBondContact O-N 3Å; I50-S54 PolarHBondContact O-N 3.37Å; I50-L57 HydrophobicContact CG2-CD1 3.48Å; I50-L57 VanDerWaalsContact CG2-CD1 3.48Å |
| 51 | L | 92.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -74.5 | -17.8 | 177.1 | -64.1 | -170.9 | 0 | 0 | 0 | 113.9 | L47 A49 L57 A61 F95 L97 | L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 WeakPolarHBondContact O-CG 3.27Å; L47-L51 PolarHBondContact O-N 3.09Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.06Å; L51-L57 HydrophobicContact CD2-CB 3.78Å; L51-A61 HydrophobicContact CD1-CB 4.11Å; L51-A61 HydrophobicContact CD2-CB 4.23Å; L51-F95 VanDerWaalsContact CD1-O 3.27Å; L51-F95 WeakPolarHBondContact CD1-O 3.49Å; L51-L97 HydrophobicContact CD1-CD2 4Å; L51-L97 HydrophobicContact CD1-CG 4.2Å |
| 52 | A | 92.3 | Very high | 92.8 | Very high | 89 Ų | 89 | 82.8 Ų | 82.8 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -82.8 | -28.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | R48 A49 I50 | R48-A52 WeakPolarHBondContact O-CB 3.35Å; R48-A52 PolarHBondContact O-N 2.99Å; R48-A52 VanDerWaalsContact O-N 3.13Å; A49-A52 WeakPolarHBondContact O-CB 3.47Å; A49-A52 PolarHBondContact O-N 3.11Å; A49-A52 VanDerWaalsContact O-N 3.11Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 3.27Å |
| 53 | E | 94.8 | Very high | 93 | Very high | 172 Ų | 172 | 82.1 Ų | 82.1 | 80% | 0.804 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -75.1 | -41.8 | 176.9 | -174.1 | 173.3 | -165.8 | 0 | 0 | 112.4 | A49 I50 | A49-E53 PolarHBondContact O-N 3.5Å; A49-E53 VanDerWaalsContact O-N 3.08Å; I50-E53 PolarHBondContact O-N 3Å |
| 54 | S | 93.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 80.7 Ų | 80.7 | 23% | 0.231 | 41% | 0.406 | C | S | . | . | trans | -121.8 | 118.2 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 113.8 | I50 E56 L57 K58 | I50-S54 PolarHBondContact O-N 3.37Å; S54-E56 VanDerWaalsContact C-N 3.28Å; S54-E56 PolarHBondContact O-N 3Å; S54-E56 PolarHBondContact OG-N 2.66Å; S54-L57 PolarHBondContact O-N 3.19Å; S54-L57 PolarHBondContact OG-N 3.05Å; S54-K58 PolarHBondContact O-N 3.39Å | ||
| 55 | Q | 92.5 | Very high | 93.1 | Very high | 77 Ų | 77 | 75.5 Ų | 75.5 | 36% | 0.36 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -28.7 | 172.3 | 176 | 60.5 | 34.4 | 0 | 0 | 112.3 | K58 E59 | Q55-K58 WeakPolarHBondContact O-CB 3.45Å; Q55-K58 PolarHBondContact O-N 3.46Å; Q55-E59 PolarHBondContact O-N 2.85Å |
| 56 | E | 94.9 | Very high | 93.1 | Very high | 134 Ų | 134 | 71.5 Ų | 71.5 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.5 | -45.8 | 176 | -62 | 180 | 172.1 | 0 | 0 | 111.1 | S54 K58 E59 Y60 | S54-E56 VanDerWaalsContact C-N 3.28Å; S54-E56 PolarHBondContact O-N 3Å; S54-E56 PolarHBondContact OG-N 2.66Å; E56-K58 VanDerWaalsContact C-N 3.25Å; E56-K58 PolarHBondContact O-N 2.66Å; E56-E59 WeakPolarHBondContact O-CB 3.31Å; E56-E59 PolarHBondContact O-N 2.98Å; E56-E59 VanDerWaalsContact O-N 3.12Å; E56-Y60 HydrophobicContact CB-CE2 4.25Å; E56-Y60 WeakPolarHBondContact O-CD2 3.2Å; E56-Y60 PolarHBondContact O-N 2.88Å |
| 57 | L | 92.7 | Very high | 93.1 | Very high | 76 Ų | 76 | 67.6 Ų | 67.6 | 40% | 0.398 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 176.3 | -64.3 | -179 | 0 | 0 | 0 | 111.6 | I50 L51 S54 Y60 A61 | I50-L57 HydrophobicContact CG2-CD1 3.48Å; I50-L57 VanDerWaalsContact CG2-CD1 3.48Å; L51-L57 HydrophobicContact CD2-CB 3.78Å; S54-L57 PolarHBondContact O-N 3.19Å; S54-L57 PolarHBondContact OG-N 3.05Å; L57-Y60 HydrophobicContact CD2-CD2 4.44Å; L57-Y60 PolarHBondContact O-N 3Å; L57-A61 WeakPolarHBondContact O-CB 3.27Å; L57-A61 PolarHBondContact O-N 3.06Å |
| 58 | K | 92.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 174.2 | -177.8 | 179.7 | 169.2 | -168.4 | 0 | 112.5 | S54 Q55 E56 A61 Q62 L97 | S54-K58 PolarHBondContact O-N 3.39Å; Q55-K58 WeakPolarHBondContact O-CB 3.45Å; Q55-K58 PolarHBondContact O-N 3.46Å; E56-K58 VanDerWaalsContact C-N 3.25Å; E56-K58 PolarHBondContact O-N 2.66Å; K58-A61 PolarHBondContact O-N 3.09Å; K58-Q62 WeakPolarHBondContact O-CG 3.48Å; K58-Q62 PolarHBondContact O-N 3.09Å; K58-L97 HydrophobicContact CG-CD2 3.92Å |
| 59 | E | 92.9 | Very high | 92.9 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 172.4 | -74.1 | -172.6 | -154.5 | 0 | 0 | 112.7 | Q55 E56 A61 Q62 K63 | Q55-E59 PolarHBondContact O-N 2.85Å; E56-E59 WeakPolarHBondContact O-CB 3.31Å; E56-E59 PolarHBondContact O-N 2.98Å; E56-E59 VanDerWaalsContact O-N 3.12Å; E59-A61 VanDerWaalsContact C-N 3.34Å; E59-Q62 PolarHBondContact O-N 3.39Å; E59-K63 WeakPolarHBondContact O-CB 3.41Å; E59-K63 WeakPolarHBondContact O-CD 3.39Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.37Å; E59-K63 IonicContact OE2-NZ 3.2Å; E59-K63 PolarHBondContact OE2-NZ 2.95Å |
| 60 | Y | 94 | Very high | 92.7 | Very high | 144 Ų | 144 | 65.9 Ų | 65.9 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 175.2 | -67.8 | -53.4 | 0 | 0 | 0 | 111.9 | E56 L57 Q62 K63 S64 | E56-Y60 HydrophobicContact CB-CE2 4.25Å; E56-Y60 WeakPolarHBondContact O-CD2 3.2Å; E56-Y60 PolarHBondContact O-N 2.88Å; L57-Y60 HydrophobicContact CD2-CD2 4.44Å; L57-Y60 PolarHBondContact O-N 3Å; Y60-Q62 VanDerWaalsContact C-N 3.35Å; Y60-Q62 PolarHBondContact O-N 3.15Å; Y60-K63 PolarHBondContact O-N 3.23Å; Y60-S64 WeakPolarHBondContact O-CB 3.45Å; Y60-S64 PolarHBondContact O-N 3.27Å; Y60-S64 PolarHBondContact O-OG 3.11Å |
| 61 | A | 93.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 65.4 Ų | 65.4 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -35.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L51 L57 K58 E59 S64 I65 L97 | L51-A61 HydrophobicContact CD1-CB 4.11Å; L51-A61 HydrophobicContact CD2-CB 4.23Å; L57-A61 WeakPolarHBondContact O-CB 3.27Å; L57-A61 PolarHBondContact O-N 3.06Å; K58-A61 PolarHBondContact O-N 3.09Å; E59-A61 VanDerWaalsContact C-N 3.34Å; A61-S64 WeakPolarHBondContact CA-OG 3.43Å; A61-S64 PolarHBondContact O-OG 3.29Å; A61-I65 WeakPolarHBondContact O-CG1 3.34Å; A61-I65 PolarHBondContact O-N 3.13Å; A61-L97 HydrophobicContact CB-CD1 4.14Å; A61-L97 HydrophobicContact CB-CD2 4.34Å; A61-L97 HydrophobicContact CB-CG 4.28Å |
| 62 | Q | 92.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 64.8 Ų | 64.8 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 172.9 | -71.6 | 176.1 | -6.2 | 0 | 0 | 111.4 | K58 E59 Y60 V66 L97 P101 | K58-Q62 WeakPolarHBondContact O-CG 3.48Å; K58-Q62 PolarHBondContact O-N 3.09Å; E59-Q62 PolarHBondContact O-N 3.39Å; Y60-Q62 VanDerWaalsContact C-N 3.35Å; Y60-Q62 PolarHBondContact O-N 3.15Å; Q62-V66 WeakPolarHBondContact O-CG2 3.33Å; Q62-V66 PolarHBondContact O-N 3.06Å; Q62-L97 HydrophobicContact CG-CD1 3.92Å; Q62-L97 HydrophobicContact CG-CD2 4.15Å; Q62-P101 HydrophobicContact CB-CB 4.14Å; Q62-P101 HydrophobicContact CG-CB 4.2Å |
| 63 | K | 92.5 | Very high | 92.4 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 37% | 0.365 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 177.5 | -70.7 | 161.7 | -171.3 | 159.3 | 0 | 111.6 | E59 Y60 V66 A67 I137 | E59-K63 WeakPolarHBondContact O-CB 3.41Å; E59-K63 WeakPolarHBondContact O-CD 3.39Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.37Å; E59-K63 IonicContact OE2-NZ 3.2Å; E59-K63 PolarHBondContact OE2-NZ 2.95Å; Y60-K63 PolarHBondContact O-N 3.23Å; K63-V66 PolarHBondContact O-N 3.4Å; K63-A67 WeakPolarHBondContact O-CB 3.45Å; K63-A67 PolarHBondContact O-N 2.87Å; K63-I137 HydrophobicContact CG-CD1 3.84Å |
| 64 | S | 93.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 179.9 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | Y60 A61 A67 Y68 F95 | Y60-S64 WeakPolarHBondContact O-CB 3.45Å; Y60-S64 PolarHBondContact O-N 3.27Å; Y60-S64 PolarHBondContact O-OG 3.11Å; A61-S64 WeakPolarHBondContact CA-OG 3.43Å; A61-S64 PolarHBondContact O-OG 3.29Å; S64-A67 PolarHBondContact O-N 3.15Å; S64-Y68 WeakPolarHBondContact O-CB 3.42Å; S64-Y68 PolarHBondContact O-N 3.08Å; S64-F95 WeakPolarHBondContact OG-CE1 3.14Å |
| 65 | I | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 174.8 | -69.8 | 173.2 | 0 | 0 | 0 | 111 | A61 A67 Y68 L69 L91 A92 F95 L97 P101 | A61-I65 WeakPolarHBondContact O-CG1 3.34Å; A61-I65 PolarHBondContact O-N 3.13Å; I65-A67 VanDerWaalsContact C-N 3.32Å; I65-A67 PolarHBondContact O-N 3.17Å; I65-Y68 PolarHBondContact O-N 3.36Å; I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 3.02Å; I65-L91 HydrophobicContact CG2-CD2 4.12Å; I65-A92 HydrophobicContact CD1-CB 4.12Å; I65-F95 HydrophobicContact CD1-CB 4.1Å; I65-F95 HydrophobicContact CD1-CD2 3.89Å; I65-F95 HydrophobicContact CD1-CG 4.08Å; I65-F95 HydrophobicContact CG1-CD2 3.63Å; I65-F95 HydrophobicContact CG1-CE2 3.88Å; I65-F95 HydrophobicContact CG1-CG 4.04Å; I65-F95 HydrophobicContact CG1-CZ 4.49Å; I65-L97 HydrophobicContact CD1-CD1 3.62Å; I65-P101 HydrophobicContact CB-CG 3.97Å; I65-P101 HydrophobicContact CD1-CG 4.2Å; I65-P101 HydrophobicContact CG2-CG 3.76Å |
| 66 | V | 91.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 70 Ų | 70 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | Q62 K63 R70 P101 V103 F105 | Q62-V66 WeakPolarHBondContact O-CG2 3.33Å; Q62-V66 PolarHBondContact O-N 3.06Å; K63-V66 PolarHBondContact O-N 3.4Å; V66-R70 WeakPolarHBondContact O-CB 3.46Å; V66-R70 PolarHBondContact O-N 3.37Å; V66-P101 HydrophobicContact CG2-CB 4.34Å; V66-P101 HydrophobicContact CG2-CG 4.46Å; V66-V103 HydrophobicContact CG2-CG2 4.47Å; V66-F105 HydrophobicContact CG1-CE1 4.27Å |
| 67 | A | 92.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K63 S64 I65 R70 S71 | K63-A67 WeakPolarHBondContact O-CB 3.45Å; K63-A67 PolarHBondContact O-N 2.87Å; S64-A67 PolarHBondContact O-N 3.15Å; I65-A67 VanDerWaalsContact C-N 3.32Å; I65-A67 PolarHBondContact O-N 3.17Å; A67-R70 PolarHBondContact O-N 2.94Å; A67-S71 WeakPolarHBondContact O-CB 3.35Å; A67-S71 PolarHBondContact O-N 3.34Å |
| 68 | Y | 92.4 | Very high | 91.4 | Very high | 102 Ų | 102 | 71.1 Ų | 71.1 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -52.2 | 176.7 | 176.6 | -103.6 | 0 | 0 | 0 | 111.6 | S64 I65 R70 S71 I72 L91 | S64-Y68 WeakPolarHBondContact O-CB 3.42Å; S64-Y68 PolarHBondContact O-N 3.08Å; I65-Y68 PolarHBondContact O-N 3.36Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 2.85Å; Y68-S71 WeakPolarHBondContact O-CB 3.43Å; Y68-S71 PolarHBondContact O-N 2.86Å; Y68-S71 VanDerWaalsContact O-N 3.11Å; Y68-I72 HydrophobicContact CD1-CD1 4.11Å; Y68-I72 HydrophobicContact CE1-CD1 3.5Å; Y68-I72 HydrophobicContact CE2-CD1 4Å; Y68-I72 VanDerWaalsContact CZ-CD1 3.46Å; Y68-I72 PolarHBondContact O-N 2.96Å; Y68-L91 HydrophobicContact CD1-CD2 3.77Å; Y68-L91 HydrophobicContact CE1-CD1 4.4Å; Y68-L91 HydrophobicContact CE1-CD2 4.06Å |
| 69 | L | 91.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 177.6 | -66.1 | 171.1 | 0 | 0 | 0 | 111.7 | I65 Y73 V83 I86 L91 V103 F105 | I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 3.02Å; L69-Y73 VanDerWaalsContact O-CB 3.32Å; L69-Y73 WeakPolarHBondContact O-CB 3.43Å; L69-Y73 PolarHBondContact O-N 3.32Å; L69-V83 HydrophobicContact CD2-CG1 4.19Å; L69-I86 HydrophobicContact CD2-CG2 4.27Å; L69-L91 HydrophobicContact CD2-CD2 4.25Å; L69-L91 HydrophobicContact CG-CD2 4.35Å; L69-V103 HydrophobicContact CD1-CG2 3.81Å; L69-F105 HydrophobicContact CB-CZ 3.98Å |
| 70 | R | 89.4 | Confident | 90.9 | Very high | 81 Ų | 81 | 74.3 Ų | 74.3 | 31% | 0.306 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.4 | 177.7 | 176.1 | -70.9 | 141.6 | 1.2 | 112 | V66 A67 Y68 Y73 T74 F105 E139 | V66-R70 WeakPolarHBondContact O-CB 3.46Å; V66-R70 PolarHBondContact O-N 3.37Å; A67-R70 PolarHBondContact O-N 2.94Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 2.85Å; R70-Y73 PolarHBondContact O-N 3.11Å; R70-T74 WeakPolarHBondContact O-CB 3.49Å; R70-T74 PolarHBondContact O-N 2.99Å; R70-T74 PolarHBondContact O-OG1 3.39Å; R70-F105 HydrophobicContact CB-CE1 3.77Å; R70-F105 HydrophobicContact CB-CZ 3.89Å; R70-F105 HydrophobicContact CG-CE1 4.49Å; R70-E139 IonicContact CZ-OE1 3.2Å; R70-E139 IonicContact CZ-OE2 2.75Å; R70-E139 IonicContact NH1-OE1 2.57Å; R70-E139 PolarHBondContact NH1-OE1 3.36Å; R70-E139 IonicContact NH2-OE1 2.71Å; R70-E139 PolarHBondContact NH2-OE1 3.34Å; R70-E139 IonicContact NH2-OE2 2.77Å; R70-E139 PolarHBondContact NH2-OE2 2.94Å |
| 71 | S | 91.1 | Very high | 90.7 | Very high | 69 Ų | 69 | 69.6 Ų | 69.6 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -53.2 | 175.5 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | A67 Y68 Y73 T74 M75 | A67-S71 WeakPolarHBondContact O-CB 3.35Å; A67-S71 PolarHBondContact O-N 3.34Å; Y68-S71 WeakPolarHBondContact O-CB 3.43Å; Y68-S71 PolarHBondContact O-N 2.86Å; Y68-S71 VanDerWaalsContact O-N 3.11Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 3.45Å; S71-T74 WeakPolarHBondContact O-CA 3.4Å; S71-T74 WeakPolarHBondContact O-CB 3.32Å; S71-T74 PolarHBondContact O-N 3.06Å; S71-M75 WeakPolarHBondContact O-CG 3.37Å; S71-M75 PolarHBondContact O-N 3.05Å |
| 72 | I | 90.9 | Very high | 90.5 | Very high | 9 Ų | 9 | 72 Ų | 72 | 5% | 0.046 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 177.1 | -63 | -177.3 | 0 | 0 | 0 | 111 | Y68 T74 M75 F81 V83 I86 | Y68-I72 HydrophobicContact CD1-CD1 4.11Å; Y68-I72 HydrophobicContact CE1-CD1 3.5Å; Y68-I72 HydrophobicContact CE2-CD1 4Å; Y68-I72 VanDerWaalsContact CZ-CD1 3.46Å; Y68-I72 PolarHBondContact O-N 2.96Å; I72-T74 VanDerWaalsContact C-N 3.27Å; I72-T74 PolarHBondContact O-N 3.32Å; I72-M75 PolarHBondContact O-N 3.32Å; I72-F81 HydrophobicContact CG2-CB 3.8Å; I72-V83 HydrophobicContact CB-CG2 4.29Å; I72-V83 HydrophobicContact CG2-CG2 3.71Å; I72-I86 HydrophobicContact CD1-CD1 3.39Å; I72-I86 HydrophobicContact CG2-CD1 4.21Å |
