| 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 | 50.1 | Low | 69.1 | Low | 223 Ų | 223 | 124.5 Ų | 124.5 | 100% | 1.099 | 66% | 0.655 | S | S | * | * | 0 | 103.3 | 0 | -92.5 | -58.9 | 173.2 | 0 | 0 | 107.5 | I3 | M1-I3 VanDerWaalsContact O-CG1 3.27Å; M1-I3 WeakPolarHBondContact O-CG1 3.42Å; M1-I3 PolarHBondContact O-N 3.18Å | |||
| 2 | D | 56.9 | Low | 70.3 | Confident | 145 Ų | 145 | 122.8 Ų | 122.8 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | trans | -72.6 | 86.7 | -175.9 | -67.3 | -70.8 | 0 | 0 | 0 | 110.9 | Y4 | D2-Y4 PolarHBondContact O-N 3.47Å; D2-Y4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | I | 59.6 | Low | 71.5 | Confident | 141 Ų | 141 | 120.9 Ų | 120.9 | 72% | 0.723 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 3.4 | 174.8 | -27.5 | -179.1 | 0 | 0 | 0 | 111.6 | M1 | M1-I3 VanDerWaalsContact O-CG1 3.27Å; M1-I3 WeakPolarHBondContact O-CG1 3.42Å; M1-I3 PolarHBondContact O-N 3.18Å |
| 4 | Y | 65.5 | Low | 72.4 | Confident | 202 Ų | 202 | 122.7 Ų | 122.7 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 23.3 | -174 | -76.6 | -82.1 | 0 | 0 | 0 | 113.6 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.47Å; D2-Y4 VanDerWaalsContact O-N 3.12Å; Y4-T6 PolarHBondContact O-N 3.13Å |
| 5 | D | 72.3 | Confident | 73.5 | Confident | 75 Ų | 75 | 116.8 Ų | 116.8 | 40% | 0.401 | 63% | 0.628 | S | S | . | * | trans | -64.3 | 127.4 | 168.1 | 174.3 | 30.5 | 0 | 0 | 0 | 109.9 | Q7 T8 L9 | D5-Q7 PolarHBondContact O-N 3.2Å; D5-Q7 PolarHBondContact OD1-N 3.24Å; D5-T8 WeakPolarHBondContact CB-OG1 3.42Å; D5-T8 PolarHBondContact O-N 3.15Å; D5-T8 PolarHBondContact O-OG1 3.05Å; D5-L9 PolarHBondContact O-N 2.97Å | ||
| 6 | T | 70 | Confident | 74.6 | Confident | 117 Ų | 117 | 111.8 Ų | 111.8 | 72% | 0.718 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.4 | -26.8 | -172.9 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.13Å; T6-G10 PolarHBondContact O-N 2.67Å |
| 7 | Q | 74.1 | Confident | 75.6 | Confident | 154 Ų | 154 | 113.3 Ų | 113.3 | 72% | 0.72 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.4 | -47.6 | 173.4 | -75.2 | -171.2 | 1.1 | 0 | 0 | 112.3 | D5 L9 G10 V11 | D5-Q7 PolarHBondContact O-N 3.2Å; D5-Q7 PolarHBondContact OD1-N 3.24Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-L9 PolarHBondContact O-N 3.17Å; Q7-G10 WeakPolarHBondContact O-CA 3.49Å; Q7-G10 PolarHBondContact O-N 3.11Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; Q7-V11 WeakPolarHBondContact O-CG2 2.89Å; Q7-V11 PolarHBondContact O-N 3.19Å |
| 8 | T | 75.7 | Confident | 76.6 | Confident | 71 Ų | 71 | 113.7 Ų | 113.7 | 44% | 0.436 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.9 | -40.5 | 177.7 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | D5 G10 V11 V12 | D5-T8 WeakPolarHBondContact CB-OG1 3.42Å; D5-T8 PolarHBondContact O-N 3.15Å; D5-T8 PolarHBondContact O-OG1 3.05Å; T8-G10 VanDerWaalsContact C-N 3.29Å; T8-G10 PolarHBondContact O-N 3.41Å; T8-V11 PolarHBondContact O-N 3.1Å; T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.42Å; T8-V12 PolarHBondContact O-N 3.1Å |
| 9 | L | 77.6 | Confident | 77.5 | Confident | 96 Ų | 96 | 112.4 Ų | 112.4 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.1 | -41.4 | 173.1 | -159 | 83 | 0 | 0 | 0 | 111.4 | D5 Q7 V12 V13 | D5-L9 PolarHBondContact O-N 2.97Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-L9 PolarHBondContact O-N 3.17Å; L9-V12 PolarHBondContact O-N 3.44Å; L9-V13 WeakPolarHBondContact O-CB 3.45Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.38Å; L9-V13 PolarHBondContact O-N 3.3Å |
| 10 | G | 76.9 | Confident | 78.3 | Confident | 38 Ų | 38 | 111.9 Ų | 111.9 | 39% | 0.392 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.8 | -47.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T6 Q7 T8 V13 F14 | T6-G10 PolarHBondContact O-N 2.67Å; Q7-G10 WeakPolarHBondContact O-CA 3.49Å; Q7-G10 PolarHBondContact O-N 3.11Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; T8-G10 VanDerWaalsContact C-N 3.29Å; T8-G10 PolarHBondContact O-N 3.41Å; G10-V13 PolarHBondContact O-N 3.32Å; G10-F14 VanDerWaalsContact O-CB 3.28Å; G10-F14 WeakPolarHBondContact O-CB 3.47Å; G10-F14 PolarHBondContact O-N 3.04Å |
| 11 | V | 81.4 | Confident | 79 | Confident | 107 Ų | 107 | 108.4 Ų | 108.4 | 65% | 0.648 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.6 | -41 | 178.5 | 176 | 0 | 0 | 0 | 0 | 111.6 | Q7 T8 F14 G15 | Q7-V11 WeakPolarHBondContact O-CG2 2.89Å; Q7-V11 PolarHBondContact O-N 3.19Å; T8-V11 PolarHBondContact O-N 3.1Å; V11-F14 PolarHBondContact O-N 2.95Å; V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 3.26Å |
| 12 | V | 83.8 | Confident | 81.2 | Confident | 105 Ų | 105 | 100.6 Ų | 100.6 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -43.1 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | T8 L9 G16 | T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.42Å; T8-V12 PolarHBondContact O-N 3.1Å; L9-V12 PolarHBondContact O-N 3.44Å; V12-G16 PolarHBondContact O-N 2.88Å |
| 13 | V | 85.3 | Confident | 82.9 | Confident | 98 Ų | 98 | 98.2 Ų | 98.2 | 59% | 0.594 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.1 | -44.3 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L9 G10 F17 | L9-V13 WeakPolarHBondContact O-CB 3.45Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.38Å; L9-V13 PolarHBondContact O-N 3.3Å; G10-V13 PolarHBondContact O-N 3.32Å; V13-F17 VanDerWaalsContact O-CB 3.3Å; V13-F17 WeakPolarHBondContact O-CB 3.45Å; V13-F17 PolarHBondContact O-N 3.28Å |
| 14 | F | 85.1 | Confident | 84.5 | Confident | 146 Ų | 146 | 93.1 Ų | 93.1 | 64% | 0.64 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.6 | -41.1 | -178.3 | -141.2 | -89.7 | 0 | 0 | 0 | 112 | G10 V11 F17 M18 | G10-F14 VanDerWaalsContact O-CB 3.28Å; G10-F14 WeakPolarHBondContact O-CB 3.47Å; G10-F14 PolarHBondContact O-N 3.04Å; V11-F14 PolarHBondContact O-N 2.95Å; F14-F17 PolarHBondContact O-N 3.47Å; F14-M18 WeakPolarHBondContact O-CB 3.47Å; F14-M18 PolarHBondContact O-N 3.3Å |
| 15 | G | 88.5 | Confident | 85.7 | Confident | 34 Ų | 34 | 89 Ų | 89 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V11 F17 M18 V19 | V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 3.26Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 3.47Å; G15-M18 WeakPolarHBondContact O-CB 3.01Å; G15-M18 PolarHBondContact O-N 2.92Å; G15-V19 WeakPolarHBondContact O-CG2 3.42Å; G15-V19 PolarHBondContact O-N 3.12Å |
| 16 | G | 90.7 | Very high | 86.5 | Confident | 37 Ų | 37 | 91.9 Ų | 91.9 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 M18 V19 V20 | V12-G16 PolarHBondContact O-N 2.88Å; G16-M18 PolarHBondContact O-N 3.25Å; G16-V19 PolarHBondContact O-N 3.09Å; G16-V20 WeakPolarHBondContact O-CG2 3.05Å; G16-V20 PolarHBondContact O-N 2.91Å |
| 17 | F | 92 | Very high | 87.2 | Confident | 137 Ų | 137 | 91.2 Ų | 91.2 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | 175.6 | -175.6 | -100 | 0 | 0 | 0 | 112.4 | V13 F14 G15 S21 | V13-F17 VanDerWaalsContact O-CB 3.3Å; V13-F17 WeakPolarHBondContact O-CB 3.45Å; V13-F17 PolarHBondContact O-N 3.28Å; F14-F17 PolarHBondContact O-N 3.47Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 3.47Å; F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 VanDerWaalsContact O-CB 3.24Å; F17-S21 WeakPolarHBondContact O-CB 2.78Å; F17-S21 PolarHBondContact O-N 3.07Å; F17-S21 PolarHBondContact O-OG 3.43Å |
| 18 | M | 94.3 | Very high | 87.7 | Confident | 121 Ų | 121 | 88.5 Ų | 88.5 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.8 | -45.8 | 174.8 | -92 | -92 | 157.8 | 0 | 0 | 111.9 | F14 G15 G16 S21 A22 | F14-M18 WeakPolarHBondContact O-CB 3.47Å; F14-M18 PolarHBondContact O-N 3.3Å; G15-M18 WeakPolarHBondContact O-CB 3.01Å; G15-M18 PolarHBondContact O-N 2.92Å; G16-M18 PolarHBondContact O-N 3.25Å; M18-S21 PolarHBondContact O-N 3.42Å; M18-A22 WeakPolarHBondContact O-CB 3.2Å; M18-A22 PolarHBondContact O-N 3.39Å |