| 73 | Y | 89.9 | Confident | 90.2 | Very high | 98 Ų | 98 | 70.8 Ų | 70.8 | 38% | 0.384 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -32.7 | 175.4 | -177.2 | -92.1 | 0 | 0 | 0 | 113.9 | L69 R70 S71 V83 F105 K109 | L69-Y73 VanDerWaalsContact O-CB 3.32Å; L69-Y73 WeakPolarHBondContact O-CB 3.43Å; L69-Y73 PolarHBondContact O-N 3.32Å; R70-Y73 PolarHBondContact O-N 3.11Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 3.45Å; Y73-V83 HydrophobicContact CD2-CG2 4.42Å; Y73-F105 HydrophobicContact CD1-CD2 4.44Å; Y73-F105 HydrophobicContact CD2-CD2 4.35Å; Y73-F105 HydrophobicContact CD2-CE2 4.43Å; Y73-F105 HydrophobicContact CG-CD2 4.15Å; Y73-F105 HydrophobicContact CG-CE2 4.12Å; Y73-K109 HydrophobicContact CE2-CD 4.1Å |
| 74 | T | 90.3 | Very high | 89.8 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -79.7 | -25.3 | -179 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | R70 S71 I72 | R70-T74 WeakPolarHBondContact O-CB 3.49Å; R70-T74 PolarHBondContact O-N 2.99Å; R70-T74 PolarHBondContact O-OG1 3.39Å; S71-T74 WeakPolarHBondContact O-CA 3.4Å; S71-T74 WeakPolarHBondContact O-CB 3.32Å; S71-T74 PolarHBondContact O-N 3.06Å; I72-T74 VanDerWaalsContact C-N 3.27Å; I72-T74 PolarHBondContact O-N 3.32Å |
| 75 | M | 90.5 | Very high | 89.5 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 42% | 0.419 | 37% | 0.369 | S | S | . | . | trans | -64.7 | 136.1 | -179 | -70.8 | -64.7 | -86.2 | 0 | 0 | 112 | S71 I72 D77 F81 | S71-M75 WeakPolarHBondContact O-CG 3.37Å; S71-M75 PolarHBondContact O-N 3.05Å; I72-M75 PolarHBondContact O-N 3.32Å; M75-D77 VanDerWaalsContact C-N 3.35Å; M75-D77 PolarHBondContact O-N 3.33Å; M75-F81 HydrophobicContact CB-CB 3.79Å; M75-F81 HydrophobicContact CB-CD2 3.52Å; M75-F81 HydrophobicContact CB-CE2 4.27Å; M75-F81 HydrophobicContact CB-CG 3.7Å; M75-F81 HydrophobicContact CE-CD2 4.02Å; M75-F81 HydrophobicContact CE-CE2 3.48Å; M75-F81 VanDerWaalsContact CE-CE2 3.48Å; M75-F81 HydrophobicContact CE-CZ 3.86Å; M75-F81 HydrophobicContact CG-CD2 3.99Å; M75-F81 HydrophobicContact CG-CE2 4.34Å; M75-F81 HydrophobicContact CG-CG 4.08Å | ||
| 76 | K | 89.1 | Confident | 89.2 | Confident | 197 Ų | 197 | 75.9 Ų | 75.9 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -67.2 | -35.7 | -176.6 | -63.5 | 178 | -178.6 | 175.4 | 0 | 112.5 | K78 | K76-K78 PolarHBondContact O-N 2.98Š|
| 77 | D | 89.7 | Confident | 89.1 | Confident | 86 Ų | 86 | 79.7 Ų | 79.7 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | trans | -86.5 | 71.7 | -170.8 | -73.6 | -21.2 | 0 | 0 | 0 | 113.3 | K22 M75 K79 V80 F81 | K22-D77 VanDerWaalsContact NZ-CB 3.32Å; K22-D77 VanDerWaalsContact NZ-CG 3.27Å; K22-D77 IonicContact NZ-OD2 3.88Å; K22-D77 PolarHBondContact NZ-OD2 3.22Å; M75-D77 VanDerWaalsContact C-N 3.35Å; M75-D77 PolarHBondContact O-N 3.33Å; D77-K79 PolarHBondContact O-N 3.43Å; D77-V80 PolarHBondContact O-N 3.29Å; D77-F81 HydrophobicContact CB-CD2 4.11Å; D77-F81 HydrophobicContact CB-CE2 4.44Å; D77-F81 PolarHBondContact O-N 2.8Å | ||
| 78 | K | 87.9 | Confident | 89 | Confident | 147 Ų | 147 | 78.8 Ų | 78.8 | 64% | 0.639 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -11.1 | -178.9 | -63.4 | 175.1 | -177 | 170.8 | 0 | 115.7 | K76 V80 | K76-K78 PolarHBondContact O-N 2.98Å; K78-V80 VanDerWaalsContact C-N 3.29Å |
| 79 | K | 86.3 | Confident | 88.9 | Confident | 192 Ų | 192 | 76.1 Ų | 76.1 | 84% | 0.835 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.5 | 170.7 | -67.9 | -171.3 | 176.6 | -172 | 0 | 113.3 | D77 | D77-K79 PolarHBondContact O-N 3.43Š|
| 80 | V | 88.1 | Confident | 88.9 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.03 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -54.3 | 171 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | Q15 A18 M19 K22 D77 K78 D82 | Q15-V80 HydrophobicContact CB-CG1 4.16Å; Q15-V80 HydrophobicContact CG-CG1 3.86Å; Q15-V80 WeakPolarHBondContact CG-O 3.33Å; A18-V80 HydrophobicContact CB-CG2 3.67Å; M19-V80 HydrophobicContact CE-CG1 3.57Å; K22-V80 HydrophobicContact CD-CG2 4.47Å; D77-V80 PolarHBondContact O-N 3.29Å; K78-V80 VanDerWaalsContact C-N 3.29Å; V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.33Å |
| 81 | F | 89.9 | Confident | 89 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 19% | 0.193 | 40% | 0.399 | C | S | . | . | trans | -90.1 | 68 | -174.3 | -55 | -65.2 | 0 | 0 | 0 | 111.2 | I72 M75 D77 | I72-F81 HydrophobicContact CG2-CB 3.8Å; M75-F81 HydrophobicContact CB-CB 3.79Å; M75-F81 HydrophobicContact CB-CD2 3.52Å; M75-F81 HydrophobicContact CB-CE2 4.27Å; M75-F81 HydrophobicContact CB-CG 3.7Å; M75-F81 HydrophobicContact CE-CD2 4.02Å; M75-F81 HydrophobicContact CE-CE2 3.48Å; M75-F81 VanDerWaalsContact CE-CE2 3.48Å; M75-F81 HydrophobicContact CE-CZ 3.86Å; M75-F81 HydrophobicContact CG-CD2 3.99Å; M75-F81 HydrophobicContact CG-CE2 4.34Å; M75-F81 HydrophobicContact CG-CG 4.08Å; D77-F81 HydrophobicContact CB-CD2 4.11Å; D77-F81 HydrophobicContact CB-CE2 4.44Å; D77-F81 PolarHBondContact O-N 2.8Å | ||
| 82 | D | 88.4 | Confident | 89.1 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | trans | -86.7 | 140.1 | 164.1 | -173.2 | 24.1 | 0 | 0 | 0 | 110.6 | V80 E84 A85 I86 | V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.33Å; D82-E84 PolarHBondContact OD1-N 3.32Å; D82-A85 HydrophobicContact CB-CB 4.29Å; D82-A85 WeakPolarHBondContact OD2-CB 3.47Å; D82-A85 PolarHBondContact OD2-N 3.48Å; D82-A85 VanDerWaalsContact OD2-N 3.09Å; D82-I86 VanDerWaalsContact O-CD1 3.27Å; D82-I86 WeakPolarHBondContact O-CD1 3.12Å; D82-I86 WeakPolarHBondContact O-CG1 3.35Å | ||
| 83 | V | 86.4 | Confident | 89.2 | Confident | 12 Ų | 12 | 74.8 Ų | 74.8 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -98.2 | -25.1 | 177.8 | -166 | 0 | 0 | 0 | 0 | 110.7 | L69 I72 Y73 I86 L106 | L69-V83 HydrophobicContact CD2-CG1 4.19Å; I72-V83 HydrophobicContact CB-CG2 4.29Å; I72-V83 HydrophobicContact CG2-CG2 3.71Å; Y73-V83 HydrophobicContact CD2-CG2 4.42Å; V83-I86 PolarHBondContact O-N 3.43Å; V83-L106 HydrophobicContact CB-CD2 4.45Å; V83-L106 HydrophobicContact CG1-CD1 4.39Å; V83-L106 HydrophobicContact CG1-CD2 3.85Å |
| 84 | E | 84.7 | Confident | 89.2 | Confident | 143 Ų | 143 | 72.4 Ų | 72.4 | 67% | 0.668 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -29.8 | -177.1 | -67.9 | 165.7 | -146.5 | 0 | 0 | 111.1 | D82 I86 K109 | D82-E84 PolarHBondContact OD1-N 3.32Å; E84-I86 VanDerWaalsContact C-N 3.27Å; E84-I86 PolarHBondContact O-N 3.26Å; E84-K109 IonicContact OE1-NZ 2.83Å; E84-K109 PolarHBondContact OE1-NZ 3.41Å |
| 85 | A | 86.8 | Confident | 89.3 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -3.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | D82 | D82-A85 HydrophobicContact CB-CB 4.29Å; D82-A85 WeakPolarHBondContact OD2-CB 3.47Å; D82-A85 PolarHBondContact OD2-N 3.48Å; D82-A85 VanDerWaalsContact OD2-N 3.09Å |
| 86 | I | 87 | Confident | 89.3 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 17% | 0.169 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -103.1 | 118.7 | -176.4 | -62.1 | 176.3 | 0 | 0 | 0 | 110.2 | L69 I72 D82 V83 E84 A88 | L69-I86 HydrophobicContact CD2-CG2 4.27Å; I72-I86 HydrophobicContact CD1-CD1 3.39Å; I72-I86 HydrophobicContact CG2-CD1 4.21Å; D82-I86 VanDerWaalsContact O-CD1 3.27Å; D82-I86 WeakPolarHBondContact O-CD1 3.12Å; D82-I86 WeakPolarHBondContact O-CG1 3.35Å; V83-I86 PolarHBondContact O-N 3.43Å; E84-I86 VanDerWaalsContact C-N 3.27Å; E84-I86 PolarHBondContact O-N 3.26Å; I86-A88 PolarHBondContact O-N 3.06Å; I86-A88 VanDerWaalsContact O-N 3.15Å |
| 87 | D | 89.7 | Confident | 89.5 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | trans | -72.1 | 107.6 | 172.4 | 179.6 | 19.9 | 0 | 0 | 0 | 111.5 | A89 A90 L91 | D87-A89 VanDerWaalsContact C-N 3.25Å; D87-A89 PolarHBondContact O-N 3.34Å; D87-A89 VanDerWaalsContact OD1-CB 3.31Å; D87-A89 WeakPolarHBondContact OD1-CB 3.49Å; D87-A89 PolarHBondContact OD1-N 3.41Å; D87-A90 HydrophobicContact CB-CB 4.18Å; D87-A90 WeakPolarHBondContact OD2-CB 3.45Å; D87-A90 PolarHBondContact OD2-N 3.12Å; D87-L91 WeakPolarHBondContact O-CB 3.25Å; D87-L91 PolarHBondContact O-N 2.88Å; D87-L91 VanDerWaalsContact O-N 3.11Å | ||
| 88 | A | 88.9 | Confident | 89.4 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.7 | -23.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I86 A92 V100 | I86-A88 PolarHBondContact O-N 3.06Å; I86-A88 VanDerWaalsContact O-N 3.15Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 2.93Å; A88-A92 VanDerWaalsContact O-N 3.09Å; A88-V100 HydrophobicContact CB-CG1 3.99Å |
| 89 | A | 90.6 | Very high | 89.4 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73 | -56.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D87 L91 A92 D93 V100 | D87-A89 VanDerWaalsContact C-N 3.25Å; D87-A89 PolarHBondContact O-N 3.34Å; D87-A89 VanDerWaalsContact OD1-CB 3.31Å; D87-A89 WeakPolarHBondContact OD1-CB 3.49Å; D87-A89 PolarHBondContact OD1-N 3.41Å; A89-L91 PolarHBondContact O-N 3.32Å; A89-A92 PolarHBondContact O-N 3.49Å; A89-A92 VanDerWaalsContact O-N 3.09Å; A89-D93 PolarHBondContact O-N 3.47Å; A89-V100 HydrophobicContact CB-CG2 4.26Å |
| 90 | A | 91.4 | Very high | 89.5 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.7 | -35.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D87 D93 S94 | D87-A90 HydrophobicContact CB-CB 4.18Å; D87-A90 WeakPolarHBondContact OD2-CB 3.45Å; D87-A90 PolarHBondContact OD2-N 3.12Å; A90-D93 PolarHBondContact O-N 3.39Å; A90-S94 WeakPolarHBondContact O-CB 3.33Å; A90-S94 PolarHBondContact O-N 2.9Å |
| 91 | L | 91.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 173.7 | -173.6 | 65.7 | 0 | 0 | 0 | 111.2 | I65 Y68 L69 D87 A89 D93 S94 F95 | I65-L91 HydrophobicContact CG2-CD2 4.12Å; Y68-L91 HydrophobicContact CD1-CD2 3.77Å; Y68-L91 HydrophobicContact CE1-CD1 4.4Å; Y68-L91 HydrophobicContact CE1-CD2 4.06Å; L69-L91 HydrophobicContact CD2-CD2 4.25Å; L69-L91 HydrophobicContact CG-CD2 4.35Å; D87-L91 WeakPolarHBondContact O-CB 3.25Å; D87-L91 PolarHBondContact O-N 2.88Å; D87-L91 VanDerWaalsContact O-N 3.11Å; A89-L91 PolarHBondContact O-N 3.32Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 2.82Å; L91-S94 PolarHBondContact O-N 2.92Å; L91-S94 VanDerWaalsContact O-N 3.14Å; L91-S94 PolarHBondContact O-OG 2.95Å; L91-F95 HydrophobicContact CD1-CD2 4.27Å; L91-F95 HydrophobicContact CD1-CE2 3.95Å; L91-F95 HydrophobicContact CG-CD2 4.37Å; L91-F95 HydrophobicContact CG-CE2 4.34Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 2.72Å |
| 92 | A | 93.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I65 A88 A89 S94 F95 G96 L97 V100 | I65-A92 HydrophobicContact CD1-CB 4.12Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 2.93Å; A88-A92 VanDerWaalsContact O-N 3.09Å; A89-A92 PolarHBondContact O-N 3.49Å; A89-A92 VanDerWaalsContact O-N 3.09Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.41Å; A92-F95 PolarHBondContact O-N 3.27Å; A92-G96 PolarHBondContact O-N 3.06Å; A92-L97 HydrophobicContact CB-CB 4.4Å; A92-L97 PolarHBondContact O-N 3.43Å; A92-V100 HydrophobicContact CB-CB 4.4Å; A92-V100 HydrophobicContact CB-CG2 3.94Å |
| 93 | D | 92.1 | Very high | 89 | Confident | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.3 | -103.6 | -28.3 | 0 | 0 | 0 | 112.8 | R48 A89 A90 L91 F95 G96 | R48-D93 IonicContact CZ-OD1 2.66Å; R48-D93 IonicContact NH2-OD1 3.86Å; R48-D93 PolarHBondContact NH2-OD1 3.05Å; A89-D93 PolarHBondContact O-N 3.47Å; A90-D93 PolarHBondContact O-N 3.39Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 2.82Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-G96 PolarHBondContact O-N 3.29Å |
| 94 | S | 91.3 | Very high | 88.6 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 34% | 0.343 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 176.8 | 75 | 0 | 0 | 0 | 0 | 113 | L47 A90 L91 A92 G96 | L47-S94 WeakPolarHBondContact CD1-O 3.43Å; A90-S94 WeakPolarHBondContact O-CB 3.33Å; A90-S94 PolarHBondContact O-N 2.9Å; L91-S94 PolarHBondContact O-N 2.92Å; L91-S94 VanDerWaalsContact O-N 3.14Å; L91-S94 PolarHBondContact O-OG 2.95Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.41Å; S94-G96 PolarHBondContact O-N 3.29Å |
| 95 | F | 91 | Very high | 88.1 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8.7 | 170.8 | -85 | -87.2 | 0 | 0 | 0 | 113.1 | L51 S64 I65 L91 A92 D93 | L51-F95 VanDerWaalsContact CD1-O 3.27Å; L51-F95 WeakPolarHBondContact CD1-O 3.49Å; S64-F95 WeakPolarHBondContact OG-CE1 3.14Å; I65-F95 HydrophobicContact CD1-CB 4.1Å; I65-F95 HydrophobicContact CD1-CD2 3.89Å; I65-F95 HydrophobicContact CD1-CG 4.08Å; I65-F95 HydrophobicContact CG1-CD2 3.63Å; I65-F95 HydrophobicContact CG1-CE2 3.88Å; I65-F95 HydrophobicContact CG1-CG 4.04Å; I65-F95 HydrophobicContact CG1-CZ 4.49Å; L91-F95 HydrophobicContact CD1-CD2 4.27Å; L91-F95 HydrophobicContact CD1-CE2 3.95Å; L91-F95 HydrophobicContact CG-CD2 4.37Å; L91-F95 HydrophobicContact CG-CE2 4.34Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 2.72Å; A92-F95 PolarHBondContact O-N 3.27Å; D93-F95 VanDerWaalsContact C-N 3.35Å |
| 96 | G | 92.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 14.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R48 A92 D93 S94 | R48-G96 WeakPolarHBondContact CG-O 3.36Å; A92-G96 PolarHBondContact O-N 3.06Å; D93-G96 PolarHBondContact O-N 3.29Å; S94-G96 PolarHBondContact O-N 3.29Å |
| 97 | L | 91.6 | Very high | 86.2 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | trans | -82.3 | 142.8 | 173.7 | -69.7 | 168.5 | 0 | 0 | 0 | 110.6 | L51 K58 A61 Q62 I65 A92 | L51-L97 HydrophobicContact CD1-CD2 4Å; L51-L97 HydrophobicContact CD1-CG 4.2Å; K58-L97 HydrophobicContact CG-CD2 3.92Å; A61-L97 HydrophobicContact CB-CD1 4.14Å; A61-L97 HydrophobicContact CB-CD2 4.34Å; A61-L97 HydrophobicContact CB-CG 4.28Å; Q62-L97 HydrophobicContact CG-CD1 3.92Å; Q62-L97 HydrophobicContact CG-CD2 4.15Å; I65-L97 HydrophobicContact CD1-CD1 3.62Å; A92-L97 HydrophobicContact CB-CB 4.4Å; A92-L97 PolarHBondContact O-N 3.43Å | ||
| 98 | V | 87.8 | Confident | 84.8 | Confident | 142 Ų | 142 | 58 Ų | 58 | 86% | 0.861 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -83.4 | -20.2 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 99 | S | 87.9 | Confident | 83.1 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -139 | 139.4 | -177.5 | 178.9 | 0 | 0 | 0 | 0 | 110 | ||
| 100 | V | 89.8 | Confident | 81.3 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | trans | -69.5 | 127.6 | 179.6 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | A88 A89 A92 | A88-V100 HydrophobicContact CB-CG1 3.99Å; A89-V100 HydrophobicContact CB-CG2 4.26Å; A92-V100 HydrophobicContact CB-CB 4.4Å; A92-V100 HydrophobicContact CB-CG2 3.94Å | ||
| 101 | P | 89.2 | Confident | 79.5 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | trans | -66.6 | 139.8 | 175.6 | 27.2 | -33.3 | 0 | 0 | 0 | 111.2 | Q62 I65 V66 V103 | Q62-P101 HydrophobicContact CB-CB 4.14Å; Q62-P101 HydrophobicContact CG-CB 4.2Å; I65-P101 HydrophobicContact CB-CG 3.97Å; I65-P101 HydrophobicContact CD1-CG 4.2Å; I65-P101 HydrophobicContact CG2-CG 3.76Å; V66-P101 HydrophobicContact CG2-CB 4.34Å; V66-P101 HydrophobicContact CG2-CG 4.46Å; P101-V103 PolarHBondContact O-N 3.06Å; P101-V103 VanDerWaalsContact O-N 3.17Å | ||
| 102 | R | 83.1 | Confident | 77.7 | Confident | 202 Ų | 202 | 72.5 Ų | 72.5 | 76% | 0.762 | 37% | 0.365 | S | S | * | . | trans | -75.2 | 107.2 | -175.1 | -176.2 | 176.9 | 175.7 | -167.8 | -3.6 | 112.5 | R104 | R102-R104 PolarHBondContact O-N 3.14Š| ||
| 103 | V | 83.1 | Confident | 75.4 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | trans | -82.9 | 107 | 179.8 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | V66 L69 P101 F105 L106 | V66-V103 HydrophobicContact CG2-CG2 4.47Å; L69-V103 HydrophobicContact CD1-CG2 3.81Å; P101-V103 PolarHBondContact O-N 3.06Å; P101-V103 VanDerWaalsContact O-N 3.17Å; V103-F105 HydrophobicContact CG1-CD1 3.61Å; V103-F105 HydrophobicContact CG1-CD2 4.16Å; V103-F105 HydrophobicContact CG1-CE1 3.21Å; V103-F105 HydrophobicContact CG1-CE2 3.79Å; V103-F105 HydrophobicContact CG1-CG 4.06Å; V103-F105 HydrophobicContact CG1-CZ 3.29Å; V103-F105 PolarHBondContact O-N 3.1Å; V103-L106 HydrophobicContact CB-CD1 4.11Å; V103-L106 HydrophobicContact CG1-CD1 3.91Å; V103-L106 HydrophobicContact CG1-CG 4.19Å | ||
| 104 | R | 78.1 | Confident | 72.8 | Confident | 107 Ų | 107 | 77 Ų | 77 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -33 | -174.8 | -64.7 | -174.7 | -173.1 | -167.3 | 5 | 114.2 | R102 I137 D138 | R102-R104 PolarHBondContact O-N 3.14Å; R104-I137 PolarHBondContact NH2-O 3.41Å; R104-D138 IonicContact CZ-OD1 2.66Å; R104-D138 IonicContact NH1-OD1 3.27Å; R104-D138 PolarHBondContact NH1-OD1 3.44Å; R104-D138 IonicContact NH2-OD1 2.8Å; R104-D138 PolarHBondContact NH2-OD1 3.17Å |
| 105 | F | 74.1 | Confident | 70.1 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 7% | 0.066 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -30.4 | -170.7 | 60.8 | -99.8 | 0 | 0 | 0 | 114.7 | V66 L69 R70 Y73 V103 N107 K108 | V66-F105 HydrophobicContact CG1-CE1 4.27Å; L69-F105 HydrophobicContact CB-CZ 3.98Å; R70-F105 HydrophobicContact CB-CE1 3.77Å; R70-F105 HydrophobicContact CB-CZ 3.89Å; R70-F105 HydrophobicContact CG-CE1 4.49Å; Y73-F105 HydrophobicContact CD1-CD2 4.44Å; Y73-F105 HydrophobicContact CD2-CD2 4.35Å; Y73-F105 HydrophobicContact CD2-CE2 4.43Å; Y73-F105 HydrophobicContact CG-CD2 4.15Å; Y73-F105 HydrophobicContact CG-CE2 4.12Å; V103-F105 HydrophobicContact CG1-CD1 3.61Å; V103-F105 HydrophobicContact CG1-CD2 4.16Å; V103-F105 HydrophobicContact CG1-CE1 3.21Å; V103-F105 HydrophobicContact CG1-CE2 3.79Å; V103-F105 HydrophobicContact CG1-CG 4.06Å; V103-F105 HydrophobicContact CG1-CZ 3.29Å; V103-F105 PolarHBondContact O-N 3.1Å; F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 3.17Å; F105-K108 VanDerWaalsContact O-CB 3.23Å; F105-K108 WeakPolarHBondContact O-CB 3.29Å; F105-K108 PolarHBondContact O-N 3.41Å; F105-K108 VanDerWaalsContact O-N 3.07Å |
| 106 | L | 70.1 | Confident | 67.8 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 27% | 0.272 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 174.7 | -81 | 164.9 | 0 | 0 | 0 | 111.1 | V83 V103 K108 K109 | V83-L106 HydrophobicContact CB-CD2 4.45Å; V83-L106 HydrophobicContact CG1-CD1 4.39Å; V83-L106 HydrophobicContact CG1-CD2 3.85Å; V103-L106 HydrophobicContact CB-CD1 4.11Å; V103-L106 HydrophobicContact CG1-CD1 3.91Å; V103-L106 HydrophobicContact CG1-CG 4.19Å; L106-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact O-N 3.14Å; L106-K109 VanDerWaalsContact O-CB 3.29Å; L106-K109 WeakPolarHBondContact O-CB 3.23Å; L106-K109 PolarHBondContact O-N 3.2Å |
| 107 | N | 63.3 | Low | 65.2 | Low | 66 Ų | 66 | 96.6 Ų | 96.6 | 35% | 0.353 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -17.4 | 178.6 | -57.4 | 29.9 | 0 | 0 | 0 | 113 | F105 K111 | F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 3.17Å; N107-K111 WeakPolarHBondContact O-CG 3.47Å; N107-K111 PolarHBondContact O-N 2.92Å |
| 108 | K | 61 | Low | 62.5 | Low | 103 Ų | 103 | 104.7 Ų | 104.7 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -77.5 | -23.8 | 176.5 | -154.8 | 173.3 | -172.9 | 177.9 | 0 | 111.8 | F105 L106 K112 E142 | F105-K108 VanDerWaalsContact O-CB 3.23Å; F105-K108 WeakPolarHBondContact O-CB 3.29Å; F105-K108 PolarHBondContact O-N 3.41Å; F105-K108 VanDerWaalsContact O-N 3.07Å; L106-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact O-N 3.14Å; K108-K112 WeakPolarHBondContact O-CG 3.49Å; K108-E142 IonicContact NZ-OE2 2.78Å; K108-E142 PolarHBondContact NZ-OE2 3.26Å |
| 109 | K | 52.7 | Low | 60 | Low | 70 Ų | 70 | 104.1 Ų | 104.1 | 30% | 0.304 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.2 | -53.5 | 173.2 | -136.9 | -169.6 | -179.1 | -169 | 0 | 110 | Y73 E84 L106 K111 K112 S113 | Y73-K109 HydrophobicContact CE2-CD 4.1Å; E84-K109 IonicContact OE1-NZ 2.83Å; E84-K109 PolarHBondContact OE1-NZ 3.41Å; L106-K109 VanDerWaalsContact O-CB 3.29Å; L106-K109 WeakPolarHBondContact O-CB 3.23Å; L106-K109 PolarHBondContact O-N 3.2Å; K109-K111 VanDerWaalsContact C-N 3.25Å; K109-K111 PolarHBondContact O-N 3.48Å; K109-K112 PolarHBondContact O-N 3.07Å; K109-S113 PolarHBondContact O-N 2.75Å; K109-S113 VanDerWaalsContact O-N 3.1Å; K109-S113 PolarHBondContact O-OG 2.77Å |
| 110 | A | 52.1 | Low | 57.5 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -53.1 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K112 | A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.83Å |
| 111 | K | 54.4 | Low | 54.8 | Low | 149 Ų | 149 | 114.8 Ų | 114.8 | 65% | 0.648 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.9 | -6.3 | 177 | -70.7 | -178.7 | 179.8 | -175 | 0 | 115.8 | N107 K109 | N107-K111 WeakPolarHBondContact O-CG 3.47Å; N107-K111 PolarHBondContact O-N 2.92Å; K109-K111 VanDerWaalsContact C-N 3.25Å; K109-K111 PolarHBondContact O-N 3.48Å |
| 112 | K | 53.5 | Low | 52.1 | Low | 178 Ų | 178 | 121 Ų | 121 | 77% | 0.774 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -111.1 | -20 | 178.5 | -79.6 | -174.2 | 174.6 | -171.8 | 0 | 113.7 | K108 K109 A110 | K108-K112 WeakPolarHBondContact O-CG 3.49Å; K109-K112 PolarHBondContact O-N 3.07Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.83Å |
| 113 | S | 45.3 | Very low | 49.9 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -101 | -10 | -174.4 | 56.9 | 0 | 0 | 0 | 0 | 115.1 | K109 | K109-S113 PolarHBondContact O-N 2.75Å; K109-S113 VanDerWaalsContact O-N 3.1Å; K109-S113 PolarHBondContact O-OG 2.77Å |
| 114 | G | 36.9 | Very low | 47.4 | Very low | 50 Ų | 50 | 126.3 Ų | 126.3 | 52% | 0.515 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -161 | 153.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 115 | E | 34.5 | Very low | 45.1 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | trans | -59.5 | 169.9 | -170.5 | -66.5 | 161.9 | 100.1 | 0 | 0 | 116.7 | L117 | E115-L117 PolarHBondContact O-N 3.21Š| ||
| 116 | K | 43.5 | Very low | 43.4 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 91% | 0.909 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -58.7 | 93.3 | 163.3 | -66.7 | 168.9 | 178.8 | 166.6 | 0 | 110.8 | ||
| 117 | L | 38.2 | Very low | 41.8 | Very low | 145 Ų | 145 | 143 Ų | 143 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -162.3 | 140.2 | 154.9 | -100.6 | 140.9 | 0 | 0 | 0 | 109.9 | E115 | E115-L117 PolarHBondContact O-N 3.21Š| ||
| 118 | M | 34.3 | Very low | 40.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | 66.1 | 59.1 | 165.7 | -54.3 | 178.3 | -177.9 | 0 | 0 | 118.8 | ||||
| 119 | E | 34.9 | Very low | 39.4 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | trans | -118 | 73.5 | 146.7 | -90.6 | -165 | 175.1 | 0 | 0 | 109.2 | ||||
| 120 | K | 36.2 | Very low | 38.7 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -155.2 | 27.3 | 173.1 | -133.8 | -165.9 | 177.4 | -148.6 | 0 | 118.9 | ||||
| 121 | E | 32.3 | Very low | 37.9 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -131.7 | 9.1 | 177.7 | -66.9 | -169.3 | 159.4 | 0 | 0 | 115.6 | ||
| 122 | V | 32.6 | Very low | 37 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -129.3 | 46.4 | 177.6 | -160.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 123 | K | 35.6 | Very low | 36.2 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -140.9 | 7 | -176.8 | -94.4 | -174.2 | -176.5 | 162.3 | 0 | 116.5 | ||
| 124 | E | 31.6 | Very low | 35.9 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -109 | 4 | -175.3 | -62.7 | -168.8 | 168.3 | 0 | 0 | 114.2 | ||
| 125 | E | 30.7 | Very low | 35.9 | Very low | 202 Ų | 202 | 153.5 Ų | 153.5 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -111 | -7.3 | 179.3 | -64.1 | -167 | 157.3 | 0 | 0 | 115.9 | ||
| 126 | E | 37.6 | Very low | 36.5 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -110.4 | -0.1 | -177.6 | -70 | -166.3 | 158.2 | 0 | 0 | 115.8 | ||
| 127 | E | 36.6 | Very low | 36.7 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -83.4 | -10.4 | -172.1 | -64.5 | -146 | 142.4 | 0 | 0 | 115.7 | A129 | E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.05Å |
| 128 | E | 36.3 | Very low | 36.9 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 93% | 0.925 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -84 | 2.6 | 179.8 | -69.5 | -64.8 | 163 | 0 | 0 | 114.8 | ||
| 129 | A | 38 | Very low | 37.8 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -109.6 | 4.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E127 L131 | E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.05Å; A129-L131 PolarHBondContact O-N 3.48Å |
| 130 | S | 37.9 | Very low | 38.1 | Very low | 58 Ų | 58 | 134.2 Ų | 134.2 | 41% | 0.406 | 70% | 0.7 | S | S | . | * | trans | -102.2 | 76 | -170.4 | 81.2 | 0 | 0 | 0 | 0 | 115.7 | K134 | S130-K134 PolarHBondContact OG-NZ 2.92Š| ||
| 131 | L | 35.8 | Very low | 38.7 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -125 | 11 | 159.3 | -146.8 | 120.1 | 0 | 0 | 0 | 114.2 | A129 | A129-L131 PolarHBondContact O-N 3.48Š|
| 132 | V | 33.7 | Very low | 39.7 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -119 | 118.3 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | K134 | V132-K134 PolarHBondContact O-N 2.99Š|
| 133 | G | 37.2 | Very low | 40.3 | Very low | 54 Ų | 54 | 126.9 Ų | 126.9 | 56% | 0.557 | 67% | 0.667 | S | S | * | * | trans | 24.4 | 85.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | F135 | G133-F135 VanDerWaalsContact C-N 3.27Å; G133-F135 WeakPolarHBondContact O-CD2 3.4Å; G133-F135 PolarHBondContact O-N 3.35Å | ||
| 134 | K | 40.4 | Very low | 40.9 | Very low | 159 Ų | 159 | 126 Ų | 126 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | trans | -71.8 | 82.5 | 160.5 | -82 | 172.8 | 169.7 | 158.1 | 0 | 109.6 | S130 V132 A136 | S130-K134 PolarHBondContact OG-NZ 2.92Å; V132-K134 PolarHBondContact O-N 2.99Å; K134-A136 PolarHBondContact O-N 3.4Å | ||
| 135 | F | 36.1 | Very low | 41.3 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | trans | -69.5 | 77.3 | 167.8 | -73.4 | -89.7 | 0 | 0 | 0 | 110.1 | G133 I137 | G133-F135 VanDerWaalsContact C-N 3.27Å; G133-F135 WeakPolarHBondContact O-CD2 3.4Å; G133-F135 PolarHBondContact O-N 3.35Å; F135-I137 PolarHBondContact O-N 3.26Å | ||
| 136 | A | 46.4 | Very low | 41.9 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | trans | -75.9 | 103.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108 | K134 D138 | K134-A136 PolarHBondContact O-N 3.4Å; A136-D138 PolarHBondContact O-N 2.92Å; A136-D138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | I | 48.4 | Very low | 41.9 | Very low | 67 Ų | 67 | 119.6 Ų | 119.6 | 34% | 0.344 | 65% | 0.652 | S | S | . | * | trans | -61.8 | 113.8 | 166.6 | -59.2 | 167.7 | 0 | 0 | 0 | 106.1 | K63 R104 F135 E139 | K63-I137 HydrophobicContact CG-CD1 3.84Å; R104-I137 PolarHBondContact NH2-O 3.41Å; F135-I137 PolarHBondContact O-N 3.26Å; I137-E139 HydrophobicContact CG2-CG 4.28Å | ||