| 19 | V | 93.4 | Very high | 87.7 | Confident | 89 Ų | 89 | 88.1 Ų | 88.1 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.42Å; G15-V19 PolarHBondContact O-N 3.12Å; G16-V19 PolarHBondContact O-N 3.09Å; V19-S21 VanDerWaalsContact C-N 3.27Å; V19-S21 PolarHBondContact O-N 3.05Å; V19-A22 PolarHBondContact O-N 2.89Å; V19-I23 HydrophobicContact CG1-CD1 3.99Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.23Å |
| 20 | V | 93.8 | Very high | 87.7 | Confident | 102 Ų | 102 | 86.5 Ų | 86.5 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -37.4 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | G16 G24 | G16-V20 WeakPolarHBondContact O-CG2 3.05Å; G16-V20 PolarHBondContact O-N 2.91Å; V20-G24 PolarHBondContact O-N 3.27Å |
| 21 | S | 92.6 | Very high | 87.3 | Confident | 39 Ų | 39 | 92.3 Ų | 92.3 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 175.6 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 VanDerWaalsContact O-CB 3.24Å; F17-S21 WeakPolarHBondContact O-CB 2.78Å; F17-S21 PolarHBondContact O-N 3.07Å; F17-S21 PolarHBondContact O-OG 3.43Å; M18-S21 PolarHBondContact O-N 3.42Å; V19-S21 VanDerWaalsContact C-N 3.27Å; V19-S21 PolarHBondContact O-N 3.05Å; S21-G24 PolarHBondContact O-N 2.97Å; S21-I25 VanDerWaalsContact O-CG1 3.29Å; S21-I25 WeakPolarHBondContact O-CG1 3.38Å; S21-I25 PolarHBondContact O-N 3.47Å |
| 22 | A | 94.9 | Very high | 86.7 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M18 V19 I25 F26 | M18-A22 WeakPolarHBondContact O-CB 3.2Å; M18-A22 PolarHBondContact O-N 3.39Å; V19-A22 PolarHBondContact O-N 2.89Å; A22-I25 PolarHBondContact O-N 3.2Å; A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.44Å |
| 23 | I | 93.6 | Very high | 85.7 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 174.6 | -64.8 | 166.9 | 0 | 0 | 0 | 110.5 | V19 I25 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.99Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.23Å; I23-I25 PolarHBondContact O-N 3.3Å; I23-F26 PolarHBondContact O-N 3.17Å; I23-L27 HydrophobicContact CG2-CD1 4Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.12Å |
| 24 | G | 93.4 | Very high | 84.1 | Confident | 34 Ų | 34 | 98 Ų | 98 | 35% | 0.351 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V20 S21 V28 | V20-G24 PolarHBondContact O-N 3.27Å; S21-G24 PolarHBondContact O-N 2.97Å; G24-V28 WeakPolarHBondContact O-CG2 3.44Å; G24-V28 PolarHBondContact O-N 3.27Å |
| 25 | I | 89.4 | Confident | 82.8 | Confident | 114 Ų | 114 | 98.4 Ų | 98.4 | 59% | 0.585 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 176 | -64.9 | 164.1 | 0 | 0 | 0 | 110.5 | S21 A22 I23 L27 V28 S29 | S21-I25 VanDerWaalsContact O-CG1 3.29Å; S21-I25 WeakPolarHBondContact O-CG1 3.38Å; S21-I25 PolarHBondContact O-N 3.47Å; A22-I25 PolarHBondContact O-N 3.2Å; I23-I25 PolarHBondContact O-N 3.3Å; I25-L27 PolarHBondContact O-N 2.97Å; I25-V28 PolarHBondContact O-N 3.48Å; I25-S29 WeakPolarHBondContact O-CB 2.82Å; I25-S29 PolarHBondContact O-N 3.02Å |
| 26 | F | 89.2 | Confident | 81.3 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -44.5 | 177.9 | -176.3 | -97.6 | 0 | 0 | 0 | 111.8 | A22 I23 S29 T30 | A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.44Å; I23-F26 PolarHBondContact O-N 3.17Å; F26-S29 PolarHBondContact O-N 3.33Å; F26-T30 HydrophobicContact CD1-CG2 4.38Å; F26-T30 HydrophobicContact CE1-CG2 3.85Å; F26-T30 HydrophobicContact CE2-CG2 4.24Å; F26-T30 HydrophobicContact CZ-CG2 3.77Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 PolarHBondContact O-N 2.99Å; F26-T30 PolarHBondContact O-OG1 3.1Å |
| 27 | L | 86.1 | Confident | 80 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -43.1 | 176.5 | -69.9 | 175.3 | 0 | 0 | 0 | 111.9 | I23 I25 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 4Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.12Å; I25-L27 PolarHBondContact O-N 2.97Å; L27-T30 WeakPolarHBondContact CA-OG1 3.47Å; L27-T30 PolarHBondContact O-N 3.01Å; L27-T30 PolarHBondContact O-OG1 3.22Å; L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 2.89Å; L27-F31 PolarHBondContact O-N 3.1Å |
| 28 | V | 83.1 | Confident | 78.6 | Confident | 96 Ų | 96 | 105.8 Ų | 105.8 | 58% | 0.582 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.6 | -41.6 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | G24 I25 S32 | G24-V28 WeakPolarHBondContact O-CG2 3.44Å; G24-V28 PolarHBondContact O-N 3.27Å; I25-V28 PolarHBondContact O-N 3.48Å; V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 3.11Å; V28-S32 PolarHBondContact O-OG 3.15Å |
| 29 | S | 76.6 | Confident | 77.3 | Confident | 64 Ų | 64 | 106.8 Ų | 106.8 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.7 | -46.2 | 176.4 | -86.4 | 0 | 0 | 0 | 0 | 112.4 | I25 F26 F31 S32 M33 | I25-S29 WeakPolarHBondContact O-CB 2.82Å; I25-S29 PolarHBondContact O-N 3.02Å; F26-S29 PolarHBondContact O-N 3.33Å; S29-F31 VanDerWaalsContact C-N 3.33Å; S29-F31 PolarHBondContact O-N 2.8Å; S29-S32 PolarHBondContact O-N 3.44Å; S29-M33 WeakPolarHBondContact O-CG 3.22Å; S29-M33 PolarHBondContact O-N 2.91Å |
| 30 | T | 77.2 | Confident | 76.3 | Confident | 61 Ų | 61 | 107.7 Ų | 107.7 | 37% | 0.374 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.8 | -35.1 | 178.9 | 36.3 | 0 | 0 | 0 | 0 | 112.2 | F26 L27 | F26-T30 HydrophobicContact CD1-CG2 4.38Å; F26-T30 HydrophobicContact CE1-CG2 3.85Å; F26-T30 HydrophobicContact CE2-CG2 4.24Å; F26-T30 HydrophobicContact CZ-CG2 3.77Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 PolarHBondContact O-N 2.99Å; F26-T30 PolarHBondContact O-OG1 3.1Å; L27-T30 WeakPolarHBondContact CA-OG1 3.47Å; L27-T30 PolarHBondContact O-N 3.01Å; L27-T30 PolarHBondContact O-OG1 3.22Å |
| 31 | F | 68.8 | Low | 75.4 | Confident | 160 Ų | 160 | 105.5 Ų | 105.5 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.5 | -37.9 | 176 | -146.3 | -95.7 | 0 | 0 | 0 | 112.1 | L27 S29 M33 K34 | L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 2.89Å; L27-F31 PolarHBondContact O-N 3.1Å; S29-F31 VanDerWaalsContact C-N 3.33Å; S29-F31 PolarHBondContact O-N 2.8Å; F31-M33 PolarHBondContact O-N 3.46Å; F31-K34 PolarHBondContact O-N 3.1Å |
| 32 | S | 68.3 | Low | 74.6 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 58% | 0.58 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.9 | -26.2 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | V28 S29 K34 | V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 3.11Å; V28-S32 PolarHBondContact O-OG 3.15Å; S29-S32 PolarHBondContact O-N 3.44Å; S32-K34 VanDerWaalsContact C-N 3.25Å; S32-K34 PolarHBondContact O-N 3.04Å |
| 33 | M | 62.7 | Low | 73.9 | Confident | 169 Ų | 169 | 106.1 Ų | 106.1 | 83% | 0.833 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -6.8 | 176.8 | -79.4 | 174.6 | 147.5 | 0 | 0 | 114 | S29 F31 | S29-M33 WeakPolarHBondContact O-CG 3.22Å; S29-M33 PolarHBondContact O-N 2.91Å; F31-M33 PolarHBondContact O-N 3.46Å |
| 34 | K | 53.2 | Low | 73.2 | Confident | 179 Ų | 179 | 106.1 Ų | 106.1 | 78% | 0.778 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -1 | -175.7 | -141.9 | 175.6 | 173 | 177.2 | 0 | 114.6 | F31 S32 T36 | F31-K34 PolarHBondContact O-N 3.1Å; S32-K34 VanDerWaalsContact C-N 3.25Å; S32-K34 PolarHBondContact O-N 3.04Å; K34-T36 VanDerWaalsContact C-N 3.33Å; K34-T36 PolarHBondContact O-N 3.49Å |
| 35 | E | 56.9 | Low | 72.5 | Confident | 154 Ų | 154 | 109.5 Ų | 109.5 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | trans | -78.1 | 91.6 | 166.2 | -63.4 | -161 | 157.5 | 0 | 0 | 108.2 | S37 | E35-S37 PolarHBondContact O-N 3.35Š| ||
| 36 | T | 57 | Low | 72 | Confident | 104 Ų | 104 | 112.9 Ų | 112.9 | 64% | 0.638 | 58% | 0.577 | S | S | * | * | trans | -41.6 | 111.4 | 150.2 | 29.3 | 0 | 0 | 0 | 0 | 106.5 | K34 Y38 | K34-T36 VanDerWaalsContact C-N 3.33Å; K34-T36 PolarHBondContact O-N 3.49Å; T36-Y38 PolarHBondContact O-N 3.12Å | ||
| 37 | S | 62.7 | Low | 71.6 | Confident | 71 Ų | 71 | 112.6 Ų | 112.6 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -51.7 | 137 | -174.3 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | E35 E39 E40 A41 | E35-S37 PolarHBondContact O-N 3.35Å; S37-E39 PolarHBondContact O-N 3.31Å; S37-E40 WeakPolarHBondContact O-CA 3.32Å; S37-E40 WeakPolarHBondContact O-CB 3.48Å; S37-E40 PolarHBondContact O-N 3.07Å; S37-A41 PolarHBondContact O-N 3.32Å | ||
| 38 | Y | 63 | Low | 71.2 | Confident | 187 Ų | 187 | 114.1 Ų | 114.1 | 73% | 0.733 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -50.4 | -29.6 | 178 | -179.2 | -99.6 | 0 | 0 | 0 | 112.6 | T36 L42 | T36-Y38 PolarHBondContact O-N 3.12Å; Y38-L42 HydrophobicContact CD1-CD1 4.01Å; Y38-L42 HydrophobicContact CE1-CD1 3.5Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.5Å; Y38-L42 PolarHBondContact O-N 3.22Å |
| 39 | E | 67.6 | Low | 70.7 | Confident | 143 Ų | 143 | 115 Ų | 115 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.3 | -39.4 | 171.2 | -87.4 | -75.2 | 146.6 | 0 | 0 | 113.5 | S37 L42 A43 | S37-E39 PolarHBondContact O-N 3.31Å; E39-L42 PolarHBondContact O-N 3.49Å; E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 3.08Å |
| 40 | E | 72.1 | Confident | 70.6 | Confident | 107 Ų | 107 | 114.6 Ų | 114.6 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.8 | -37.9 | 179 | -168.2 | 179.7 | -178.1 | 0 | 0 | 111.9 | S37 L42 A43 N44 | S37-E40 WeakPolarHBondContact O-CA 3.32Å; S37-E40 WeakPolarHBondContact O-CB 3.48Å; S37-E40 PolarHBondContact O-N 3.07Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.28Å; E40-A43 PolarHBondContact O-N 3.15Å; E40-N44 PolarHBondContact O-N 3.16Å |
| 41 | A | 74.8 | Confident | 70.3 | Confident | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.6 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S37 N44 Q45 | S37-A41 PolarHBondContact O-N 3.32Å; A41-N44 PolarHBondContact O-N 3.26Å; A41-Q45 PolarHBondContact O-N 3.43Å |
| 42 | L | 76.7 | Confident | 70 | Confident | 55 Ų | 55 | 116 Ų | 116 | 29% | 0.288 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.8 | -38.6 | 173.5 | -102.3 | 159.3 | 0 | 0 | 0 | 112.3 | Y38 E39 E40 R46 | Y38-L42 HydrophobicContact CD1-CD1 4.01Å; Y38-L42 HydrophobicContact CE1-CD1 3.5Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.5Å; Y38-L42 PolarHBondContact O-N 3.22Å; E39-L42 PolarHBondContact O-N 3.49Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 3Å |
| 43 | A | 79.5 | Confident | 69.5 | Low | 56 Ų | 56 | 119.6 Ų | 119.6 | 46% | 0.463 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.3 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E39 E40 R46 K47 | E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 3.08Å; E40-A43 PolarHBondContact O-N 3.15Å; A43-R46 PolarHBondContact O-N 2.82Å; A43-K47 WeakPolarHBondContact O-CB 3.42Å; A43-K47 PolarHBondContact O-N 2.95Å |
| 44 | N | 79.4 | Confident | 69.1 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -40.4 | 177.5 | -102.7 | -14.4 | 0 | 0 | 0 | 112.2 | E40 A41 R46 K47 E48 | E40-N44 PolarHBondContact O-N 3.16Å; A41-N44 PolarHBondContact O-N 3.26Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.98Å; N44-K47 PolarHBondContact O-N 2.88Å; N44-K47 VanDerWaalsContact O-N 3.15Å; N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.94Å |
| 45 | Q | 77.6 | Confident | 69.1 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 50% | 0.495 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.1 | -41.6 | 176.2 | -162.6 | -161.5 | 31.5 | 0 | 0 | 111.9 | A41 E48 M49 | A41-Q45 PolarHBondContact O-N 3.43Å; Q45-E48 PolarHBondContact O-N 3.08Å; Q45-M49 HydrophobicContact CG-CE 3.95Å; Q45-M49 WeakPolarHBondContact O-CG 3.25Å; Q45-M49 PolarHBondContact O-N 3.34Å |
| 46 | R | 80.1 | Confident | 68.4 | Low | 184 Ų | 184 | 120.1 Ų | 120.1 | 69% | 0.694 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.9 | -39.3 | 174.6 | -72.1 | -179.2 | -179 | 171 | 5.2 | 112.2 | L42 A43 N44 E48 A50 | L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 3Å; A43-R46 PolarHBondContact O-N 2.82Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.98Å; R46-E48 VanDerWaalsContact C-N 3.33Å; R46-A50 WeakPolarHBondContact O-CB 3.32Å; R46-A50 PolarHBondContact O-N 3.18Å |
| 47 | K | 80.4 | Confident | 67.9 | Low | 131 Ų | 131 | 117.6 Ų | 117.6 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -35.6 | 177.6 | -160.8 | 177 | -174.2 | 179.8 | 0 | 111.7 | A43 N44 K51 | A43-K47 WeakPolarHBondContact O-CB 3.42Å; A43-K47 PolarHBondContact O-N 2.95Å; N44-K47 PolarHBondContact O-N 2.88Å; N44-K47 VanDerWaalsContact O-N 3.15Å; K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.36Å |
| 48 | E | 77.2 | Confident | 67 | Low | 135 Ų | 135 | 122 Ų | 122 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.2 | -43 | 176.8 | -159.6 | -174.9 | 164.3 | 0 | 0 | 111.9 | N44 Q45 R46 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.94Å; Q45-E48 PolarHBondContact O-N 3.08Å; R46-E48 VanDerWaalsContact C-N 3.33Å; E48-A50 VanDerWaalsContact C-N 3.28Å; E48-A50 PolarHBondContact O-N 2.87Å; E48-K51 PolarHBondContact O-N 2.61Å; E48-K51 VanDerWaalsContact O-N 3.16Å; E48-T52 PolarHBondContact O-N 3.01Å |
| 49 | M | 73.4 | Confident | 66.2 | Low | 115 Ų | 115 | 123.1 Ų | 123.1 | 57% | 0.567 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.6 | -33.1 | 172.9 | -70.6 | -160.6 | -141.4 | 0 | 0 | 112.9 | Q45 T52 H53 | Q45-M49 HydrophobicContact CG-CE 3.95Å; Q45-M49 WeakPolarHBondContact O-CG 3.25Å; Q45-M49 PolarHBondContact O-N 3.34Å; M49-T52 PolarHBondContact O-OG1 2.97Å; M49-T52 VanDerWaalsContact O-OG1 3.11Å; M49-H53 PolarHBondContact O-N 2.87Å |
| 50 | A | 74.8 | Confident | 64.9 | Low | 56 Ų | 56 | 125.9 Ų | 125.9 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69 | -34.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R46 E48 | R46-A50 WeakPolarHBondContact O-CB 3.32Å; R46-A50 PolarHBondContact O-N 3.18Å; E48-A50 VanDerWaalsContact C-N 3.28Å; E48-A50 PolarHBondContact O-N 2.87Å |
| 51 | K | 70.4 | Confident | 63.5 | Low | 152 Ų | 152 | 129.6 Ų | 129.6 | 66% | 0.661 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.6 | -36.1 | 178.3 | -76.6 | 177.8 | 175.4 | -171.9 | 0 | 112.7 | K47 E48 H53 H54 | K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.36Å; E48-K51 PolarHBondContact O-N 2.61Å; E48-K51 VanDerWaalsContact O-N 3.16Å; K51-H53 VanDerWaalsContact C-N 3.32Å; K51-H53 PolarHBondContact O-N 3.22Å; K51-H54 PolarHBondContact O-N 3.01Å |
| 52 | T | 61.7 | Low | 61.7 | Low | 99 Ų | 99 | 137 Ų | 137 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.3 | -25.6 | 179.4 | 52.9 | 0 | 0 | 0 | 0 | 113 | E48 M49 | E48-T52 PolarHBondContact O-N 3.01Å; M49-T52 PolarHBondContact O-OG1 2.97Å; M49-T52 VanDerWaalsContact O-OG1 3.11Å |
| 53 | H | 58.4 | Low | 59.9 | Low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.9 | -25.6 | 176.6 | -159.6 | -82.9 | 0 | 0 | 0 | 113.4 | M49 K51 | M49-H53 PolarHBondContact O-N 2.87Å; K51-H53 VanDerWaalsContact C-N 3.32Å; K51-H53 PolarHBondContact O-N 3.22Å |
| 54 | H | 54.7 | Low | 57.9 | Low | 154 Ų | 154 | 149.2 Ų | 149.2 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -72.9 | -27.5 | 179.8 | -94.3 | -69.3 | 0 | 0 | 0 | 113.8 | K51 K56 | K51-H54 PolarHBondContact O-N 3.01Å; H54-K56 PolarHBondContact O-N 3.16Å |
| 55 | Q | 51.9 | Low | 56.1 | Low | 168 Ų | 168 | 151 Ų | 151 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -80.5 | -15.7 | -176.7 | -135.6 | -173.3 | 60 | 0 | 0 | 114 | ||
| 56 | K | 43.4 | Very low | 54.2 | Low | 192 Ų | 192 | 152.7 Ų | 152.7 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8.2 | 177.3 | -150.6 | 171.9 | -176 | 177.4 | 0 | 113.5 | H54 | H54-K56 PolarHBondContact O-N 3.16Š|