| 138 | D | 41.4 | Very low | 42.4 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | trans | -90.4 | 110.1 | 175 | -104.1 | -21.2 | 0 | 0 | 0 | 109.2 | R104 A136 D140 | R104-D138 IonicContact CZ-OD1 2.66Å; R104-D138 IonicContact NH1-OD1 3.27Å; R104-D138 PolarHBondContact NH1-OD1 3.44Å; R104-D138 IonicContact NH2-OD1 2.8Å; R104-D138 PolarHBondContact NH2-OD1 3.17Å; A136-D138 PolarHBondContact O-N 2.92Å; A136-D138 VanDerWaalsContact O-N 3.11Å; D138-D140 PolarHBondContact O-N 3.46Å | ||
| 139 | E | 53.1 | Low | 42.4 | Very low | 57 Ų | 57 | 120.3 Ų | 120.3 | 27% | 0.266 | 65% | 0.65 | S | S | . | * | trans | -93.2 | 76.1 | 175.4 | -63.7 | -178.8 | 128.2 | 0 | 0 | 108.5 | R70 I137 D141 | R70-E139 IonicContact CZ-OE1 3.2Å; R70-E139 IonicContact CZ-OE2 2.75Å; R70-E139 IonicContact NH1-OE1 2.57Å; R70-E139 PolarHBondContact NH1-OE1 3.36Å; R70-E139 IonicContact NH2-OE1 2.71Å; R70-E139 PolarHBondContact NH2-OE1 3.34Å; R70-E139 IonicContact NH2-OE2 2.77Å; R70-E139 PolarHBondContact NH2-OE2 2.94Å; I137-E139 HydrophobicContact CG2-CG 4.28Å; E139-D141 PolarHBondContact O-N 2.86Å | ||
| 140 | D | 42.2 | Very low | 42.3 | Very low | 140 Ų | 140 | 122 Ų | 122 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 3.9 | -178.4 | -90.8 | -22.2 | 0 | 0 | 0 | 114.1 | D138 | D138-D140 PolarHBondContact O-N 3.46Š|
| 141 | D | 47.9 | Very low | 42 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 1.4 | -176 | -65.2 | -47.7 | 0 | 0 | 0 | 115 | E139 D143 I144 | E139-D141 PolarHBondContact O-N 2.86Å; D141-D143 VanDerWaalsContact C-N 3.33Å; D141-D143 PolarHBondContact O-N 3.11Å; D141-I144 WeakPolarHBondContact O-CG2 3.43Å |
| 142 | E | 53.2 | Low | 41.7 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 41% | 0.411 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | -8.2 | -174 | -81.3 | -159.7 | 170.2 | 0 | 0 | 116.1 | K108 | K108-E142 IonicContact NZ-OE2 2.78Å; K108-E142 PolarHBondContact NZ-OE2 3.26Å |
| 143 | D | 46.2 | Very low | 41.5 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -1.5 | -177.7 | -93.2 | -20.2 | 0 | 0 | 0 | 114.6 | D141 | D141-D143 VanDerWaalsContact C-N 3.33Å; D141-D143 PolarHBondContact O-N 3.11Å |
| 144 | I | 48.1 | Very low | 41.5 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -83 | -18.4 | -176.1 | -163.1 | 169.7 | 0 | 0 | 0 | 115 | D141 | D141-I144 WeakPolarHBondContact O-CG2 3.43Š|
| 145 | F | 41.2 | Very low | 41.1 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 83% | 0.833 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -116.5 | 8.9 | -173 | -82 | -68 | 0 | 0 | 0 | 117.1 | ||
| 146 | T | 42.8 | Very low | 40.9 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 57% | 0.571 | 70% | 0.7 | S | S | * | * | trans | -128.8 | 93.6 | 172.4 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | K148 | T146-K148 PolarHBondContact O-N 2.96Š| ||
| 147 | V | 37.8 | Very low | 40.1 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | -65.8 | 98.9 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | K149 | V147-K149 PolarHBondContact O-N 2.71Š| ||
| 148 | K | 46.1 | Very low | 39.3 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | trans | -70.1 | 108.6 | 170.6 | -75 | 171.3 | -178.4 | 153.2 | 0 | 109.4 | T146 P150 | T146-K148 PolarHBondContact O-N 2.96Å; K148-P150 WeakPolarHBondContact O-CD 3.42Å | ||
| 149 | K | 36.1 | Very low | 38.6 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | -68.4 | 120.5 | 164.4 | -66.1 | -176.7 | 177.8 | -175.1 | 0 | 109 | V147 T151 | V147-K149 PolarHBondContact O-N 2.71Å; K149-T151 PolarHBondContact O-N 2.57Å | ||
| 150 | P | 37 | Very low | 37.7 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -92.4 | 89.5 | 175.6 | 34.4 | -28.4 | 0 | 0 | 0 | 110.1 | K148 G152 | K148-P150 WeakPolarHBondContact O-CD 3.42Å; P150-G152 PolarHBondContact O-N 3.4Å | ||
| 151 | T | 30.2 | Very low | 37.1 | Very low | 141 Ų | 141 | 153.3 Ų | 153.3 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -76.5 | 117.4 | 158.9 | -19.9 | 0 | 0 | 0 | 0 | 107 | K149 | K149-T151 PolarHBondContact O-N 2.57Š| ||
| 152 | G | 30.7 | Very low | 36.1 | Very low | 65 Ų | 65 | 151.2 Ų | 151.2 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | -100.6 | 152.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P150 | P150-G152 PolarHBondContact O-N 3.4Š| ||
| 153 | E | 29.8 | Very low | 35 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -158.9 | 140.9 | 140.5 | -112.6 | 167.5 | -147.5 | 0 | 0 | 109.2 | ||||
| 154 | P | 36.4 | Very low | 34.4 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 121 | -176.1 | 35.3 | -29.4 | 0 | 0 | 0 | 112.7 | ||
| 155 | E | 33.1 | Very low | 33.7 | Very low | 199 Ų | 199 | 153 Ų | 153 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 157.5 | 170 | -71.1 | -159.3 | 143.9 | 0 | 0 | 113.5 | ||
| 156 | Q | 31.4 | Very low | 33.2 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 148.7 | -150 | -63.3 | 160.7 | 6 | 0 | 0 | 113.5 | ||
| 157 | I | 29.4 | Very low | 32.7 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82 | 133.7 | 168.5 | -61 | 167.3 | 0 | 0 | 0 | 108.5 | E159 | I157-E159 HydrophobicContact CG2-CG 4.49Š|
| 158 | K | 31.2 | Very low | 32.3 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -121.5 | 125.6 | 162.1 | -73.6 | -173.8 | 176.5 | -178.4 | 0 | 109.7 | ||||
| 159 | E | 27.6 | Very low | 31.6 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -99.4 | 145 | 164.8 | -64.3 | 178 | 137.5 | 0 | 0 | 108.2 | I157 | I157-E159 HydrophobicContact CG2-CG 4.49Š| ||
| 160 | E | 33.8 | Very low | 31.3 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | -154.1 | 147.6 | 159.6 | -115.1 | 167.9 | -140.1 | 0 | 0 | 109.1 | ||||
| 161 | E | 28.8 | Very low | 31.1 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -103.5 | 167.8 | -159 | -60.8 | -173.3 | 117 | 0 | 0 | 115.5 | ||||
| 162 | A | 27.2 | Very low | 31.3 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 16 | 134.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 163 | A | 29.6 | Very low | 31.5 | Very low | 94 Ų | 94 | 154.5 Ų | 154.5 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | 175.2 | 172.1 | 58.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 164 | E | 34.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 152 Ų | 152 | 65% | 0.645 | 80% | 0.802 | S | S | * | * | cis | -167.4 | 138.2 | -32.6 | -98 | -149 | 129 | 0 | 0 | 110.9 | ||||
| 165 | K | 33.2 | Very low | 32.8 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | 66.1 | 146.2 | 154.5 | -60.2 | 161.9 | -174 | 149.4 | 0 | 117.1 | ||||
| 166 | I | 29.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | -145.3 | 165.6 | 56.4 | -76.8 | 163.5 | 0 | 0 | 0 | 112.6 | |||||
| 167 | S | 32.8 | Very low | 34.5 | Very low | 82 Ų | 82 | 151.6 Ų | 151.6 | 57% | 0.573 | 80% | 0.802 | S | S | * | * | trans | -76.8 | 154.4 | -166.2 | 53.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 168 | N | 30 | Very low | 36 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | -159.8 | 165.4 | 110.9 | -93 | -16.3 | 0 | 0 | 0 | 112.5 | |||||
| 169 | I | 30.7 | Very low | 37.8 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -119.8 | 135.7 | -151.8 | -67 | 159.4 | 0 | 0 | 0 | 113 | ||||
| 170 | T | 30.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 150 Ų | 150 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -156.2 | 115.3 | 142.4 | 40.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 171 | I | 31.7 | Very low | 41.3 | Very low | 153 Ų | 153 | 144 Ų | 144 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 44.9 | 127.3 | 132.8 | -50.1 | 168.3 | 0 | 0 | 0 | 118.5 | ||||
| 172 | S | 35.2 | Very low | 43.7 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -162.8 | 139.6 | -10.8 | 52.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 173 | K | 34.8 | Very low | 46.3 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 123.9 | -176.1 | -65.1 | 170.7 | 179.9 | 174.1 | 0 | 112.4 | ||
| 174 | T | 41.8 | Very low | 48.7 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 148.3 | 160.2 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 175 | K | 51 | Low | 50.9 | Low | 190 Ų | 190 | 139.7 Ų | 139.7 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 142.9 | -162.9 | -63.9 | 156.1 | -175 | 162.7 | 0 | 111 | L177 | K175-L177 PolarHBondContact O-N 3.23Š|
| 176 | P | 50.1 | Low | 53.2 | Low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 132.7 | 168.3 | 27.5 | -33.5 | 0 | 0 | 0 | 109.8 | K178 | P176-K178 PolarHBondContact O-N 2.96Š|
| 177 | L | 50.9 | Low | 55.4 | Low | 175 Ų | 175 | 128.2 Ų | 128.2 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 121 | 176.7 | -78.4 | 154.7 | 0 | 0 | 0 | 109.9 | K175 K179 | K175-L177 PolarHBondContact O-N 3.23Å; L177-K179 PolarHBondContact O-N 3.29Å |
| 178 | K | 59.9 | Low | 57.7 | Low | 199 Ų | 199 | 130.7 Ų | 130.7 | 87% | 0.865 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116 | -177.8 | -65.7 | 177 | -177.2 | 174.4 | 0 | 108.6 | P176 A180 | P176-K178 PolarHBondContact O-N 2.96Å; K178-A180 PolarHBondContact O-N 3.14Å |
| 179 | K | 69.2 | Low | 60.1 | Low | 194 Ų | 194 | 128.7 Ų | 128.7 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | trans | -45.5 | 128.8 | 175.6 | -62.8 | 179.1 | -179.5 | -179.7 | 0 | 110.4 | L177 V181 | L177-K179 PolarHBondContact O-N 3.29Å; K179-V181 PolarHBondContact O-N 3.33Å | ||
| 180 | A | 66.4 | Low | 62.2 | Low | 99 Ų | 99 | 125.7 Ų | 125.7 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -53.9 | 123 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K178 T182 | K178-A180 PolarHBondContact O-N 3.14Å; A180-T182 PolarHBondContact O-N 3.05Å | ||
| 181 | V | 68.8 | Low | 64.1 | Low | 77 Ų | 77 | 126.1 Ų | 126.1 | 47% | 0.467 | 67% | 0.67 | S | S | . | * | trans | -79.6 | 111.2 | -175.7 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | K179 A186 | K179-V181 PolarHBondContact O-N 3.33Å; V181-A186 HydrophobicContact CG1-CB 3.97Å | ||
| 182 | T | 78.9 | Confident | 66.2 | Low | 95 Ų | 95 | 125.5 Ų | 125.5 | 58% | 0.583 | 67% | 0.668 | S | S | * | * | trans | -57.5 | 148.8 | 174.7 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | A180 V184 S185 A186 | A180-T182 PolarHBondContact O-N 3.05Å; T182-V184 PolarHBondContact O-N 3.41Å; T182-S185 WeakPolarHBondContact O-CA 3.28Å; T182-S185 WeakPolarHBondContact O-CB 3.45Å; T182-S185 PolarHBondContact O-N 2.93Å; T182-S185 WeakPolarHBondContact OG1-CB 3.38Å; T182-A186 PolarHBondContact O-N 2.94Å | ||
| 183 | K | 82.4 | Confident | 68.3 | Low | 197 Ų | 197 | 128.5 Ų | 128.5 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -49.2 | -39.3 | -177.4 | -63.7 | -178.8 | 179.2 | 179.9 | 0 | 112.6 | A186 A187 | K183-A186 PolarHBondContact O-N 3.3Å; K183-A187 PolarHBondContact O-N 3.42Å |
| 184 | V | 78.7 | Confident | 69.9 | Low | 97 Ų | 97 | 127.9 Ų | 127.9 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.7 | -39.3 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 113.1 | T182 K188 | T182-V184 PolarHBondContact O-N 3.41Å; V184-K188 WeakPolarHBondContact O-CG 3.44Å; V184-K188 PolarHBondContact O-N 3Å |
| 185 | S | 81.4 | Confident | 71 | Confident | 43 Ų | 43 | 126.7 Ų | 126.7 | 30% | 0.301 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.7 | -34.1 | 178.2 | -176.1 | 0 | 0 | 0 | 0 | 112 | T182 K189 | T182-S185 WeakPolarHBondContact O-CA 3.28Å; T182-S185 WeakPolarHBondContact O-CB 3.45Å; T182-S185 PolarHBondContact O-N 2.93Å; T182-S185 WeakPolarHBondContact OG1-CB 3.38Å; S185-K189 WeakPolarHBondContact O-CG 3.46Å; S185-K189 PolarHBondContact O-N 2.78Å; S185-K189 VanDerWaalsContact O-N 3.16Å |
| 186 | A | 81.7 | Confident | 71.6 | Confident | 40 Ų | 40 | 123.4 Ų | 123.4 | 33% | 0.331 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.5 | -49.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V181 T182 K183 K188 K189 I190 | V181-A186 HydrophobicContact CG1-CB 3.97Å; T182-A186 PolarHBondContact O-N 2.94Å; K183-A186 PolarHBondContact O-N 3.3Å; A186-K188 PolarHBondContact O-N 2.94Å; A186-K189 WeakPolarHBondContact O-CB 3.33Å; A186-K189 PolarHBondContact O-N 2.99Å; A186-K189 VanDerWaalsContact O-N 3.1Å; A186-I190 WeakPolarHBondContact O-CG1 3.34Å; A186-I190 PolarHBondContact O-N 2.88Å; A186-I190 VanDerWaalsContact O-N 3.08Å |
| 187 | A | 75.5 | Confident | 72.4 | Confident | 49 Ų | 49 | 123.1 Ų | 123.1 | 41% | 0.405 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -57.4 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K183 K189 I190 L191 | K183-A187 PolarHBondContact O-N 3.42Å; A187-K189 VanDerWaalsContact C-N 3.31Å; A187-K189 PolarHBondContact O-N 3.41Å; A187-I190 PolarHBondContact O-N 2.75Å; A187-I190 VanDerWaalsContact O-N 3.16Å; A187-L191 PolarHBondContact O-N 2.92Å |
| 188 | K | 81.8 | Confident | 72.7 | Confident | 134 Ų | 134 | 122.7 Ų | 122.7 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.9 | -36.5 | 175.3 | -75 | -176.9 | 177.7 | -173.5 | 0 | 113.1 | V184 A186 N192 | V184-K188 WeakPolarHBondContact O-CG 3.44Å; V184-K188 PolarHBondContact O-N 3Å; A186-K188 PolarHBondContact O-N 2.94Å; K188-N192 WeakPolarHBondContact O-CB 3.49Å; K188-N192 VanDerWaalsContact O-CG 3.24Å; K188-N192 PolarHBondContact O-N 2.93Å; K188-N192 PolarHBondContact O-OD1 2.94Å |
| 189 | K | 79.5 | Confident | 72.9 | Confident | 117 Ų | 117 | 116.4 Ų | 116.4 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.2 | -31.2 | 175.9 | -77 | 173.8 | -179.7 | 177.2 | 0 | 113.1 | S185 A186 A187 K193 | S185-K189 WeakPolarHBondContact O-CG 3.46Å; S185-K189 PolarHBondContact O-N 2.78Å; S185-K189 VanDerWaalsContact O-N 3.16Å; A186-K189 WeakPolarHBondContact O-CB 3.33Å; A186-K189 PolarHBondContact O-N 2.99Å; A186-K189 VanDerWaalsContact O-N 3.1Å; A187-K189 VanDerWaalsContact C-N 3.31Å; A187-K189 PolarHBondContact O-N 3.41Å; K189-K193 WeakPolarHBondContact O-CB 3.37Å; K189-K193 WeakPolarHBondContact O-CG 3.31Å; K189-K193 PolarHBondContact O-N 3.21Å |
| 190 | I | 74.8 | Confident | 72.3 | Confident | 88 Ų | 88 | 116.1 Ų | 116.1 | 45% | 0.451 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.8 | -47.1 | 176 | -64.4 | 162.4 | 0 | 0 | 0 | 109.7 | A186 A187 K193 K194 | A186-I190 WeakPolarHBondContact O-CG1 3.34Å; A186-I190 PolarHBondContact O-N 2.88Å; A186-I190 VanDerWaalsContact O-N 3.08Å; A187-I190 PolarHBondContact O-N 2.75Å; A187-I190 VanDerWaalsContact O-N 3.16Å; I190-K193 PolarHBondContact O-N 3.02Å; I190-K193 VanDerWaalsContact O-N 3.17Å; I190-K194 PolarHBondContact O-N 3.17Å |
| 191 | L | 70.9 | Confident | 71.9 | Confident | 133 Ų | 133 | 117 Ų | 117 | 70% | 0.696 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.3 | -47.9 | 176.3 | -68.4 | 172.7 | 0 | 0 | 0 | 112.5 | A187 K193 K194 | A187-L191 PolarHBondContact O-N 2.92Å; L191-K193 PolarHBondContact O-N 3.33Å; L191-K193 VanDerWaalsContact O-N 3.16Å; L191-K194 PolarHBondContact O-N 3.24Å |
| 192 | N | 76.8 | Confident | 71.1 | Confident | 140 Ų | 140 | 118.8 Ų | 118.8 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.4 | -20.3 | 178.7 | -73.1 | 14.1 | 0 | 0 | 0 | 113.3 | K188 | K188-N192 WeakPolarHBondContact O-CB 3.49Å; K188-N192 VanDerWaalsContact O-CG 3.24Å; K188-N192 PolarHBondContact O-N 2.93Å; K188-N192 PolarHBondContact O-OD1 2.94Å |
| 193 | K | 79 | Confident | 69.4 | Low | 169 Ų | 169 | 122.9 Ų | 122.9 | 74% | 0.735 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -3.1 | 175.7 | -77.9 | -179.2 | 173 | -162.1 | 0 | 113.9 | K189 I190 L191 L195 | K189-K193 WeakPolarHBondContact O-CB 3.37Å; K189-K193 WeakPolarHBondContact O-CG 3.31Å; K189-K193 PolarHBondContact O-N 3.21Å; I190-K193 PolarHBondContact O-N 3.02Å; I190-K193 VanDerWaalsContact O-N 3.17Å; L191-K193 PolarHBondContact O-N 3.33Å; L191-K193 VanDerWaalsContact O-N 3.16Å; K193-L195 PolarHBondContact O-N 3.48Å; K193-L195 VanDerWaalsContact O-N 3.09Å |
| 194 | K | 69.6 | Low | 68.1 | Low | 193 Ų | 193 | 116.5 Ų | 116.5 | 84% | 0.839 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.3 | 34.8 | -177.7 | -59.6 | -175.2 | 178.8 | -177.6 | 0 | 113.5 | I190 L191 K196 | I190-K194 PolarHBondContact O-N 3.17Å; L191-K194 PolarHBondContact O-N 3.24Å; K194-K196 PolarHBondContact O-N 3.49Å; K194-K196 VanDerWaalsContact O-N 3.13Å |
| 195 | L | 64.6 | Low | 66.9 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | trans | -72.3 | 107.7 | -180 | -167.5 | 78.3 | 0 | 0 | 0 | 108.7 | K193 V197 | K193-L195 PolarHBondContact O-N 3.48Å; K193-L195 VanDerWaalsContact O-N 3.09Å; L195-V197 HydrophobicContact CD2-CG1 4.23Å; L195-V197 PolarHBondContact O-N 3.49Å | ||
| 196 | K | 62.7 | Low | 65.5 | Low | 121 Ų | 121 | 123.9 Ų | 123.9 | 53% | 0.526 | 65% | 0.65 | S | S | . | * | trans | -59.5 | 125.1 | 167.1 | -68.3 | -174.8 | -175.8 | 179.5 | 0 | 107.7 | K194 E211 L213 | K194-K196 PolarHBondContact O-N 3.49Å; K194-K196 VanDerWaalsContact O-N 3.13Å; K196-E211 IonicContact NZ-OE2 2.81Å; K196-E211 PolarHBondContact NZ-OE2 2.93Å; K196-L213 HydrophobicContact CD-CD2 4.33Å | ||
| 197 | V | 66.3 | Low | 64.2 | Low | 111 Ų | 111 | 130.1 Ų | 130.1 | 67% | 0.673 | 68% | 0.678 | S | S | * | * | trans | -116.5 | 147.6 | 172.8 | -74.9 | 0 | 0 | 0 | 0 | 108.3 | L195 | L195-V197 HydrophobicContact CD2-CG1 4.23Å; L195-V197 PolarHBondContact O-N 3.49Å | ||
| 198 | N | 58.3 | Low | 63.1 | Low | 166 Ų | 166 | 135.4 Ų | 135.4 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | 61.1 | 87.6 | -158 | -80.1 | 7.9 | 0 | 0 | 0 | 114.1 | ||||
| 199 | T | 63 | Low | 61.5 | Low | 68 Ų | 68 | 136 Ų | 136 | 42% | 0.417 | 70% | 0.704 | S | S | . | * | trans | -130.4 | 128.8 | 147.6 | 52.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 200 | K | 58.1 | Low | 60.1 | Low | 188 Ų | 188 | 138.2 Ų | 138.2 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | trans | -103.8 | 98.4 | 178.5 | -177.8 | -173.4 | 174.9 | -170.3 | 0 | 108.4 | T202 | K200-T202 PolarHBondContact O-N 3.07Š| ||
| 201 | K | 58.2 | Low | 59.1 | Low | 116 Ų | 116 | 139.3 Ų | 139.3 | 50% | 0.504 | 72% | 0.724 | S | S | . | * | trans | -69.9 | 122 | 173.8 | -65.2 | -159.5 | 174.1 | -159.7 | 0 | 110.2 | F203 E209 | K201-F203 HydrophobicContact CB-CE2 4.01Å; K201-F203 HydrophobicContact CB-CZ 4.22Å; K201-F203 HydrophobicContact CD-CZ 4.08Å; K201-E209 IonicContact NZ-OE1 2.92Å; K201-E209 PolarHBondContact NZ-OE1 3.28Å | ||
| 202 | T | 51.3 | Low | 58.1 | Low | 115 Ų | 115 | 141.2 Ų | 141.2 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -114 | 118.8 | 166.1 | 48.5 | 0 | 0 | 0 | 0 | 108.5 | K200 | K200-T202 PolarHBondContact O-N 3.07Š| ||
| 203 | F | 43 | Very low | 56.8 | Low | 181 Ų | 181 | 139.5 Ų | 139.5 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | -89.1 | 114 | -179 | -64.2 | -86.9 | 0 | 0 | 0 | 110.1 | K201 | K201-F203 HydrophobicContact CB-CE2 4.01Å; K201-F203 HydrophobicContact CB-CZ 4.22Å; K201-F203 HydrophobicContact CD-CZ 4.08Å | ||
| 204 | G | 54.5 | Low | 55.4 | Low | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -87.4 | 151.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110 | E206 | G204-E206 VanDerWaalsContact C-N 3.28Å; G204-E206 PolarHBondContact O-N 2.77Å | ||
| 205 | A | 53.6 | Low | 54.6 | Low | 111 Ų | 111 | 139.1 Ų | 139.1 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -86.7 | 57 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 206 | E | 53.3 | Low | 53.9 | Low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -167.3 | 133.9 | 155.7 | -109.7 | 169.1 | 168.5 | 0 | 0 | 107.3 | G204 D208 | G204-E206 VanDerWaalsContact C-N 3.28Å; G204-E206 PolarHBondContact O-N 2.77Å; E206-D208 PolarHBondContact O-N 3.42Å; E206-D208 VanDerWaalsContact O-N 3.12Å |
| 207 | D | 54.5 | Low | 53.3 | Low | 171 Ų | 171 | 137.3 Ų | 137.3 | 91% | 0.914 | 74% | 0.741 | S | S | * | * | trans | -75.8 | 99 | -162.5 | -71.7 | -53.4 | 0 | 0 | 0 | 113.8 | ||||
| 208 | D | 50.6 | Low | 52.8 | Low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -138.3 | 108.5 | 156.6 | -105.5 | -39.5 | 0 | 0 | 0 | 109.8 | E206 L210 | E206-D208 PolarHBondContact O-N 3.42Å; E206-D208 VanDerWaalsContact O-N 3.12Å; D208-L210 PolarHBondContact O-N 3.03Å | ||
| 209 | E | 48.8 | Very low | 52.7 | Low | 146 Ų | 146 | 134.3 Ų | 134.3 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | trans | -91.8 | 95.4 | -171.5 | -171.1 | 171.1 | -144.6 | 0 | 0 | 112.2 | K201 | K201-E209 IonicContact NZ-OE1 2.92Å; K201-E209 PolarHBondContact NZ-OE1 3.28Å | ||
| 210 | L | 51.3 | Low | 51.7 | Low | 164 Ų | 164 | 138.6 Ų | 138.6 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -98.8 | 114.4 | 173.8 | -90.3 | 160.1 | 0 | 0 | 0 | 112.2 | D208 E212 | D208-L210 PolarHBondContact O-N 3.03Å; L210-E212 PolarHBondContact O-N 3.28Å | ||
| 211 | E | 52 | Low | 51.2 | Low | 110 Ų | 110 | 134.4 Ų | 134.4 | 51% | 0.514 | 74% | 0.743 | S | S | . | * | trans | -79.1 | 96.4 | 166.8 | -76.7 | -159.2 | 158.2 | 0 | 0 | 110.6 | K196 | K196-E211 IonicContact NZ-OE2 2.81Å; K196-E211 PolarHBondContact NZ-OE2 2.93Å | ||
| 212 | E | 50.6 | Low | 51.2 | Low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -80.4 | 122.2 | 169.9 | -159.4 | 165.1 | -144.3 | 0 | 0 | 110.6 | L210 | L210-E212 PolarHBondContact O-N 3.28Š| ||
| 213 | L | 50.2 | Low | 51.4 | Low | 103 Ų | 103 | 138.9 Ų | 138.9 | 54% | 0.539 | 76% | 0.76 | S | S | . | * | trans | -93.1 | 103.6 | 176.1 | -76.2 | 169 | 0 | 0 | 0 | 109.4 | K196 E215 | K196-L213 HydrophobicContact CD-CD2 4.33Å; L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.47Å | ||
| 214 | E | 48.9 | Very low | 52.3 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -69.8 | 85.6 | 166.3 | -72.6 | -172.1 | 156.9 | 0 | 0 | 110.3 | G216 | E214-G216 PolarHBondContact O-N 3.2Š| ||
| 215 | E | 52.8 | Low | 52.8 | Low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | -68 | 107.9 | 155.9 | -66.7 | -164.7 | 166.8 | 0 | 0 | 107.9 | L213 | L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.47Å | ||
| 216 | G | 49.3 | Very low | 54 | Low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | trans | -52.8 | 144.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E214 S218 | E214-G216 PolarHBondContact O-N 3.2Å; G216-S218 PolarHBondContact O-N 3.19Å | ||
| 217 | P | 50.9 | Low | 55.2 | Low | 137 Ų | 137 | 136 Ų | 136 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | -53.9 | 107.5 | -153.1 | 18.7 | -33.3 | 0 | 0 | 0 | 113 | ||||
| 218 | S | 55 | Low | 56.4 | Low | 88 Ų | 88 | 135.2 Ų | 135.2 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | -67.3 | 137.4 | 165.3 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | G216 | G216-S218 PolarHBondContact O-N 3.19Š| ||
| 219 | T | 57.4 | Low | 58.1 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | 61.8 | 90.8 | 166.2 | 59.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 220 | I | 42.2 | Very low | 59.8 | Low | 159 Ų | 159 | 128.2 Ų | 128.2 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | trans | -127.1 | 91.2 | 144.7 | -95.7 | 173.5 | 0 | 0 | 0 | 105.4 | ||||
| 221 | T | 47.5 | Very low | 61.4 | Low | 100 Ų | 100 | 128.2 Ų | 128.2 | 61% | 0.613 | 69% | 0.685 | S | S | * | * | 84.5 | 131.4 | 80.2 | 58.3 | 0 | 0 | 0 | 0 | 115.3 | Y223 | T221-Y223 PolarHBondContact O-N 3.4Š| |||
| 222 | S | 58.2 | Low | 63.1 | Low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 60.9 | -48.3 | 159.3 | 60.5 | 0 | 0 | 0 | 0 | 121.4 | ||
| 223 | Y | 55.5 | Low | 64.9 | Low | 225 Ų | 225 | 126 Ų | 126 | 88% | 0.882 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -143.5 | 27.3 | -172.9 | -52.5 | -75.3 | 0 | 0 | 0 | 115 | T221 | T221-Y223 PolarHBondContact O-N 3.4Š|
| 224 | G | 61.4 | Low | 66.6 | Low | 53 Ų | 53 | 126.5 Ų | 126.5 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -111.7 | 150.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | D226 | G224-D226 PolarHBondContact O-N 2.9Š|
| 225 | L | 64.4 | Low | 68.6 | Low | 170 Ų | 170 | 122.5 Ų | 122.5 | 89% | 0.89 | 66% | 0.657 | S | S | * | * | trans | -55.4 | 120.8 | 180 | -70.4 | 160 | 0 | 0 | 0 | 112.1 | I227 | L225-I227 PolarHBondContact O-N 2.78Š| ||
| 226 | D | 79.3 | Confident | 70.4 | Confident | 113 Ų | 113 | 117 Ų | 117 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | trans | -60.6 | 100.7 | 176.3 | -73.7 | -42.5 | 0 | 0 | 0 | 111.3 | G224 E228 K229 A230 | G224-D226 PolarHBondContact O-N 2.9Å; D226-E228 PolarHBondContact O-N 2.69Å; D226-K229 HydrophobicContact CB-CB 3.62Å; D226-K229 PolarHBondContact O-N 2.91Å; D226-A230 PolarHBondContact O-N 3.49Å | ||
| 227 | I | 78.4 | Confident | 72.4 | Confident | 143 Ų | 143 | 115.3 Ų | 115.3 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.9 | -35.9 | -178.3 | -59.9 | 171.5 | 0 | 0 | 0 | 110.9 | L225 R231 | L225-I227 PolarHBondContact O-N 2.78Å; I227-R231 WeakPolarHBondContact O-CB 3.23Å; I227-R231 PolarHBondContact O-N 2.82Å |
| 228 | E | 80.3 | Confident | 74.3 | Confident | 154 Ų | 154 | 114.1 Ų | 114.1 | 72% | 0.72 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.4 | -40.5 | 176.8 | -59.3 | -156.6 | 150.5 | 0 | 0 | 112.8 | D226 R231 Q232 | D226-E228 PolarHBondContact O-N 2.69Å; E228-R231 PolarHBondContact O-N 2.88Å; E228-Q232 WeakPolarHBondContact O-CG 3.41Å; E228-Q232 PolarHBondContact O-N 3.29Å |
| 229 | K | 86.5 | Confident | 76.1 | Confident | 119 Ų | 119 | 116.5 Ų | 116.5 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68 | -47.7 | 178.2 | -171.5 | -178.9 | 174.5 | -174.2 | 0 | 110.8 | D226 R231 Q232 E233 | D226-K229 HydrophobicContact CB-CB 3.62Å; D226-K229 PolarHBondContact O-N 2.91Å; K229-R231 PolarHBondContact O-N 3.21Å; K229-Q232 WeakPolarHBondContact O-CA 3.48Å; K229-Q232 WeakPolarHBondContact O-CB 3.42Å; K229-Q232 PolarHBondContact O-N 2.85Å; K229-E233 WeakPolarHBondContact CE-OE1 3.29Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.37Å |
| 230 | A | 83.1 | Confident | 77.9 | Confident | 41 Ų | 41 | 116.1 Ų | 116.1 | 34% | 0.339 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -56.5 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D226 Q232 E233 I234 | D226-A230 PolarHBondContact O-N 3.49Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.45Å; A230-E233 PolarHBondContact O-N 2.79Å; A230-I234 VanDerWaalsContact O-CG1 3.31Å; A230-I234 WeakPolarHBondContact O-CG1 3.36Å; A230-I234 PolarHBondContact O-N 3.26Å |
| 231 | R | 85.3 | Confident | 80.2 | Confident | 164 Ų | 164 | 113.3 Ų | 113.3 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.7 | -24.4 | 175.1 | -170.5 | 179.9 | -172.9 | -163.7 | 6.6 | 113.6 | I227 E228 K229 K235 | I227-R231 WeakPolarHBondContact O-CB 3.23Å; I227-R231 PolarHBondContact O-N 2.82Å; E228-R231 PolarHBondContact O-N 2.88Å; K229-R231 PolarHBondContact O-N 3.21Å; R231-K235 VanDerWaalsContact O-CD 3.28Å; R231-K235 WeakPolarHBondContact O-CD 3.22Å; R231-K235 VanDerWaalsContact O-CG 3.22Å; R231-K235 WeakPolarHBondContact O-CG 3.33Å |