| 57 | G | 46.2 | Very low | 52.2 | Low | 51 Ų | 51 | 153.3 Ų | 153.3 | 53% | 0.526 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -85 | -22.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 58 | E | 43.6 | Very low | 50.3 | Low | 164 Ų | 164 | 156.6 Ų | 156.6 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -83.4 | -15.4 | -168.8 | -71 | -167.3 | 112.2 | 0 | 0 | 114.8 | K60 | E58-K60 PolarHBondContact O-N 3.4Š|
| 59 | K | 45.5 | Very low | 48.1 | Very low | 210 Ų | 210 | 159.8 Ų | 159.8 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -86.9 | -2.2 | -178 | -134.5 | 174.2 | -174.8 | 175.7 | 0 | 115.1 | ||
| 60 | K | 41.9 | Very low | 46.4 | Very low | 201 Ų | 201 | 158 Ų | 158 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -116.3 | 2.7 | -174.9 | -129.5 | -176.8 | -178 | -177 | 0 | 116.1 | E58 | E58-K60 PolarHBondContact O-N 3.4Š|
| 61 | K | 41 | Very low | 44.3 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -103.7 | 9.9 | -174.3 | -149.7 | -174.3 | 174 | -177.8 | 0 | 115.4 | ||
| 62 | K | 38.3 | Very low | 42.8 | Very low | 211 Ų | 211 | 164.2 Ų | 164.2 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -94.6 | 1.9 | -176.6 | -142.2 | -175.2 | 178.2 | -176.5 | 0 | 116 | ||
| 63 | E | 37.6 | Very low | 41.3 | Very low | 177 Ų | 177 | 168.8 Ų | 168.8 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -114.7 | -4.6 | -168 | -137.2 | -173.4 | 142.2 | 0 | 0 | 117.6 | ||
| 64 | K | 38.2 | Very low | 40.3 | Very low | 192 Ų | 192 | 171.3 Ų | 171.3 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | trans | -146 | 74 | -176.8 | -68.2 | -167.2 | 178.4 | -171.3 | 0 | 114.1 | ||||
| 65 | T | 41.2 | Very low | 39.2 | Very low | 131 Ų | 131 | 172.1 Ų | 172.1 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -146.2 | 57.6 | 161 | -40.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 66 | V | 37.5 | Very low | 38.7 | Very low | 141 Ų | 141 | 172.9 Ų | 172.9 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -139.9 | 85.8 | 158.1 | 178.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 67 | E | 39.6 | Very low | 38.1 | Very low | 198 Ų | 198 | 170 Ų | 170 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -153.3 | 130.4 | 151.3 | -115.7 | 174.5 | 177.8 | 0 | 0 | 110.6 | ||||
| 68 | K | 38.9 | Very low | 37.8 | Very low | 200 Ų | 200 | 176.4 Ų | 176.4 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | trans | -78.7 | 132.5 | -161.5 | -84 | 168.9 | 166.6 | 169.3 | 0 | 111.8 | G70 | K68-G70 PolarHBondContact O-N 3.03Š| ||
| 69 | K | 32.6 | Very low | 37.7 | Very low | 201 Ų | 201 | 174.1 Ų | 174.1 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | 46.9 | 71.6 | 120 | -146.5 | -178.6 | -171.2 | -178.3 | 0 | 116.2 | |||||
| 70 | G | 36.4 | Very low | 37.4 | Very low | 77 Ų | 77 | 171.7 Ų | 171.7 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -108.4 | 102 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K68 | K68-G70 PolarHBondContact O-N 3.03Š| ||
| 71 | K | 31.2 | Very low | 37.2 | Very low | 195 Ų | 195 | 165.4 Ų | 165.4 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -68.4 | 140.4 | 160.4 | -71.2 | 178.5 | 172.6 | 179.5 | 0 | 107.4 | ||||
| 72 | T | 39.2 | Very low | 36.7 | Very low | 144 Ų | 144 | 165.9 Ų | 165.9 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | 176.5 | 142.8 | 126.5 | -66.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 73 | K | 31.1 | Very low | 36.9 | Very low | 196 Ų | 196 | 163.8 Ų | 163.8 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | trans | -85.3 | 120.8 | -172.3 | -176.5 | -171.3 | -170.1 | -175.8 | 0 | 109.4 | ||||
| 74 | K | 37.6 | Very low | 37 | Very low | 210 Ų | 210 | 161 Ų | 161 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -166.2 | 127.5 | 146.6 | -114.5 | 174.9 | -178.1 | -178.8 | 0 | 111.7 | ||||
| 75 | K | 31.2 | Very low | 36.8 | Very low | 171 Ų | 171 | 160.9 Ų | 160.9 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | trans | -75.9 | 112.5 | 179.7 | 178.8 | -168.8 | 179.5 | -142.2 | 0 | 107.6 | E77 | K75-E77 IonicContact NZ-OE2 2.79Å; K75-E77 PolarHBondContact NZ-OE2 3.3Å | ||
| 76 | E | 40.2 | Very low | 36.5 | Very low | 183 Ų | 183 | 163.1 Ų | 163.1 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | -94.3 | 99.7 | 165.3 | -150.8 | -178.1 | 170.1 | 0 | 0 | 108.4 | ||||
| 77 | E | 31.1 | Very low | 36.4 | Very low | 132 Ų | 132 | 164 Ų | 164 | 62% | 0.617 | 83% | 0.825 | S | S | * | * | trans | -82.7 | 123.8 | 172.5 | 179.8 | 177.9 | 141 | 0 | 0 | 107.4 | K75 | K75-E77 IonicContact NZ-OE2 2.79Å; K75-E77 PolarHBondContact NZ-OE2 3.3Å | ||
| 78 | K | 39.6 | Very low | 36.4 | Very low | 186 Ų | 186 | 161.5 Ų | 161.5 | 81% | 0.809 | 82% | 0.818 | S | S | * | * | trans | -155.6 | 140.1 | 149.7 | -108.6 | 158.7 | -167.4 | 176.7 | 0 | 112.4 | ||||
| 79 | P | 42.4 | Very low | 36.3 | Very low | 116 Ų | 116 | 160 Ų | 160 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | -97.7 | 159.9 | -154.9 | 2.8 | 20.1 | 0 | 0 | 0 | 112.8 | G81 | P79-G81 PolarHBondContact O-N 3.37Š| ||
| 80 | N | 38 | Very low | 36.5 | Very low | 158 Ų | 158 | 156 Ų | 156 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -51 | 112.4 | 175.2 | -157.8 | 13.8 | 0 | 0 | 0 | 112.4 | K82 | N80-K82 PolarHBondContact O-N 3.2Š| ||
| 81 | G | 38.1 | Very low | 36.5 | Very low | 70 Ų | 70 | 158.7 Ų | 158.7 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -68.9 | 118.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P79 | P79-G81 PolarHBondContact O-N 3.37Š| ||
| 82 | K | 31.8 | Very low | 36.9 | Very low | 195 Ų | 195 | 156.1 Ų | 156.1 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 131.3 | 167.8 | -66.9 | 174.5 | 175.7 | -179.6 | 0 | 109.1 | N80 | N80-K82 PolarHBondContact O-N 3.2Š| ||
| 83 | I | 41.6 | Very low | 36.8 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -136 | 120.3 | 143.9 | -45.5 | 178.6 | 0 | 0 | 0 | 108.5 | ||||
| 84 | P | 39 | Very low | 37.1 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 175.1 | -177.4 | -26.6 | 36.9 | 0 | 0 | 0 | 118.2 | ||||
| 85 | E | 33.9 | Very low | 37.2 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 160.2 | -170.2 | -59.3 | -174.8 | 133 | 0 | 0 | 116.9 | ||
| 86 | H | 36.1 | Very low | 37.2 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.2 | 175 | -129.3 | -82.4 | 0 | 0 | 0 | 111.6 | ||
| 87 | D | 36 | Very low | 37 | Very low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 135.1 | 162 | -103.8 | -53.1 | 0 | 0 | 0 | 110.1 | ||
| 88 | L | 37.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -97 | 119.2 | 179.5 | -73.6 | 163.5 | 0 | 0 | 0 | 108.1 | P90 | L88-P90 VanDerWaalsContact O-CD 3.26Å; L88-P90 WeakPolarHBondContact O-CD 3.39Å |
| 89 | D | 38.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 120 | 161.5 | -79.6 | -50.2 | 0 | 0 | 0 | 109.9 | ||
| 90 | P | 36.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -108.1 | 92.3 | 178.6 | 33.1 | -17.9 | 0 | 0 | 0 | 110.1 | L88 | L88-P90 VanDerWaalsContact O-CD 3.26Å; L88-P90 WeakPolarHBondContact O-CD 3.39Å | ||
| 91 | N | 37.1 | Very low | 36.1 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -161.7 | 81.3 | 162.9 | -145.3 | -16.7 | 0 | 0 | 0 | 114.6 | ||||
| 92 | V | 37.8 | Very low | 35.7 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -133.7 | 90.2 | 152.3 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | I94 | V92-I94 PolarHBondContact O-N 3.47Š| ||
| 93 | T | 36.8 | Very low | 35.7 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | trans | -46.5 | 113.1 | 171 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | I95 | T93-I95 HydrophobicContact CG2-CG1 3.96Å; T93-I95 PolarHBondContact O-N 3.17Å; T93-I95 VanDerWaalsContact O-N 3.11Å | ||
| 94 | I | 37.9 | Very low | 35.1 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -74.6 | 95.3 | 165.7 | -62 | -175.7 | 0 | 0 | 0 | 106.8 | V92 L96 | V92-I94 PolarHBondContact O-N 3.47Å; I94-L96 PolarHBondContact O-N 3.42Å; I94-L96 VanDerWaalsContact O-N 3.08Å | ||
| 95 | I | 39.9 | Very low | 35 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | trans | -69.6 | 103.5 | 167.4 | -61 | -178.8 | 0 | 0 | 0 | 107.4 | T93 K97 | T93-I95 HydrophobicContact CG2-CG1 3.96Å; T93-I95 PolarHBondContact O-N 3.17Å; T93-I95 VanDerWaalsContact O-N 3.11Å; I95-K97 PolarHBondContact O-N 2.99Å; I95-K97 VanDerWaalsContact O-N 3.12Å | ||
| 96 | L | 32.5 | Very low | 34.9 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -72.1 | 94.1 | 174.5 | -156.9 | 153.5 | 0 | 0 | 0 | 107.4 | I94 E98 | I94-L96 PolarHBondContact O-N 3.42Å; I94-L96 VanDerWaalsContact O-N 3.08Å; L96-E98 PolarHBondContact O-N 2.88Å | ||
| 97 | K | 35.4 | Very low | 34.9 | Very low | 194 Ų | 194 | 141 Ų | 141 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -66.1 | 112.7 | 174.8 | -85.1 | 166 | 106.3 | 166.1 | 0 | 109.4 | I95 | I95-K97 PolarHBondContact O-N 2.99Å; I95-K97 VanDerWaalsContact O-N 3.12Å | ||
| 98 | E | 32.2 | Very low | 34.7 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -60.2 | 146.9 | 170.6 | -82.4 | 179.1 | 139.1 | 0 | 0 | 112.2 | L96 V100 | L96-E98 PolarHBondContact O-N 2.88Å; E98-V100 PolarHBondContact O-N 3.4Å | ||
| 99 | P | 36 | Very low | 34.6 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -81.7 | 113.1 | -176.1 | 31.7 | -33.9 | 0 | 0 | 0 | 112.1 | R101 | P99-R101 PolarHBondContact O-N 3.03Š| ||
| 100 | V | 35.3 | Very low | 34.4 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 119.1 | 168.3 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | E98 | E98-V100 PolarHBondContact O-N 3.4Š| ||
| 101 | R | 27.9 | Very low | 34.1 | Very low | 215 Ų | 215 | 135.4 Ų | 135.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -83.7 | 160.1 | 170.1 | -61.1 | -171.2 | -172.9 | -152.7 | 3.9 | 110.4 | P99 | P99-R101 PolarHBondContact O-N 3.03Š| ||
| 102 | V | 30 | Very low | 33.8 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | 75.3 | 108.4 | 161.6 | -59.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 103 | S | 31.2 | Very low | 33.5 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | -154.5 | 111.2 | 124.1 | -163.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 104 | A | 29.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -84.3 | 116.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 105 | V | 36.9 | Very low | 32.8 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -109.9 | 108.6 | 167.1 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | V107 | V105-V107 HydrophobicContact CG1-CG2 4.38Š| ||
| 106 | A | 31.1 | Very low | 32.6 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 130.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 107 | V | 36.1 | Very low | 32.6 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -129 | 118 | 161.8 | -175 | 0 | 0 | 0 | 0 | 107.2 | V105 | V105-V107 HydrophobicContact CG1-CG2 4.38Š| ||
| 108 | A | 32.5 | Very low | 32.3 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 148.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 109 | P | 34.7 | Very low | 32.2 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86 | 129.4 | 175.9 | 32.5 | -30.9 | 0 | 0 | 0 | 111.8 | ||
| 110 | T | 34.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 121.7 | 171.5 | 43.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 111 | S | 30.2 | Very low | 32 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 136 | 172 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 112 | V | 32.4 | Very low | 32.3 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -135.2 | 134.6 | 165 | -82.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 113 | H | 30.3 | Very low | 32.3 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -48.1 | 135.4 | -174.4 | -86.1 | -143.3 | 0 | 0 | 0 | 115 | ||||
| 114 | S | 30.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -124.5 | 111.4 | 158.9 | -56.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 115 | S | 29.9 | Very low | 32.6 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -108 | 110 | 174.4 | -174.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 116 | V | 36.1 | Very low | 32.2 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -144.7 | 116.1 | 163.1 | -174 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 117 | G | 31 | Very low | 32 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -67.9 | 143.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 118 | H | 30.3 | Very low | 32 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -122.1 | 126.7 | 166.8 | -79 | -100.6 | 0 | 0 | 0 | 108.2 | ||||
| 119 | T | 30.6 | Very low | 31.7 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -109.8 | 159.7 | 170.5 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 120 | P | 35.2 | Very low | 31.4 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -102.5 | 150.5 | -134.4 | 37.2 | -34.3 | 0 | 0 | 0 | 113.9 | ||||
| 121 | I | 31.7 | Very low | 31.3 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -116.8 | 111.1 | 155.3 | -62.9 | 176.2 | 0 | 0 | 0 | 106.6 | ||||
| 122 | A | 32.8 | Very low | 31.3 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | trans | -88 | 128 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 123 | T | 30.2 | Very low | 31.4 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | 57 | 108.9 | 129.5 | -37.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 124 | V | 33.6 | Very low | 31.3 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -138 | 139.5 | 141.7 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 125 | P | 34.3 | Very low | 31.2 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -92.9 | 164.8 | -143.6 | 35.5 | -34 | 0 | 0 | 0 | 115.5 | ||||
| 126 | A | 29.1 | Very low | 31.8 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -90.6 | 146 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 127 | M | 26.7 | Very low | 31.7 | Very low | 146 Ų | 146 | 135 Ų | 135 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | 69.1 | 133.2 | 151.5 | -57.8 | -171.6 | 114.8 | 0 | 0 | 118 | Q129 | M127-Q129 HydrophobicContact CE-CG 4.21Å; M127-Q129 VanDerWaalsContact CE-OE1 3.23Å | ||
| 128 | P | 34.6 | Very low | 32 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | -133.7 | 144 | 85.8 | 21.6 | -1.3 | 0 | 0 | 0 | 114.8 | |||||
| 129 | Q | 27.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 62% | 0.621 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 159.7 | 168.8 | -112 | 168.9 | -65.6 | 0 | 0 | 111.9 | M127 | M127-Q129 HydrophobicContact CE-CG 4.21Å; M127-Q129 VanDerWaalsContact CE-OE1 3.23Å | ||
| 130 | E | 27.3 | Very low | 32.6 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 71.2 | 116.6 | 148.7 | -68.5 | -179.3 | 134.6 | 0 | 0 | 119.7 | ||||
| 131 | K | 33.8 | Very low | 32.5 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | -167.5 | 107.8 | 115.9 | -101.2 | -178.2 | -167.4 | -170.9 | 0 | 110.4 | |||||
| 132 | L | 28.6 | Very low | 32.6 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 98% | 0.979 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 116.8 | 153.6 | -77.5 | 166.2 | 0 | 0 | 0 | 106.4 | ||||
| 133 | A | 34.9 | Very low | 32.7 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -126.9 | 127.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 134 | S | 29.5 | Very low | 33.2 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 162.1 | -178.1 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 135 | S | 28.2 | Very low | 33.4 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 114.2 | 150.4 | 135.7 | -78.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 136 | P | 42.4 | Very low | 33.4 | Very low | 116 Ų | 116 | 156.7 Ų | 156.7 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -124.1 | 148.2 | -146.6 | 32.6 | -12.7 | 0 | 0 | 0 | 115.8 | ||||