| 232 | Q | 88.8 | Confident | 82.4 | Confident | 130 Ų | 130 | 117.2 Ų | 117.2 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.5 | -44 | 170.2 | -70.9 | -179.9 | 30.5 | 0 | 0 | 110.9 | E228 K229 A230 I234 K235 S236 | E228-Q232 WeakPolarHBondContact O-CG 3.41Å; E228-Q232 PolarHBondContact O-N 3.29Å; K229-Q232 WeakPolarHBondContact O-CA 3.48Å; K229-Q232 WeakPolarHBondContact O-CB 3.42Å; K229-Q232 PolarHBondContact O-N 2.85Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.45Å; Q232-I234 PolarHBondContact O-N 2.61Å; Q232-K235 CarbonylContact O-C 3.54Å; Q232-K235 WeakPolarHBondContact O-CA 3.35Å; Q232-K235 WeakPolarHBondContact O-CB 3.25Å; Q232-K235 PolarHBondContact O-N 3.03Å; Q232-S236 PolarHBondContact O-N 3.16Å; Q232-S236 PolarHBondContact O-OG 2.94Å |
| 233 | E | 87.9 | Confident | 84.1 | Confident | 108 Ų | 108 | 119 Ų | 119 | 51% | 0.505 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.3 | -43.3 | 179.2 | -72.5 | 171.3 | -174.5 | 0 | 0 | 112.3 | K229 A230 K235 S236 G237 | K229-E233 WeakPolarHBondContact CE-OE1 3.29Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.37Å; A230-E233 PolarHBondContact O-N 2.79Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 3.38Å; E233-S236 WeakPolarHBondContact CA-OG 3.49Å; E233-S236 PolarHBondContact O-N 3.47Å; E233-S236 PolarHBondContact O-OG 3.31Å; E233-G237 PolarHBondContact O-N 3.03Å |
| 234 | I | 86.4 | Confident | 85.9 | Confident | 114 Ų | 114 | 117 Ų | 117 | 59% | 0.585 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.9 | -39.7 | 172.5 | -67.7 | 166.1 | 0 | 0 | 0 | 111.1 | A230 Q232 G237 D238 | A230-I234 VanDerWaalsContact O-CG1 3.31Å; A230-I234 WeakPolarHBondContact O-CG1 3.36Å; A230-I234 PolarHBondContact O-N 3.26Å; Q232-I234 PolarHBondContact O-N 2.61Å; I234-G237 PolarHBondContact O-N 3.38Å; I234-D238 PolarHBondContact O-N 2.91Å |
| 235 | K | 89.8 | Confident | 87.3 | Confident | 108 Ų | 108 | 121.2 Ų | 121.2 | 47% | 0.47 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.4 | -24.1 | 178.7 | -72.1 | 171.3 | -173.3 | 169.8 | 0 | 113.7 | R231 Q232 E233 K239 | R231-K235 VanDerWaalsContact O-CD 3.28Å; R231-K235 WeakPolarHBondContact O-CD 3.22Å; R231-K235 VanDerWaalsContact O-CG 3.22Å; R231-K235 WeakPolarHBondContact O-CG 3.33Å; Q232-K235 CarbonylContact O-C 3.54Å; Q232-K235 WeakPolarHBondContact O-CA 3.35Å; Q232-K235 WeakPolarHBondContact O-CB 3.25Å; Q232-K235 PolarHBondContact O-N 3.03Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 3.38Å; K235-K239 VanDerWaalsContact O-CD 3.3Å; K235-K239 WeakPolarHBondContact O-CD 3.28Å; K235-K239 VanDerWaalsContact O-CG 3.24Å; K235-K239 WeakPolarHBondContact O-CG 3.14Å |
| 236 | S | 90.3 | Very high | 88.8 | Confident | 46 Ų | 46 | 118.6 Ų | 118.6 | 32% | 0.322 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.7 | -43.7 | 169.2 | 38.8 | 0 | 0 | 0 | 0 | 110.8 | Q232 E233 D238 K239 E240 | Q232-S236 PolarHBondContact O-N 3.16Å; Q232-S236 PolarHBondContact O-OG 2.94Å; E233-S236 WeakPolarHBondContact CA-OG 3.49Å; E233-S236 PolarHBondContact O-N 3.47Å; E233-S236 PolarHBondContact O-OG 3.31Å; S236-D238 PolarHBondContact O-N 2.79Å; S236-K239 WeakPolarHBondContact O-CA 3.21Å; S236-K239 WeakPolarHBondContact O-CB 3.19Å; S236-K239 PolarHBondContact O-N 2.76Å; S236-E240 WeakPolarHBondContact O-CG 3.22Å; S236-E240 PolarHBondContact O-N 3.29Å |
| 237 | G | 92.3 | Very high | 89.5 | Confident | 25 Ų | 25 | 118 Ų | 118 | 26% | 0.258 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -53.1 | -53.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E233 I234 K239 E240 D241 | E233-G237 PolarHBondContact O-N 3.03Å; I234-G237 PolarHBondContact O-N 3.38Å; G237-K239 PolarHBondContact O-N 3.28Å; G237-K239 VanDerWaalsContact O-N 3.12Å; G237-E240 PolarHBondContact O-N 2.93Å; G237-D241 PolarHBondContact O-N 2.92Å |
| 238 | D | 91 | Very high | 90.1 | Very high | 111 Ų | 111 | 115 Ų | 115 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -53.5 | -35.3 | 175.3 | -88.6 | -9 | 0 | 0 | 0 | 113.5 | I234 S236 R242 | I234-D238 PolarHBondContact O-N 2.91Å; S236-D238 PolarHBondContact O-N 2.79Å; D238-R242 WeakPolarHBondContact O-CB 3.14Å; D238-R242 PolarHBondContact O-N 3.29Å |
| 239 | K | 92.6 | Very high | 90.6 | Very high | 139 Ų | 139 | 116.5 Ų | 116.5 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -75.6 | -38.5 | 178.1 | -71.5 | 168.3 | -172.9 | 173 | 0 | 111.4 | K235 S236 G237 K243 | K235-K239 VanDerWaalsContact O-CD 3.3Å; K235-K239 WeakPolarHBondContact O-CD 3.28Å; K235-K239 VanDerWaalsContact O-CG 3.24Å; K235-K239 WeakPolarHBondContact O-CG 3.14Å; S236-K239 WeakPolarHBondContact O-CA 3.21Å; S236-K239 WeakPolarHBondContact O-CB 3.19Å; S236-K239 PolarHBondContact O-N 2.76Å; G237-K239 PolarHBondContact O-N 3.28Å; G237-K239 VanDerWaalsContact O-N 3.12Å; K239-K243 VanDerWaalsContact O-CG 3.29Å; K239-K243 WeakPolarHBondContact O-CG 3.28Å; K239-K243 PolarHBondContact O-N 3.11Å |
| 240 | E | 93.9 | Very high | 91 | Very high | 118 Ų | 118 | 116 Ų | 116 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.6 | -46.5 | -179.2 | -75 | 164.8 | -153.3 | 0 | 0 | 111.2 | S236 G237 R242 K243 R244 | S236-E240 WeakPolarHBondContact O-CG 3.22Å; S236-E240 PolarHBondContact O-N 3.29Å; G237-E240 PolarHBondContact O-N 2.93Å; E240-R242 VanDerWaalsContact C-N 3.3Å; E240-R242 PolarHBondContact O-N 3.4Å; E240-K243 CarbonylContact O-C 3.58Å; E240-K243 WeakPolarHBondContact O-CA 3.38Å; E240-K243 WeakPolarHBondContact O-CB 3.36Å; E240-K243 PolarHBondContact O-N 3.46Å; E240-R244 WeakPolarHBondContact O-CB 3.45Å; E240-R244 PolarHBondContact O-N 3.18Å |
| 241 | D | 92.4 | Very high | 91.4 | Very high | 100 Ų | 100 | 119.6 Ų | 119.6 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 172.6 | -77.8 | -24.9 | 0 | 0 | 0 | 111.5 | G237 K243 R244 F245 | G237-D241 PolarHBondContact O-N 2.92Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.19Å; D241-R244 PolarHBondContact O-N 2.78Å; D241-F245 VanDerWaalsContact O-CB 3.28Å; D241-F245 WeakPolarHBondContact O-CB 3.46Å; D241-F245 PolarHBondContact O-N 3.03Å |
| 242 | R | 92.6 | Very high | 91.7 | Very high | 182 Ų | 182 | 119.5 Ų | 119.5 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -30.2 | 175.2 | -171.1 | 175.2 | -175.8 | -162 | 0.4 | 113.2 | D238 E240 K246 | D238-R242 WeakPolarHBondContact O-CB 3.14Å; D238-R242 PolarHBondContact O-N 3.29Å; E240-R242 VanDerWaalsContact C-N 3.3Å; E240-R242 PolarHBondContact O-N 3.4Å; R242-K246 WeakPolarHBondContact O-CG 3.48Å; R242-K246 PolarHBondContact O-N 3.39Å |
| 243 | K | 94.6 | Very high | 91.7 | Very high | 137 Ų | 137 | 122 Ų | 122 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.5 | -49 | 170.9 | -73.9 | 171 | -175.2 | -179.6 | 0 | 110.5 | K239 E240 D241 F245 K246 L247 | K239-K243 VanDerWaalsContact O-CG 3.29Å; K239-K243 WeakPolarHBondContact O-CG 3.28Å; K239-K243 PolarHBondContact O-N 3.11Å; E240-K243 CarbonylContact O-C 3.58Å; E240-K243 WeakPolarHBondContact O-CA 3.38Å; E240-K243 WeakPolarHBondContact O-CB 3.36Å; E240-K243 PolarHBondContact O-N 3.46Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.19Å; K243-F245 VanDerWaalsContact C-N 3.34Å; K243-F245 PolarHBondContact O-N 3.47Å; K243-K246 WeakPolarHBondContact O-CB 3.36Å; K243-K246 PolarHBondContact O-N 3.11Å; K243-K246 VanDerWaalsContact O-N 3.12Å; K243-L247 WeakPolarHBondContact O-CG 3.27Å; K243-L247 PolarHBondContact O-N 3.44Å |
| 244 | R | 93.2 | Very high | 91.9 | Very high | 183 Ų | 183 | 123.2 Ų | 123.2 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57.9 | -43.5 | 179.2 | -171.5 | 179.4 | -178.3 | -174.6 | 1.8 | 111.9 | E240 D241 K246 L247 L248 | E240-R244 WeakPolarHBondContact O-CB 3.45Å; E240-R244 PolarHBondContact O-N 3.18Å; D241-R244 PolarHBondContact O-N 2.78Å; R244-K246 PolarHBondContact O-N 3.47Å; R244-L247 PolarHBondContact O-N 3.3Å; R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.38Å |
| 245 | F | 91.3 | Very high | 92 | Very high | 141 Ų | 141 | 124.1 Ų | 124.1 | 62% | 0.618 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65 | -36.7 | 176.3 | -175.4 | -95.7 | 0 | 0 | 0 | 113 | D241 K243 R249 | D241-F245 VanDerWaalsContact O-CB 3.28Å; D241-F245 WeakPolarHBondContact O-CB 3.46Å; D241-F245 PolarHBondContact O-N 3.03Å; K243-F245 VanDerWaalsContact C-N 3.34Å; K243-F245 PolarHBondContact O-N 3.47Å; F245-R249 WeakPolarHBondContact O-CB 3.41Å; F245-R249 PolarHBondContact O-N 2.84Å; F245-R249 VanDerWaalsContact O-N 3.08Å |
| 246 | K | 94.6 | Very high | 92 | Very high | 115 Ų | 115 | 126.8 Ų | 126.8 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -50 | 172.4 | -76.5 | 176.2 | 172.9 | -165.3 | 0 | 111.3 | R242 K243 R244 L248 R249 E250 | R242-K246 WeakPolarHBondContact O-CG 3.48Å; R242-K246 PolarHBondContact O-N 3.39Å; K243-K246 WeakPolarHBondContact O-CB 3.36Å; K243-K246 PolarHBondContact O-N 3.11Å; K243-K246 VanDerWaalsContact O-N 3.12Å; R244-K246 PolarHBondContact O-N 3.47Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 2.78Å; K246-R249 WeakPolarHBondContact O-CB 3.48Å; K246-R249 PolarHBondContact O-N 3.4Å; K246-R249 VanDerWaalsContact O-N 3.09Å; K246-E250 WeakPolarHBondContact O-CG 3.37Å; K246-E250 PolarHBondContact O-N 3.2Å |
| 247 | L | 94.1 | Very high | 91.9 | Very high | 99 Ų | 99 | 128.8 Ų | 128.8 | 52% | 0.518 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.9 | -43.9 | 178.6 | -68.5 | 172.5 | 0 | 0 | 0 | 111.6 | K243 R244 R249 E250 Q251 | K243-L247 WeakPolarHBondContact O-CG 3.27Å; K243-L247 PolarHBondContact O-N 3.44Å; R244-L247 PolarHBondContact O-N 3.3Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 2.74Å; L247-E250 PolarHBondContact O-N 3.29Å; L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 WeakPolarHBondContact O-CG 3.48Å; L247-Q251 PolarHBondContact O-N 2.86Å |
| 248 | L | 91.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 130.4 Ų | 130.4 | 43% | 0.429 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.6 | -35.7 | 176.3 | -172.8 | 67.1 | 0 | 0 | 0 | 112.4 | R244 K246 R252 | R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.38Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 2.78Å; L248-R252 WeakPolarHBondContact O-CB 3.37Å; L248-R252 WeakPolarHBondContact O-CG 3.49Å; L248-R252 PolarHBondContact O-N 3.09Å |
| 249 | R | 91.5 | Very high | 91.6 | Very high | 185 Ų | 185 | 133 Ų | 133 | 70% | 0.698 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71 | -35.8 | 175 | -173.6 | 179.6 | -177.4 | -172.5 | 1.5 | 112.2 | F245 K246 L247 R253 | F245-R249 WeakPolarHBondContact O-CB 3.41Å; F245-R249 PolarHBondContact O-N 2.84Å; F245-R249 VanDerWaalsContact O-N 3.08Å; K246-R249 WeakPolarHBondContact O-CB 3.48Å; K246-R249 PolarHBondContact O-N 3.4Å; K246-R249 VanDerWaalsContact O-N 3.09Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 2.74Å; R249-R253 WeakPolarHBondContact O-CB 3.4Å; R249-R253 PolarHBondContact O-N 3.17Å; R249-R253 VanDerWaalsContact O-N 3.13Å |
| 250 | E | 93.1 | Very high | 91.3 | Very high | 107 Ų | 107 | 133.5 Ų | 133.5 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.7 | -44.2 | 175.6 | -75.3 | 162.5 | -166.2 | 0 | 0 | 110.9 | K246 L247 R253 Q254 | K246-E250 WeakPolarHBondContact O-CG 3.37Å; K246-E250 PolarHBondContact O-N 3.2Å; L247-E250 PolarHBondContact O-N 3.29Å; E250-R253 CarbonylContact O-C 3.55Å; E250-R253 WeakPolarHBondContact O-CA 3.34Å; E250-R253 WeakPolarHBondContact O-CB 3.5Å; E250-R253 PolarHBondContact O-N 3.08Å; E250-Q254 WeakPolarHBondContact O-CG 3.49Å; E250-Q254 PolarHBondContact O-N 3.01Å |
| 251 | Q | 92.8 | Very high | 90.7 | Very high | 118 Ų | 118 | 132 Ų | 132 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -56.4 | -51.8 | 170.9 | -76.5 | 177.5 | -19 | 0 | 0 | 111.6 | L247 R253 Q254 E255 | L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 WeakPolarHBondContact O-CG 3.48Å; L247-Q251 PolarHBondContact O-N 2.86Å; Q251-R253 PolarHBondContact O-N 3.2Å; Q251-R253 VanDerWaalsContact O-N 3.14Å; Q251-Q254 CarbonylContact O-C 3.59Å; Q251-Q254 PolarHBondContact O-N 3.13Å; Q251-Q254 VanDerWaalsContact O-N 3.07Å; Q251-E255 WeakPolarHBondContact O-CB 3.31Å; Q251-E255 PolarHBondContact O-N 3.07Å |
| 252 | R | 91 | Very high | 90.2 | Very high | 161 Ų | 161 | 134.7 Ų | 134.7 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.2 | -24.2 | 175.1 | -77.8 | -179.5 | 172.3 | -172 | -1.9 | 113.9 | L248 K256 | L248-R252 WeakPolarHBondContact O-CB 3.37Å; L248-R252 WeakPolarHBondContact O-CG 3.49Å; L248-R252 PolarHBondContact O-N 3.09Å; R252-K256 VanDerWaalsContact O-CG 3.27Å; R252-K256 WeakPolarHBondContact O-CG 3.35Å; R252-K256 PolarHBondContact O-N 3.39Å |
| 253 | R | 89.1 | Confident | 89.5 | Confident | 183 Ų | 183 | 133.4 Ų | 133.4 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.9 | -42.3 | 173.7 | -174.2 | -179.3 | 179.7 | -177.5 | -0.4 | 111 | R249 E250 Q251 K256 L257 | R249-R253 WeakPolarHBondContact O-CB 3.4Å; R249-R253 PolarHBondContact O-N 3.17Å; R249-R253 VanDerWaalsContact O-N 3.13Å; E250-R253 CarbonylContact O-C 3.55Å; E250-R253 WeakPolarHBondContact O-CA 3.34Å; E250-R253 WeakPolarHBondContact O-CB 3.5Å; E250-R253 PolarHBondContact O-N 3.08Å; Q251-R253 PolarHBondContact O-N 3.2Å; Q251-R253 VanDerWaalsContact O-N 3.14Å; R253-K256 PolarHBondContact O-N 3.14Å; R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 VanDerWaalsContact O-CG 3.31Å; R253-L257 WeakPolarHBondContact O-CG 3.38Å; R253-L257 PolarHBondContact O-N 3.05Å |