| 137 | K | 34.2 | Very low | 34 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -168 | 138.2 | 171.1 | -102.4 | 169.7 | -179.9 | 174.9 | 0 | 105.2 | ||||
| 138 | D | 37 | Very low | 34.5 | Very low | 134 Ų | 134 | 157.9 Ų | 157.9 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | cis | -156.4 | 133.5 | 39.8 | -81.9 | -60.5 | 0 | 0 | 0 | 109.1 | ||||
| 139 | R | 35.5 | Very low | 34.5 | Very low | 240 Ų | 240 | 158.4 Ų | 158.4 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | 42.8 | 101.7 | 94 | -74.3 | -169.5 | 160.7 | -158.7 | -2.9 | 115.7 | |||||
| 140 | K | 38.2 | Very low | 35 | Very low | 212 Ų | 212 | 159 Ų | 159 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -149.1 | 114.4 | 132 | -159.3 | 159.9 | -180 | 172.4 | 0 | 112.7 | ||||
| 141 | K | 31.8 | Very low | 35.5 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -68.1 | 133.3 | 171.5 | -176.7 | -178.3 | 179.3 | -168.7 | 0 | 109.7 | E143 | K141-E143 WeakPolarHBondContact CE-OE2 3.5Å; K141-E143 IonicContact NZ-OE2 3.05Å; K141-E143 PolarHBondContact NZ-OE2 3.45Å | ||
| 142 | K | 35 | Very low | 35.6 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -143.6 | 96.4 | 152.3 | -157.7 | 172.1 | -174.7 | 176.8 | 0 | 109.5 | ||||
| 143 | E | 34.1 | Very low | 35.9 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 66% | 0.659 | 79% | 0.79 | S | S | * | * | trans | -59.5 | 141 | 158.5 | -73.3 | 173.9 | 74.6 | 0 | 0 | 109.8 | K141 | K141-E143 WeakPolarHBondContact CE-OE2 3.5Å; K141-E143 IonicContact NZ-OE2 3.05Å; K141-E143 PolarHBondContact NZ-OE2 3.45Å | ||
| 144 | K | 41.8 | Very low | 36 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -156.8 | 112.1 | 143 | -112.6 | -179.4 | -176.7 | -170.6 | 0 | 111.1 | ||||
| 145 | K | 37.6 | Very low | 36.3 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | 52.8 | 103.6 | 144.4 | -65.4 | -164 | 175.7 | -167.3 | 0 | 119.9 | ||||
| 146 | V | 34.7 | Very low | 36.8 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -36.8 | 125.6 | 139.5 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | K148 | V146-K148 HydrophobicContact CG1-CB 4.18Š| ||
| 147 | A | 41.2 | Very low | 36.5 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -115.9 | 111.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 148 | K | 36.7 | Very low | 36.3 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | -89.7 | 116.1 | 178.2 | 170.2 | 173.6 | 173.5 | 178.2 | 0 | 107.1 | V146 E150 | V146-K148 HydrophobicContact CG1-CB 4.18Å; K148-E150 WeakPolarHBondContact CE-OE1 3.31Å; K148-E150 IonicContact NZ-OE1 3.94Å | ||
| 149 | V | 34.9 | Very low | 36.3 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -133.3 | 131.8 | 158.8 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 150 | E | 36.9 | Very low | 36.4 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 155.6 | -156.7 | -58.5 | -167.4 | 143.5 | 0 | 0 | 113.9 | K148 | K148-E150 WeakPolarHBondContact CE-OE1 3.31Å; K148-E150 IonicContact NZ-OE1 3.94Å |
| 151 | P | 39 | Very low | 36.2 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 123.5 | 177.5 | 33.5 | -29.8 | 0 | 0 | 0 | 111.1 | V153 | P151-V153 PolarHBondContact O-N 2.77Š|
| 152 | A | 35.4 | Very low | 36.2 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 117.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 153 | V | 34 | Very low | 36.3 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 119.5 | 172.4 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | P151 | P151-V153 PolarHBondContact O-N 2.77Š|
| 154 | S | 37.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -120 | 89.5 | 169.2 | -44 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 155 | S | 37 | Very low | 35.9 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -83 | 108.7 | 172.1 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | I | 39.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -102.5 | 120.9 | 163.9 | -64.2 | 176.5 | 0 | 0 | 0 | 107.5 | ||||
| 157 | V | 34.5 | Very low | 35.8 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -71.2 | 129.1 | -171.7 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 158 | N | 31.4 | Very low | 35.5 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -92.6 | 112.1 | 171.9 | -173.1 | 10.9 | 0 | 0 | 0 | 107.8 | ||||
| 159 | S | 36.1 | Very low | 35.3 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | -145.1 | 82 | 174.4 | -154.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 160 | I | 37.6 | Very low | 35.3 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -102.1 | 103.2 | 169.2 | -62.5 | -177.1 | 0 | 0 | 0 | 106.6 | ||||
| 161 | Q | 35.2 | Very low | 34.9 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | trans | -69.6 | 133.1 | 173.9 | -76.6 | -176.3 | 9.8 | 0 | 0 | 110.6 | ||||
| 162 | V | 31 | Very low | 34.7 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 110.8 | 174.6 | 171.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 163 | L | 36.3 | Very low | 34.7 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -96.5 | 112.5 | 167.4 | -79.5 | 162.6 | 0 | 0 | 0 | 108.9 | S165 | L163-S165 PolarHBondContact O-N 2.97Š| ||
| 164 | A | 34.7 | Very low | 34.5 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -74.9 | 110.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 165 | S | 34.5 | Very low | 34.4 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 123.6 | 173 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | L163 | L163-S165 PolarHBondContact O-N 2.97Š|
| 166 | K | 36.4 | Very low | 34.2 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 140.7 | 178.9 | -73.4 | 176.9 | 173.8 | -177.9 | 0 | 112.3 | ||
| 167 | S | 32 | Very low | 33.8 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 129.7 | 163.2 | 45.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 168 | A | 36.6 | Very low | 33.8 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -127.7 | 117.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 169 | I | 32.2 | Very low | 34.1 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -93.3 | 121.9 | 175.8 | -60.8 | 164.5 | 0 | 0 | 0 | 105.4 | ||||
| 170 | L | 35.1 | Very low | 33.9 | Very low | 178 Ų | 178 | 145 Ų | 145 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | trans | -135.5 | 117.9 | 159.7 | -96.8 | 169.5 | 0 | 0 | 0 | 108.9 | ||||
| 171 | E | 27.1 | Very low | 33.8 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -67.4 | 175 | 170.7 | -76.1 | -179.5 | 114.6 | 0 | 0 | 112.7 | ||||
| 172 | A | 35 | Very low | 33.5 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | 87.2 | 125.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 173 | T | 36.6 | Very low | 33.7 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | cis | -160.5 | 161 | 7.5 | 38.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 174 | P | 30.1 | Very low | 33.8 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -105.9 | 117.9 | -174.6 | 35.3 | -24.5 | 0 | 0 | 0 | 113.7 | ||||
| 175 | K | 34.4 | Very low | 33.5 | Very low | 211 Ų | 211 | 140.1 Ų | 140.1 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -157.9 | 129 | 160.3 | -62.4 | -172.8 | -179.7 | 177.4 | 0 | 104.2 | ||||
| 176 | E | 31.8 | Very low | 33.3 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -166.4 | 155.2 | 43.2 | -116.4 | -144.7 | 127 | 0 | 0 | 109.6 | ||||
| 177 | V | 32.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 19.5 | 132.1 | 151 | -166.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 178 | P | 34.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -82.7 | 119.6 | -175.1 | 33.2 | -32.8 | 0 | 0 | 0 | 113.2 | ||||
| 179 | M | 36.3 | Very low | 32.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -102 | 127.8 | 159.7 | -94 | -170 | 164.8 | 0 | 0 | 110.7 | A181 | M179-A181 PolarHBondContact O-N 3.02Š| ||