| 254 | Q | 91.1 | Very high | 88.8 | Confident | 133 Ų | 133 | 129 Ų | 129 | 62% | 0.621 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.3 | -44.4 | 174.9 | -73.9 | 176.3 | -20.8 | 0 | 0 | 111.4 | E250 Q251 K256 L257 A258 | E250-Q254 WeakPolarHBondContact O-CG 3.49Å; E250-Q254 PolarHBondContact O-N 3.01Å; Q251-Q254 CarbonylContact O-C 3.59Å; Q251-Q254 PolarHBondContact O-N 3.13Å; Q251-Q254 VanDerWaalsContact O-N 3.07Å; Q254-K256 PolarHBondContact O-N 2.81Å; Q254-L257 CarbonylContact O-C 3.5Å; Q254-L257 PolarHBondContact O-N 3.05Å; Q254-L257 VanDerWaalsContact O-N 3.11Å; Q254-A258 WeakPolarHBondContact O-CB 3.41Å; Q254-A258 PolarHBondContact O-N 3.05Å |
| 255 | E | 90.3 | Very high | 87.9 | Confident | 134 Ų | 134 | 125.8 Ų | 125.8 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.9 | -44.8 | 174.7 | -174.3 | -167.3 | 172 | 0 | 0 | 111.9 | Q251 L257 A258 K259 | Q251-E255 WeakPolarHBondContact O-CB 3.31Å; Q251-E255 PolarHBondContact O-N 3.07Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.42Å; E255-A258 PolarHBondContact O-N 2.81Å; E255-K259 WeakPolarHBondContact O-CB 3.44Å; E255-K259 PolarHBondContact O-N 3.06Å |
| 256 | K | 88 | Confident | 86.8 | Confident | 164 Ų | 164 | 123.3 Ų | 123.3 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.1 | -33.6 | 174.8 | -76.3 | -177.6 | 179.4 | -160.2 | 0 | 113.2 | R252 R253 Q254 K260 | R252-K256 VanDerWaalsContact O-CG 3.27Å; R252-K256 WeakPolarHBondContact O-CG 3.35Å; R252-K256 PolarHBondContact O-N 3.39Å; R253-K256 PolarHBondContact O-N 3.14Å; Q254-K256 PolarHBondContact O-N 2.81Å; K256-K260 WeakPolarHBondContact O-CB 3.44Å; K256-K260 PolarHBondContact O-N 2.84Å; K256-K260 VanDerWaalsContact O-N 3.16Å |
| 257 | L | 88.4 | Confident | 85.3 | Confident | 88 Ų | 88 | 123.2 Ų | 123.2 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.2 | -43.4 | 174.4 | -72.6 | 165.2 | 0 | 0 | 0 | 111 | R253 Q254 E255 K260 N261 | R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 VanDerWaalsContact O-CG 3.31Å; R253-L257 WeakPolarHBondContact O-CG 3.38Å; R253-L257 PolarHBondContact O-N 3.05Å; Q254-L257 CarbonylContact O-C 3.5Å; Q254-L257 PolarHBondContact O-N 3.05Å; Q254-L257 VanDerWaalsContact O-N 3.11Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.42Å; L257-K260 CarbonylContact O-C 3.59Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 3.49Å; L257-K260 VanDerWaalsContact O-N 3.11Å; L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 PolarHBondContact O-N 3.39Å; L257-N261 PolarHBondContact O-OD1 3.41Å |
| 258 | A | 90.4 | Very high | 83.5 | Confident | 59 Ų | 59 | 125.3 Ų | 125.3 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q254 E255 K260 N261 R262 | Q254-A258 WeakPolarHBondContact O-CB 3.41Å; Q254-A258 PolarHBondContact O-N 3.05Å; E255-A258 PolarHBondContact O-N 2.81Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 PolarHBondContact O-N 3.12Å; A258-N261 PolarHBondContact O-N 2.89Å; A258-R262 WeakPolarHBondContact O-CB 3.33Å; A258-R262 PolarHBondContact O-N 2.96Å |
| 259 | K | 86.4 | Confident | 81.8 | Confident | 166 Ų | 166 | 124.7 Ų | 124.7 | 72% | 0.722 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.6 | -30.9 | 173.3 | -174.1 | 168.5 | -176.7 | 170.2 | 0 | 112.7 | E255 R263 | E255-K259 WeakPolarHBondContact O-CB 3.44Å; E255-K259 PolarHBondContact O-N 3.06Å; K259-R263 WeakPolarHBondContact O-CB 3.42Å; K259-R263 PolarHBondContact O-N 3.05Å |
| 260 | K | 86.6 | Confident | 79.9 | Confident | 148 Ų | 148 | 121.9 Ų | 121.9 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.6 | -43.7 | 173 | -169.5 | -166.9 | 172.5 | -161.9 | 0 | 111.4 | K256 L257 A258 R263 A264 | K256-K260 WeakPolarHBondContact O-CB 3.44Å; K256-K260 PolarHBondContact O-N 2.84Å; K256-K260 VanDerWaalsContact O-N 3.16Å; L257-K260 CarbonylContact O-C 3.59Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 3.49Å; L257-K260 VanDerWaalsContact O-N 3.11Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 PolarHBondContact O-N 3.12Å; K260-R263 PolarHBondContact O-N 2.82Å; K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.34Å |
| 261 | N | 81.7 | Confident | 77.6 | Confident | 87 Ų | 87 | 124.6 Ų | 124.6 | 47% | 0.465 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.7 | -47.1 | 178.6 | -76.1 | 27.1 | 0 | 0 | 0 | 110.9 | L257 A258 R263 A264 E265 | L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 PolarHBondContact O-N 3.39Å; L257-N261 PolarHBondContact O-OD1 3.41Å; A258-N261 PolarHBondContact O-N 2.89Å; N261-R263 VanDerWaalsContact C-N 3.26Å; N261-R263 PolarHBondContact O-N 3.35Å; N261-A264 CarbonylContact O-C 3.56Å; N261-A264 WeakPolarHBondContact O-CA 3.38Å; N261-A264 WeakPolarHBondContact O-CB 3.28Å; N261-A264 PolarHBondContact O-N 3.1Å; N261-E265 WeakPolarHBondContact O-CB 3.34Å; N261-E265 WeakPolarHBondContact O-CG 3.45Å; N261-E265 PolarHBondContact O-N 3.32Å |
| 262 | R | 80.8 | Confident | 75.5 | Confident | 157 Ų | 157 | 129.1 Ų | 129.1 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -57.8 | -40.1 | 175.3 | -156.5 | -167.8 | 82.6 | 171.8 | 16 | 111.8 | A258 E265 E266 | A258-R262 WeakPolarHBondContact O-CB 3.33Å; A258-R262 PolarHBondContact O-N 2.96Å; R262-E265 PolarHBondContact O-N 3.08Å; R262-E266 IonicContact CZ-OE1 2.78Å; R262-E266 IonicContact NE-OE1 2.6Å; R262-E266 PolarHBondContact NE-OE1 3.4Å; R262-E266 IonicContact NH2-OE1 2.69Å; R262-E266 PolarHBondContact NH2-OE1 3.27Å; R262-E266 VanDerWaalsContact O-CB 3.28Å; R262-E266 WeakPolarHBondContact O-CB 3.34Å; R262-E266 WeakPolarHBondContact O-CG 3.29Å; R262-E266 PolarHBondContact O-N 3.16Å |
| 263 | R | 79.7 | Confident | 73 | Confident | 155 Ų | 155 | 128.4 Ų | 128.4 | 59% | 0.585 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.5 | -34.9 | 172.9 | 178.9 | 176.5 | 167.7 | 156.7 | 8.8 | 112.9 | K259 K260 N261 E267 | K259-R263 WeakPolarHBondContact O-CB 3.42Å; K259-R263 PolarHBondContact O-N 3.05Å; K260-R263 PolarHBondContact O-N 2.82Å; N261-R263 VanDerWaalsContact C-N 3.26Å; N261-R263 PolarHBondContact O-N 3.35Å; R263-E267 IonicContact CZ-OE1 2.88Å; R263-E267 VanDerWaalsContact CZ-OE1 3.27Å; R263-E267 IonicContact NE-OE1 3.13Å; R263-E267 PolarHBondContact NE-OE1 3Å; R263-E267 IonicContact NH2-OE1 2.75Å; R263-E267 PolarHBondContact NH2-OE1 3.12Å; R263-E267 WeakPolarHBondContact O-CB 3.39Å; R263-E267 VanDerWaalsContact O-CG 3.25Å; R263-E267 WeakPolarHBondContact O-CG 3.42Å; R263-E267 PolarHBondContact O-N 3.16Å |
| 264 | A | 79.4 | Confident | 71 | Confident | 44 Ų | 44 | 129.4 Ų | 129.4 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | K260 N261 E267 E268 | K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.34Å; N261-A264 CarbonylContact O-C 3.56Å; N261-A264 WeakPolarHBondContact O-CA 3.38Å; N261-A264 WeakPolarHBondContact O-CB 3.28Å; N261-A264 PolarHBondContact O-N 3.1Å; A264-E267 CarbonylContact O-C 3.57Å; A264-E267 PolarHBondContact O-N 3.22Å; A264-E268 WeakPolarHBondContact O-CB 3.45Å; A264-E268 PolarHBondContact O-N 2.83Å |
| 265 | E | 74.1 | Confident | 68.4 | Low | 115 Ų | 115 | 130.4 Ų | 130.4 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67 | -39.3 | 172.4 | -70 | 158.4 | -161.2 | 0 | 0 | 110.8 | N261 R262 E268 A269 | N261-E265 WeakPolarHBondContact O-CB 3.34Å; N261-E265 WeakPolarHBondContact O-CG 3.45Å; N261-E265 PolarHBondContact O-N 3.32Å; R262-E265 PolarHBondContact O-N 3.08Å; E265-E268 PolarHBondContact O-N 3.05Å; E265-A269 WeakPolarHBondContact O-CB 3.5Å; E265-A269 PolarHBondContact O-N 3.36Å |
| 266 | E | 68 | Low | 66.3 | Low | 89 Ų | 89 | 127.5 Ų | 127.5 | 42% | 0.416 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -63.3 | -37.6 | 169 | -74.6 | 161.1 | -169.3 | 0 | 0 | 111.9 | R262 V270 | R262-E266 IonicContact CZ-OE1 2.78Å; R262-E266 IonicContact NE-OE1 2.6Å; R262-E266 PolarHBondContact NE-OE1 3.4Å; R262-E266 IonicContact NH2-OE1 2.69Å; R262-E266 PolarHBondContact NH2-OE1 3.27Å; R262-E266 VanDerWaalsContact O-CB 3.28Å; R262-E266 WeakPolarHBondContact O-CB 3.34Å; R262-E266 WeakPolarHBondContact O-CG 3.29Å; R262-E266 PolarHBondContact O-N 3.16Å; E266-V270 WeakPolarHBondContact O-CG2 3.14Å |
| 267 | E | 63.5 | Low | 63.9 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 53% | 0.528 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.6 | -29.8 | 176.6 | -75.9 | 169.5 | -174.3 | 0 | 0 | 112.4 | R263 A264 | R263-E267 IonicContact CZ-OE1 2.88Å; R263-E267 VanDerWaalsContact CZ-OE1 3.27Å; R263-E267 IonicContact NE-OE1 3.13Å; R263-E267 PolarHBondContact NE-OE1 3Å; R263-E267 IonicContact NH2-OE1 2.75Å; R263-E267 PolarHBondContact NH2-OE1 3.12Å; R263-E267 WeakPolarHBondContact O-CB 3.39Å; R263-E267 VanDerWaalsContact O-CG 3.25Å; R263-E267 WeakPolarHBondContact O-CG 3.42Å; R263-E267 PolarHBondContact O-N 3.16Å; A264-E267 CarbonylContact O-C 3.57Å; A264-E267 PolarHBondContact O-N 3.22Å |
| 268 | E | 56.5 | Low | 61.9 | Low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -82.2 | -36.8 | 178.7 | -175.1 | 172.3 | -176 | 0 | 0 | 112.3 | A264 E265 V270 E271 | A264-E268 WeakPolarHBondContact O-CB 3.45Å; A264-E268 PolarHBondContact O-N 2.83Å; E265-E268 PolarHBondContact O-N 3.05Å; E268-V270 PolarHBondContact O-N 3.04Å; E268-E271 PolarHBondContact O-N 3.4Å |
| 269 | A | 55.5 | Low | 59.8 | Low | 70 Ų | 70 | 133.8 Ų | 133.8 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.1 | -22.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E265 E271 | E265-A269 WeakPolarHBondContact O-CB 3.5Å; E265-A269 PolarHBondContact O-N 3.36Å; A269-E271 VanDerWaalsContact C-N 3.34Å |
| 270 | V | 50.5 | Low | 58.6 | Low | 125 Ų | 125 | 133.8 Ų | 133.8 | 76% | 0.758 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -6.1 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | E266 E268 | E266-V270 WeakPolarHBondContact O-CG2 3.14Å; E268-V270 PolarHBondContact O-N 3.04Å |
| 271 | E | 46.8 | Very low | 57.5 | Low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -2.5 | 177.3 | -164.5 | 164.6 | -172.1 | 0 | 0 | 113.6 | E268 A269 | E268-E271 PolarHBondContact O-N 3.4Å; A269-E271 VanDerWaalsContact C-N 3.34Å |
| 272 | Y | 48.2 | Very low | 56.9 | Low | 212 Ų | 212 | 133.8 Ų | 133.8 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -141 | 17.6 | -170.3 | -115.8 | -79.6 | 0 | 0 | 0 | 119.4 | ||
| 273 | D | 37.7 | Very low | 56.1 | Low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -123.7 | 95 | 166.1 | -100.5 | -57.3 | 0 | 0 | 0 | 112.3 | ||||
| 274 | E | 47.8 | Very low | 55.8 | Low | 203 Ų | 203 | 128.6 Ų | 128.6 | 95% | 0.949 | 69% | 0.692 | S | S | * | * | trans | -107.5 | 72.4 | 156.6 | -172.8 | 178 | 178 | 0 | 0 | 108.3 | ||||
| 275 | D | 36.2 | Very low | 55.5 | Low | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -151.5 | 154.3 | 149 | -157.6 | 4.2 | 0 | 0 | 0 | 109.9 | ||
| 276 | G | 46.9 | Very low | 55.7 | Low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -87.1 | 130.4 | -157 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 277 | S | 36.9 | Very low | 56 | Low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -144.1 | 143.4 | 142 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | D279 | S277-D279 PolarHBondContact O-N 3.43Š| ||
| 278 | E | 45.3 | Very low | 56.7 | Low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | -72.2 | 95 | 178.1 | -66.6 | 176.2 | 140.8 | 0 | 0 | 110 | E280 | E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.37Å | ||
| 279 | D | 46.5 | Very low | 57.5 | Low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -68.8 | 88.4 | 168.9 | -85.3 | -47.4 | 0 | 0 | 0 | 110.1 | S277 | S277-D279 PolarHBondContact O-N 3.43Š| ||
| 280 | E | 61.3 | Low | 58.5 | Low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -59.3 | 134.1 | 162.4 | -67.8 | -169.1 | 150.5 | 0 | 0 | 109.3 | E278 | E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.37Å | ||
| 281 | P | 63.3 | Low | 59.9 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | trans | -63.5 | 144.7 | -179.5 | 26.4 | -34.2 | 0 | 0 | 0 | 111.1 | I283 | P281-I283 HydrophobicContact CG-CD1 4.43Å; P281-I283 HydrophobicContact CG-CG1 4.38Å; P281-I283 VanDerWaalsContact O-CD1 3.31Å; P281-I283 WeakPolarHBondContact O-CD1 3.42Å; P281-I283 VanDerWaalsContact O-CG1 3.23Å; P281-I283 WeakPolarHBondContact O-CG1 3.47Å; P281-I283 PolarHBondContact O-N 3.31Å | ||
| 282 | D | 69.9 | Low | 61 | Low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | -66.6 | 98.3 | 175 | -178.6 | 4.5 | 0 | 0 | 0 | 110.9 | S284 | D282-S284 VanDerWaalsContact C-N 3.27Å; D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 3.03Å; D282-S284 PolarHBondContact OD1-OG 3.42Å; D282-S284 PolarHBondContact OD2-OG 3.09Å | ||
| 283 | I | 64.8 | Low | 62.2 | Low | 102 Ų | 102 | 128.4 Ų | 128.4 | 52% | 0.523 | 69% | 0.693 | S | S | . | * | trans | -84.7 | 3.5 | -177.8 | -59.7 | 137.2 | 0 | 0 | 0 | 111.5 | P281 W285 L286 | P281-I283 HydrophobicContact CG-CD1 4.43Å; P281-I283 HydrophobicContact CG-CG1 4.38Å; P281-I283 VanDerWaalsContact O-CD1 3.31Å; P281-I283 WeakPolarHBondContact O-CD1 3.42Å; P281-I283 VanDerWaalsContact O-CG1 3.23Å; P281-I283 WeakPolarHBondContact O-CG1 3.47Å; P281-I283 PolarHBondContact O-N 3.31Å; I283-W285 PolarHBondContact O-N 3.16Å; I283-L286 HydrophobicContact CG2-CB 3.74Å; I283-L286 HydrophobicContact CG2-CD2 4.09Å; I283-L286 HydrophobicContact CG2-CG 4.47Å; I283-L286 WeakPolarHBondContact O-CB 3.21Å; I283-L286 PolarHBondContact O-N 3.17Å | ||