| 180 | V | 32.3 | Very low | 32.8 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -66.2 | 94.3 | 176.3 | -179.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 181 | A | 36.1 | Very low | 33 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -115.5 | 108.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | M179 | M179-A181 PolarHBondContact O-N 3.02Š| ||
| 182 | V | 29.6 | Very low | 33.7 | Very low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 120.5 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 183 | P | 34 | Very low | 34.4 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142.6 | 179.9 | 23.8 | -31.6 | 0 | 0 | 0 | 109.8 | ||
| 184 | P | 37.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 149.3 | -178 | 28.5 | -33.8 | 0 | 0 | 0 | 109 | G186 | P184-G186 PolarHBondContact O-N 2.81Š|
| 185 | V | 28.9 | Very low | 36.6 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 97% | 0.97 | 74% | 0.737 | S | S | * | * | trans | -68.2 | 64.4 | 174.5 | -139.6 | 0 | 0 | 0 | 0 | 108.6 | S187 | V185-S187 PolarHBondContact O-N 2.98Š| ||
| 186 | G | 30.1 | Very low | 37.9 | Very low | 57 Ų | 57 | 112 Ų | 112 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | trans | -79.3 | 109.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P184 | P184-G186 PolarHBondContact O-N 2.81Š| ||
| 187 | S | 35.4 | Very low | 39.1 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | 46.3 | 92.9 | 146.3 | -46.7 | 0 | 0 | 0 | 0 | 114.2 | V185 A189 | V185-S187 PolarHBondContact O-N 2.98Å; S187-A189 PolarHBondContact O-N 3Å | ||
| 188 | K | 28.7 | Very low | 40 | Very low | 209 Ų | 209 | 107.2 Ų | 107.2 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | trans | -56.6 | 91.9 | 160.9 | -66.4 | -137.4 | -174.5 | 174.3 | 0 | 108.2 | S190 | K188-S190 PolarHBondContact O-N 3Š| ||
| 189 | A | 31.8 | Very low | 40.9 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | trans | -63.5 | 91.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | S187 S191 | S187-A189 PolarHBondContact O-N 3Å; A189-S191 VanDerWaalsContact C-N 3.34Å; A189-S191 PolarHBondContact O-N 3.02Å | ||
| 190 | S | 31 | Very low | 41.3 | Very low | 91 Ų | 91 | 110.2 Ų | 110.2 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | -61.4 | 103.1 | 163.2 | 43.8 | 0 | 0 | 0 | 0 | 106 | K188 | K188-S190 PolarHBondContact O-N 3Š| ||
| 191 | S | 39 | Very low | 42 | Very low | 65 Ų | 65 | 105.1 Ų | 105.1 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 132.7 | 167.7 | 50.6 | 0 | 0 | 0 | 0 | 108 | A189 | A189-S191 VanDerWaalsContact C-N 3.34Å; A189-S191 PolarHBondContact O-N 3.02Å |
| 192 | P | 43 | Very low | 42.8 | Very low | 118 Ų | 118 | 110.1 Ų | 110.1 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.1 | -170.3 | 20.4 | -31.4 | 0 | 0 | 0 | 112.1 | T194 | P192-T194 PolarHBondContact O-N 2.95Š|
| 193 | A | 48.2 | Very low | 44.1 | Very low | 69 Ų | 69 | 105.7 Ų | 105.7 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | S195 | A193-S195 PolarHBondContact O-N 3.04Š|
| 194 | T | 57.6 | Low | 45.7 | Very low | 71 Ų | 71 | 102.2 Ų | 102.2 | 44% | 0.436 | 63% | 0.625 | S | S | . | * | trans | -78.6 | 105.1 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 108.6 | P192 Q215 | P192-T194 PolarHBondContact O-N 2.95Å; T194-Q215 PolarHBondContact O-N 3.29Å | ||
| 195 | S | 55.3 | Low | 47.1 | Very low | 87 Ų | 87 | 101.3 Ų | 101.3 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.9 | 170.9 | 71.7 | 0 | 0 | 0 | 0 | 110 | A193 Q215 | A193-S195 PolarHBondContact O-N 3.04Å; S195-Q215 WeakPolarHBondContact CA-O 2.89Å |
| 196 | S | 61.9 | Low | 49.1 | Very low | 36 Ų | 36 | 94.9 Ų | 94.9 | 25% | 0.252 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.8 | 172.2 | 81.4 | 0 | 0 | 0 | 0 | 109.9 | A204 Q215 N216 Q217 | S196-A204 VanDerWaalsContact OG-CB 3.23Å; S196-A204 WeakPolarHBondContact OG-CB 3.45Å; S196-Q215 PolarHBondContact N-O 3.37Å; S196-N216 PolarHBondContact OG-OD1 2.98Å; S196-Q217 PolarHBondContact O-N 2.84Å; S196-Q217 VanDerWaalsContact O-N 3.11Å |
| 197 | Q | 56.9 | Low | 51 | Low | 159 Ų | 159 | 98.8 Ų | 98.8 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.2 | 174.7 | -72.3 | -170.2 | -2.9 | 0 | 0 | 109.5 | ||
| 198 | G | 52 | Low | 52.4 | Low | 30 Ų | 30 | 95 Ų | 95 | 31% | 0.309 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | K200 Q217 | G198-K200 VanDerWaalsContact C-N 3.3Å; G198-Q217 PolarHBondContact N-O 3.29Å |
| 199 | K | 52.2 | Low | 53.9 | Low | 182 Ų | 182 | 93.1 Ų | 93.1 | 79% | 0.791 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -70.5 | -28.6 | 168.9 | -77.1 | 179.8 | -177 | 173.4 | 0 | 111.9 | ||
| 200 | K | 45.3 | Very low | 55.1 | Low | 185 Ų | 185 | 96.1 Ų | 96.1 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -161.8 | 90.5 | -179.9 | -114.5 | -177.5 | 171.7 | -173 | 0 | 105.6 | G198 | G198-K200 VanDerWaalsContact C-N 3.3Š|
| 201 | G | 48.2 | Very low | 56.1 | Low | 37 Ų | 37 | 92.9 Ų | 92.9 | 38% | 0.381 | 52% | 0.517 | S | S | . | . | trans | -128.7 | 120.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G203 | G201-G203 PolarHBondContact O-N 3.42Š| ||
| 202 | Q | 53 | Low | 56.9 | Low | 193 Ų | 193 | 96 Ų | 96 | 90% | 0.902 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -60.7 | 126.8 | 163.8 | -70.2 | 171.4 | 0 | 0 | 0 | 108 | A204 | Q202-A204 PolarHBondContact O-N 3.08Š|
| 203 | G | 56.6 | Low | 57.7 | Low | 38 Ų | 38 | 91.6 Ų | 91.6 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | trans | 39.9 | 71.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | G201 Q205 E222 | G201-G203 PolarHBondContact O-N 3.42Å; G203-Q205 PolarHBondContact O-N 3.5Å; G203-Q205 VanDerWaalsContact O-N 3.12Å; G203-E222 WeakPolarHBondContact CA-O 3.34Å; G203-E222 PolarHBondContact N-O 2.88Å | ||
| 204 | A | 66 | Low | 58.6 | Low | 33 Ų | 33 | 89 Ų | 89 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | trans | -62.5 | 115.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | S196 Q202 A224 Q225 | S196-A204 VanDerWaalsContact OG-CB 3.23Å; S196-A204 WeakPolarHBondContact OG-CB 3.45Å; Q202-A204 PolarHBondContact O-N 3.08Å; A204-A224 WeakPolarHBondContact O-CA 3.29Å; A204-Q225 PolarHBondContact O-N 3.2Å | ||
| 205 | Q | 68.7 | Low | 59.3 | Low | 101 Ų | 101 | 88.7 Ų | 88.7 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.7 | 178.2 | -170.4 | 179.7 | -3.8 | 0 | 0 | 110.4 | G203 Q225 | G203-Q205 PolarHBondContact O-N 3.5Å; G203-Q205 VanDerWaalsContact O-N 3.12Å; Q205-Q225 CarbonylContact C-O 3.58Å; Q205-Q225 VanDerWaalsContact CA-O 3.26Å; Q205-Q225 WeakPolarHBondContact CA-O 2.94Å; Q205-Q225 HydrophobicContact CG-CB 4.19Å |
| 206 | N | 70.8 | Confident | 60.1 | Low | 24 Ų | 24 | 84.9 Ų | 84.9 | 13% | 0.128 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.6 | 173.6 | -57.2 | -48.1 | 0 | 0 | 0 | 110 | A214 N216 Q225 N226 Q227 | N206-A214 HydrophobicContact CB-CB 3.99Å; N206-N216 PolarHBondContact ND2-ND2 2.95Å; N206-N216 PolarHBondContact ND2-OD1 2.99Å; N206-Q225 PolarHBondContact N-O 3.12Å; N206-N226 WeakPolarHBondContact CB-OD1 3.48Å; N206-N226 PolarHBondContact ND2-OD1 3.02Å; N206-N226 WeakPolarHBondContact O-CA 2.88Å; N206-Q227 PolarHBondContact O-N 3.49Å |
| 207 | Q | 69.2 | Low | 60.5 | Low | 139 Ų | 139 | 86.6 Ų | 86.6 | 65% | 0.65 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.6 | 172.3 | -62.4 | -171.4 | 21.3 | 0 | 0 | 110.4 | Q227 | Q207-Q227 WeakPolarHBondContact CA-O 3.33Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å |
| 208 | A | 64.5 | Low | 60.8 | Low | 30 Ų | 30 | 80.1 Ų | 80.1 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q227 A228 K229 | A208-Q227 PolarHBondContact N-O 3.23Å; A208-A228 WeakPolarHBondContact O-CA 3.29Å; A208-K229 PolarHBondContact O-N 2.88Å; A208-K229 VanDerWaalsContact O-N 3.16Å |