| 284 | S | 72.4 | Confident | 64 | Low | 100 Ų | 100 | 127.7 Ų | 127.7 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -8.8 | -176.7 | 67 | 0 | 0 | 0 | 0 | 115.8 | D282 | D282-S284 VanDerWaalsContact C-N 3.27Å; D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 3.03Å; D282-S284 PolarHBondContact OD1-OG 3.42Å; D282-S284 PolarHBondContact OD2-OG 3.09Å |
| 285 | W | 72.5 | Confident | 65.1 | Low | 248 Ų | 248 | 125.2 Ų | 125.2 | 94% | 0.939 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -17.1 | 170.3 | -171.8 | 13.2 | 0 | 0 | 0 | 113.2 | I283 | I283-W285 PolarHBondContact O-N 3.16Š|
| 286 | L | 79.5 | Confident | 66.6 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 63% | 0.634 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -76 | 136.2 | 177.4 | -130.2 | 73.5 | 0 | 0 | 0 | 110.3 | I283 D288 | I283-L286 HydrophobicContact CG2-CB 3.74Å; I283-L286 HydrophobicContact CG2-CD2 4.09Å; I283-L286 HydrophobicContact CG2-CG 4.47Å; I283-L286 WeakPolarHBondContact O-CB 3.21Å; I283-L286 PolarHBondContact O-N 3.17Å; L286-D288 PolarHBondContact O-N 2.96Å |
| 287 | P | 73.8 | Confident | 67.6 | Low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124.6 | 173.4 | -21.4 | 33.2 | 0 | 0 | 0 | 111.4 | P289 | P287-P289 WeakPolarHBondContact O-CD 3.4Š|
| 288 | D | 77.4 | Confident | 68.8 | Low | 109 Ų | 109 | 132.8 Ų | 132.8 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 118.2 | -179.7 | -78.2 | -20.7 | 0 | 0 | 0 | 112 | L286 D290 A291 V292 | L286-D288 PolarHBondContact O-N 2.96Å; D288-D290 VanDerWaalsContact C-N 3.25Å; D288-D290 PolarHBondContact O-N 3.37Å; D288-A291 HydrophobicContact CB-CB 3.79Å; D288-A291 WeakPolarHBondContact O-CB 3.34Å; D288-A291 PolarHBondContact O-N 3.05Å; D288-V292 PolarHBondContact O-N 2.96Å |
| 289 | P | 74.4 | Confident | 69.6 | Low | 94 Ų | 94 | 130.4 Ų | 130.4 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.2 | -31.5 | -178.9 | 24.7 | -33.1 | 0 | 0 | 0 | 112.3 | P287 A291 V292 R293 | P287-P289 WeakPolarHBondContact O-CD 3.4Å; P289-A291 VanDerWaalsContact C-N 3.32Å; P289-A291 PolarHBondContact O-N 3.05Å; P289-V292 WeakPolarHBondContact O-CB 3.31Å; P289-V292 PolarHBondContact O-N 3.43Å; P289-R293 PolarHBondContact O-N 2.91Å |
| 290 | D | 76.8 | Confident | 70.2 | Confident | 99 Ų | 99 | 128.1 Ų | 128.1 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.1 | -15.6 | 177 | -71.7 | -18.9 | 0 | 0 | 0 | 113.6 | D288 V292 R294 | D288-D290 VanDerWaalsContact C-N 3.25Å; D288-D290 PolarHBondContact O-N 3.37Å; D290-V292 VanDerWaalsContact C-N 3.34Å; D290-R294 PolarHBondContact O-N 2.93Å; D290-R294 PolarHBondContact O-NE 3.02Å |
| 291 | A | 78.8 | Confident | 70 | Confident | 40 Ų | 40 | 125.5 Ų | 125.5 | 33% | 0.331 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -75.7 | -27.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D288 P289 | D288-A291 HydrophobicContact CB-CB 3.79Å; D288-A291 WeakPolarHBondContact O-CB 3.34Å; D288-A291 PolarHBondContact O-N 3.05Å; P289-A291 VanDerWaalsContact C-N 3.32Å; P289-A291 PolarHBondContact O-N 3.05Å |
| 292 | V | 71.5 | Confident | 69.7 | Low | 77 Ų | 77 | 128.1 Ų | 128.1 | 47% | 0.467 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -74.1 | -42.1 | 172.2 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | D288 P289 D290 K295 Y296 | D288-V292 PolarHBondContact O-N 2.96Å; P289-V292 WeakPolarHBondContact O-CB 3.31Å; P289-V292 PolarHBondContact O-N 3.43Å; D290-V292 VanDerWaalsContact C-N 3.34Å; V292-K295 PolarHBondContact O-N 3.49Å; V292-Y296 HydrophobicContact CG1-CD2 4.14Å; V292-Y296 HydrophobicContact CG1-CE2 3.66Å; V292-Y296 VanDerWaalsContact O-CD2 3.22Å; V292-Y296 WeakPolarHBondContact O-CD2 3.47Å; V292-Y296 PolarHBondContact O-N 2.87Å |
| 293 | R | 71.9 | Confident | 69.1 | Low | 176 Ų | 176 | 126 Ų | 126 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.3 | -47.8 | 176.6 | -71.9 | -177 | 171.6 | -157.4 | -2.3 | 113.1 | P289 K295 Y296 E297 | P289-R293 PolarHBondContact O-N 2.91Å; R293-K295 PolarHBondContact O-N 3.21Å; R293-Y296 WeakPolarHBondContact O-CA 3.22Å; R293-Y296 PolarHBondContact O-N 3.45Å; R293-E297 PolarHBondContact O-N 2.6Å |
| 294 | R | 75.9 | Confident | 68.8 | Low | 132 Ų | 132 | 126.8 Ų | 126.8 | 50% | 0.498 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -57.6 | -33 | 177.6 | -81.3 | 177.3 | -77.1 | 163.7 | -9.1 | 113.5 | D290 Y296 E297 E298 | D290-R294 PolarHBondContact O-N 2.93Å; D290-R294 PolarHBondContact O-NE 3.02Å; R294-Y296 VanDerWaalsContact C-N 3.33Å; R294-Y296 PolarHBondContact O-N 2.95Å; R294-E297 PolarHBondContact O-N 3.36Å; R294-E298 WeakPolarHBondContact O-CB 3.49Å; R294-E298 WeakPolarHBondContact O-CG 3.4Å; R294-E298 PolarHBondContact O-N 3.13Å |
| 295 | K | 72 | Confident | 68.2 | Low | 151 Ų | 151 | 127.1 Ų | 127.1 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.4 | -33 | 173.3 | -77.7 | -172.9 | 174.3 | -171 | 0 | 113.9 | V292 R293 E299 | V292-K295 PolarHBondContact O-N 3.49Å; R293-K295 PolarHBondContact O-N 3.21Å; K295-E299 PolarHBondContact O-N 3.01Å |
| 296 | Y | 67 | Low | 67.6 | Low | 172 Ų | 172 | 120.7 Ų | 120.7 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -83.6 | -17 | 175.3 | -66.7 | -65.7 | 0 | 0 | 0 | 112.9 | V292 R293 R294 | V292-Y296 HydrophobicContact CG1-CD2 4.14Å; V292-Y296 HydrophobicContact CG1-CE2 3.66Å; V292-Y296 VanDerWaalsContact O-CD2 3.22Å; V292-Y296 WeakPolarHBondContact O-CD2 3.47Å; V292-Y296 PolarHBondContact O-N 2.87Å; R293-Y296 WeakPolarHBondContact O-CA 3.22Å; R293-Y296 PolarHBondContact O-N 3.45Å; R294-Y296 VanDerWaalsContact C-N 3.33Å; R294-Y296 PolarHBondContact O-N 2.95Å |
| 297 | E | 68.5 | Low | 66.8 | Low | 155 Ų | 155 | 121.6 Ų | 121.6 | 72% | 0.724 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -86.1 | -25.2 | 169.8 | -71.7 | 176.7 | 138.8 | 0 | 0 | 113 | R293 R294 | R293-E297 PolarHBondContact O-N 2.6Å; R294-E297 PolarHBondContact O-N 3.36Å |
| 298 | E | 61.5 | Low | 66.5 | Low | 159 Ų | 159 | 122 Ų | 122 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -89.3 | -12.8 | 178.4 | -74.5 | -179.9 | 175.3 | 0 | 0 | 113.9 | R294 P300 | R294-E298 WeakPolarHBondContact O-CB 3.49Å; R294-E298 WeakPolarHBondContact O-CG 3.4Å; R294-E298 PolarHBondContact O-N 3.13Å; E298-P300 VanDerWaalsContact O-CD 3.28Å; E298-P300 WeakPolarHBondContact O-CD 3.5Å |
| 299 | E | 61 | Low | 66.1 | Low | 142 Ų | 142 | 123.2 Ų | 123.2 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -80.8 | 108.8 | 161.5 | -75.1 | -171.5 | 177.9 | 0 | 0 | 108 | K295 D301 | K295-E299 PolarHBondContact O-N 3.01Å; E299-D301 PolarHBondContact O-N 3.34Å |
| 300 | P | 59.3 | Low | 65.8 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | trans | -66.6 | 133.4 | 178.1 | 28.2 | -34 | 0 | 0 | 0 | 109.8 | E298 E302 | E298-P300 VanDerWaalsContact O-CD 3.28Å; E298-P300 WeakPolarHBondContact O-CD 3.5Å; P300-E302 VanDerWaalsContact C-N 3.28Å; P300-E302 PolarHBondContact O-N 3.27Å | ||
| 301 | D | 58.4 | Low | 65.5 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | trans | -64.5 | 82.7 | 175.3 | -79.4 | -57.6 | 0 | 0 | 0 | 111.4 | E299 V303 E304 | E299-D301 PolarHBondContact O-N 3.34Å; D301-V303 HydrophobicContact CB-CG2 3.89Å; D301-V303 PolarHBondContact O-N 3.35Å; D301-E304 HydrophobicContact CB-CG 4.28Å; D301-E304 PolarHBondContact O-N 3.45Å | ||
| 302 | E | 56.5 | Low | 65.2 | Low | 156 Ų | 156 | 123.2 Ų | 123.2 | 73% | 0.729 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.3 | -13.9 | 172.5 | -65.4 | -169.3 | 157.9 | 0 | 0 | 112.5 | P300 L306 | P300-E302 VanDerWaalsContact C-N 3.28Å; P300-E302 PolarHBondContact O-N 3.27Å; E302-L306 WeakPolarHBondContact O-CD1 3.19Å; E302-L306 VanDerWaalsContact O-CG 3.29Å; E302-L306 WeakPolarHBondContact O-CG 3.24Å |
| 303 | V | 57 | Low | 65 | Low | 91 Ų | 91 | 123.2 Ų | 123.2 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.1 | -35.9 | 175.6 | -67.3 | 0 | 0 | 0 | 0 | 113.9 | D301 L306 E307 | D301-V303 HydrophobicContact CB-CG2 3.89Å; D301-V303 PolarHBondContact O-N 3.35Å; V303-L306 PolarHBondContact O-N 2.98Å; V303-E307 PolarHBondContact O-N 2.88Å; V303-E307 VanDerWaalsContact O-N 3.14Å |
| 304 | E | 58 | Low | 64.8 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 55% | 0.547 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.7 | -39.4 | -178.5 | -69 | -156.4 | 157.4 | 0 | 0 | 111.8 | D301 L306 E307 Q308 | D301-E304 HydrophobicContact CB-CG 4.28Å; D301-E304 PolarHBondContact O-N 3.45Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 2.98Å; E304-E307 PolarHBondContact O-N 3.28Å; E304-Q308 WeakPolarHBondContact O-CB 3.43Å; E304-Q308 WeakPolarHBondContact O-CG 3.42Å; E304-Q308 PolarHBondContact O-N 3.07Å |
| 305 | D | 60.9 | Low | 64 | Low | 107 Ų | 107 | 118.8 Ų | 118.8 | 57% | 0.572 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.4 | -34.5 | 175.8 | -88.1 | -27 | 0 | 0 | 0 | 112 | Q309 | D305-Q309 WeakPolarHBondContact O-CB 3.49Å; D305-Q309 VanDerWaalsContact O-CG 3.29Å; D305-Q309 WeakPolarHBondContact O-CG 3.35Å; D305-Q309 PolarHBondContact O-N 2.81Å |
| 306 | L | 59.4 | Low | 63.2 | Low | 113 Ų | 113 | 121.8 Ų | 121.8 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.8 | -41 | 176.2 | -72.2 | 171.4 | 0 | 0 | 0 | 112.2 | E302 V303 E304 A310 | E302-L306 WeakPolarHBondContact O-CD1 3.19Å; E302-L306 VanDerWaalsContact O-CG 3.29Å; E302-L306 WeakPolarHBondContact O-CG 3.24Å; V303-L306 PolarHBondContact O-N 2.98Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 2.98Å; L306-A310 WeakPolarHBondContact O-CB 3.3Å; L306-A310 PolarHBondContact O-N 2.93Å |
| 307 | E | 62.5 | Low | 62.4 | Low | 140 Ų | 140 | 127.1 Ų | 127.1 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.1 | -40.3 | 174.7 | -70.9 | -161.8 | 155.7 | 0 | 0 | 111.9 | V303 E304 A310 L311 | V303-E307 PolarHBondContact O-N 2.88Å; V303-E307 VanDerWaalsContact O-N 3.14Å; E304-E307 PolarHBondContact O-N 3.28Å; E307-A310 PolarHBondContact O-N 2.98Å; E307-L311 WeakPolarHBondContact O-CB 3.41Å; E307-L311 PolarHBondContact O-N 2.94Å |
| 308 | Q | 67.7 | Low | 62 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.5 | -39.6 | 175.6 | -70.1 | -176.7 | 47.3 | 0 | 0 | 112.2 | E304 A312 | E304-Q308 WeakPolarHBondContact O-CB 3.43Å; E304-Q308 WeakPolarHBondContact O-CG 3.42Å; E304-Q308 PolarHBondContact O-N 3.07Å; Q308-A312 VanDerWaalsContact O-CB 3.28Å; Q308-A312 WeakPolarHBondContact O-CB 3.28Å; Q308-A312 PolarHBondContact O-N 3.3Å |
| 309 | Q | 68.4 | Low | 62.1 | Low | 135 Ų | 135 | 124 Ų | 124 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.7 | -40.5 | 171.7 | -78.3 | -175.6 | 28.6 | 0 | 0 | 112.3 | D305 A312 A313 | D305-Q309 WeakPolarHBondContact O-CB 3.49Å; D305-Q309 VanDerWaalsContact O-CG 3.29Å; D305-Q309 WeakPolarHBondContact O-CG 3.35Å; D305-Q309 PolarHBondContact O-N 2.81Å; Q309-A312 PolarHBondContact O-N 2.89Å; Q309-A313 WeakPolarHBondContact O-CB 3.19Å; Q309-A313 PolarHBondContact O-N 3.21Å |
| 310 | A | 68.6 | Low | 62.1 | Low | 51 Ų | 51 | 123 Ų | 123 | 42% | 0.421 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.9 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L306 E307 A312 A313 L314 | L306-A310 WeakPolarHBondContact O-CB 3.3Å; L306-A310 PolarHBondContact O-N 2.93Å; E307-A310 PolarHBondContact O-N 2.98Å; A310-A312 PolarHBondContact O-N 2.92Å; A310-A313 PolarHBondContact O-N 3.01Å; A310-L314 WeakPolarHBondContact O-CD1 3.39Å; A310-L314 PolarHBondContact O-N 3.18Å |
| 311 | L | 70.8 | Confident | 62.3 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.1 | -41.9 | 174.9 | -91.4 | 154.7 | 0 | 0 | 0 | 112.4 | E307 A313 L314 G315 | E307-L311 WeakPolarHBondContact O-CB 3.41Å; E307-L311 PolarHBondContact O-N 2.94Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.27Å; L311-L314 PolarHBondContact O-N 3.12Å; L311-G315 PolarHBondContact O-N 2.94Å |
| 312 | A | 71.8 | Confident | 62.6 | Low | 55 Ų | 55 | 125 Ų | 125 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.9 | -25.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q308 Q309 A310 | Q308-A312 VanDerWaalsContact O-CB 3.28Å; Q308-A312 WeakPolarHBondContact O-CB 3.28Å; Q308-A312 PolarHBondContact O-N 3.3Å; Q309-A312 PolarHBondContact O-N 2.89Å; A310-A312 PolarHBondContact O-N 2.92Å |
| 313 | A | 68.8 | Low | 63 | Low | 77 Ų | 77 | 122.9 Ų | 122.9 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.2 | -35.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q309 A310 L311 | Q309-A313 WeakPolarHBondContact O-CB 3.19Å; Q309-A313 PolarHBondContact O-N 3.21Å; A310-A313 PolarHBondContact O-N 3.01Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.27Å |
| 314 | L | 66.9 | Low | 63.4 | Low | 153 Ų | 153 | 125.2 Ų | 125.2 | 80% | 0.801 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.8 | -23.4 | 174.3 | -90.2 | 132.2 | 0 | 0 | 0 | 113.6 | A310 L311 R316 | A310-L314 WeakPolarHBondContact O-CD1 3.39Å; A310-L314 PolarHBondContact O-N 3.18Å; L311-L314 PolarHBondContact O-N 3.12Å; L314-R316 PolarHBondContact O-N 3.4Å |
| 315 | G | 60.2 | Low | 63.8 | Low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 8.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | L311 | L311-G315 PolarHBondContact O-N 2.94Š|
| 316 | R | 54.4 | Low | 64 | Low | 213 Ų | 213 | 127.4 Ų | 127.4 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -112.8 | 100.2 | -179.9 | -95.8 | -176.6 | -89.6 | -161 | -6.3 | 113.7 | L314 | L314-R316 PolarHBondContact O-N 3.4Š| ||
| 317 | K | 49.1 | Very low | 64.5 | Low | 285 Ų | 285 | 128.7 Ų | 128.7 | 100% | 1.239 | 68% | 0.682 | S | S | * | * | trans | -136.6 | 0 | 154.3 | -89.3 | -173.5 | 176.3 | 175.6 | 0 | 109.1 |
Retrieved 317 of 317 residues in 246.3 ms
(Link to these results)