| 209 | K | 60.9 | Low | 61.3 | Low | 171 Ų | 171 | 84.6 Ų | 84.6 | 74% | 0.743 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -75.1 | -38.8 | 174.2 | -73.6 | -179.6 | -177.9 | 172.7 | 0 | 111.7 | K229 | K209-K229 WeakPolarHBondContact O-CB 3.45Š|
| 210 | K | 56.5 | Low | 61.6 | Low | 159 Ų | 159 | 82 Ų | 82 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -152.9 | 129.1 | 170.4 | -78.7 | 179.1 | 179.5 | 174.5 | 0 | 105.4 | K230 | K210-K230 WeakPolarHBondContact CA-O 3.34Š|
| 211 | G | 51.9 | Low | 62.1 | Low | 24 Ų | 24 | 74.5 Ų | 74.5 | 25% | 0.247 | 40% | 0.4 | C | S | . | . | trans | 178.8 | 148 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K230 G231 | G211-K230 PolarHBondContact N-O 2.87Å; G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3Å | ||
| 212 | E | 56.7 | Low | 62.6 | Low | 130 Ų | 130 | 79 Ų | 79 | 61% | 0.607 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -76.2 | 133 | 167 | -73.9 | 171.5 | 152.3 | 0 | 0 | 109.6 | ||
| 213 | G | 59.3 | Low | 63 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 27% | 0.268 | 38% | 0.383 | S | S | . | . | trans | 68.3 | 61.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q215 E232 G233 | G213-Q215 PolarHBondContact O-N 3.1Å; G213-E232 PolarHBondContact N-O 2.85Å; G213-G233 WeakPolarHBondContact CA-O 3.25Å | ||
| 214 | A | 68.2 | Low | 63.7 | Low | 15 Ų | 15 | 70.3 Ų | 70.3 | 12% | 0.124 | 37% | 0.372 | C | S | . | . | trans | -68.6 | 113.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N206 N226 A234 Q235 | N206-A214 HydrophobicContact CB-CB 3.99Å; A214-N226 HydrophobicContact CB-CB 4.28Å; A214-A234 WeakPolarHBondContact O-CA 3.22Å; A214-Q235 PolarHBondContact O-N 3.13Å | ||
| 215 | Q | 71.3 | Confident | 64.1 | Low | 64 Ų | 64 | 71.6 Ų | 71.6 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119 | -177.1 | -164.2 | -174.8 | -76.5 | 0 | 0 | 111.5 | T194 S195 S196 G213 Q217 Q235 | T194-Q215 PolarHBondContact O-N 3.29Å; S195-Q215 WeakPolarHBondContact CA-O 2.89Å; S196-Q215 PolarHBondContact N-O 3.37Å; G213-Q215 PolarHBondContact O-N 3.1Å; Q215-Q217 HydrophobicContact CG-CG 4.38Å; Q215-Q235 VanDerWaalsContact CA-O 3.32Å; Q215-Q235 WeakPolarHBondContact CA-O 2.95Å; Q215-Q235 HydrophobicContact CG-CB 4.3Å |
| 216 | N | 71.6 | Confident | 64.4 | Low | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.5 | 174.2 | -60.6 | -45.8 | 0 | 0 | 0 | 110.1 | S196 N206 A224 N226 Q235 N236 Q237 | S196-N216 PolarHBondContact OG-OD1 2.98Å; N206-N216 PolarHBondContact ND2-ND2 2.95Å; N206-N216 PolarHBondContact ND2-OD1 2.99Å; N216-A224 HydrophobicContact CB-CB 4.23Å; N216-N226 PolarHBondContact ND2-ND2 2.74Å; N216-N226 PolarHBondContact ND2-OD1 3.37Å; N216-Q235 PolarHBondContact N-O 2.82Å; N216-N236 WeakPolarHBondContact CB-OD1 3.34Å; N216-N236 PolarHBondContact ND2-OD1 2.87Å; N216-N236 WeakPolarHBondContact O-CA 3.11Å; N216-Q237 PolarHBondContact O-N 3.43Å |
| 217 | Q | 70.8 | Confident | 64.5 | Low | 71 Ų | 71 | 69.3 Ų | 69.3 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.3 | 174.3 | -61.4 | -165.3 | 8.6 | 0 | 0 | 111.5 | S196 G198 Q215 Q237 | S196-Q217 PolarHBondContact O-N 2.84Å; S196-Q217 VanDerWaalsContact O-N 3.11Å; G198-Q217 PolarHBondContact N-O 3.29Å; Q215-Q217 HydrophobicContact CG-CG 4.38Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.28Å |
| 218 | G | 63.4 | Low | 64.4 | Low | 23 Ų | 23 | 64.1 Ų | 64.1 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q237 A238 K239 | G218-Q237 PolarHBondContact N-O 2.97Å; G218-A238 WeakPolarHBondContact O-CA 3.44Å; G218-K239 PolarHBondContact O-N 3.38Å |
| 219 | K | 62.8 | Low | 64.4 | Low | 125 Ų | 125 | 68.4 Ų | 68.4 | 54% | 0.543 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -40.6 | 170.4 | -72.1 | -173 | -176.4 | -178.6 | 0 | 111.5 | K239 K240 | K219-K239 WeakPolarHBondContact O-CB 3.42Å; K219-K240 PolarHBondContact O-N 3.42Å |
| 220 | K | 57.9 | Low | 64.3 | Low | 128 Ų | 128 | 66 Ų | 66 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124.6 | 169.6 | -73.3 | -176.9 | 179.1 | -178.2 | 0 | 106.9 | K240 | K220-K240 VanDerWaalsContact CA-O 3.31Å; K220-K240 WeakPolarHBondContact CA-O 3.42Å |
| 221 | G | 55.9 | Low | 64.4 | Low | 26 Ų | 26 | 59.5 Ų | 59.5 | 27% | 0.268 | 32% | 0.322 | S | S | . | . | trans | -153.3 | 122.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K240 G241 | G221-K240 PolarHBondContact N-O 3.19Å; G221-G241 WeakPolarHBondContact O-CA 3.11Å | ||
| 222 | E | 59 | Low | 64.8 | Low | 133 Ų | 133 | 63.6 Ų | 63.6 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -91.7 | 134.4 | 164.7 | -77.2 | 163.3 | -167.9 | 0 | 0 | 107.7 | G203 E242 | G203-E222 WeakPolarHBondContact CA-O 3.34Å; G203-E222 PolarHBondContact N-O 2.88Å; E222-E242 HydrophobicContact CG-CB 4.44Å |
| 223 | G | 61.5 | Low | 65.1 | Low | 29 Ų | 29 | 58.9 Ų | 58.9 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | trans | 71.2 | 36.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q225 E242 | G223-Q225 PolarHBondContact O-N 3.33Å; G223-E242 PolarHBondContact N-O 3.44Å | ||
| 224 | A | 72 | Confident | 65.8 | Low | 19 Ų | 19 | 58.6 Ų | 58.6 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | trans | -63.1 | 122.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A204 N216 A244 Q245 | A204-A224 WeakPolarHBondContact O-CA 3.29Å; N216-A224 HydrophobicContact CB-CB 4.23Å; A224-A244 CarbonylContact O-C 3.6Å; A224-A244 WeakPolarHBondContact O-CA 3.15Å; A224-Q245 PolarHBondContact O-N 2.91Å | ||
| 225 | Q | 73.8 | Confident | 66.2 | Low | 60 Ų | 60 | 59.7 Ų | 59.7 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.6 | -175.8 | -71.6 | -172.3 | -20.6 | 0 | 0 | 111.4 | A204 Q205 N206 G223 Q245 | A204-Q225 PolarHBondContact O-N 3.2Å; Q205-Q225 CarbonylContact C-O 3.58Å; Q205-Q225 VanDerWaalsContact CA-O 3.26Å; Q205-Q225 WeakPolarHBondContact CA-O 2.94Å; Q205-Q225 HydrophobicContact CG-CB 4.19Å; N206-Q225 PolarHBondContact N-O 3.12Å; G223-Q225 PolarHBondContact O-N 3.33Å; Q225-Q245 CarbonylContact C-O 3.55Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.37Å; Q225-Q245 HydrophobicContact CG-CB 4.27Å |
| 226 | N | 73.9 | Confident | 66.4 | Low | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.1 | 170.1 | -58.7 | -49.2 | 0 | 0 | 0 | 110.2 | N206 A214 N216 A234 N236 Q245 N246 Q247 | N206-N226 WeakPolarHBondContact CB-OD1 3.48Å; N206-N226 PolarHBondContact ND2-OD1 3.02Å; N206-N226 WeakPolarHBondContact O-CA 2.88Å; A214-N226 HydrophobicContact CB-CB 4.28Å; N216-N226 PolarHBondContact ND2-ND2 2.74Å; N216-N226 PolarHBondContact ND2-OD1 3.37Å; N226-A234 HydrophobicContact CB-CB 4.06Å; N226-N236 PolarHBondContact ND2-ND2 3.27Å; N226-N236 PolarHBondContact ND2-OD1 2.92Å; N226-Q245 PolarHBondContact N-O 3.29Å; N226-N246 WeakPolarHBondContact CB-OD1 3.36Å; N226-N246 PolarHBondContact ND2-OD1 2.71Å; N226-N246 CarbonylContact O-C 3.48Å; N226-N246 WeakPolarHBondContact O-CA 3.47Å; N226-Q247 PolarHBondContact O-N 2.59Å |
| 227 | Q | 72.6 | Confident | 66.5 | Low | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.6 | 173 | -59 | -172.4 | 15.4 | 0 | 0 | 110.8 | N206 Q207 A208 Q247 | N206-Q227 PolarHBondContact O-N 3.49Å; Q207-Q227 WeakPolarHBondContact CA-O 3.33Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å; A208-Q227 PolarHBondContact N-O 3.23Å; Q227-Q247 WeakPolarHBondContact CA-O 3.23Å; Q227-Q247 HydrophobicContact CG-CB 4.32Å |
| 228 | A | 67.1 | Low | 66.4 | Low | 31 Ų | 31 | 57.4 Ų | 57.4 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A208 Q247 G248 K249 | A208-A228 WeakPolarHBondContact O-CA 3.29Å; A228-Q247 PolarHBondContact N-O 2.97Å; A228-G248 VanDerWaalsContact O-CA 3.28Å; A228-G248 WeakPolarHBondContact O-CA 3.02Å; A228-K249 PolarHBondContact O-N 2.65Å |
| 229 | K | 64.7 | Low | 66.5 | Low | 120 Ų | 120 | 61.9 Ų | 61.9 | 52% | 0.522 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -75 | -35.9 | 171 | -73.6 | -179.2 | -176.8 | 177.8 | 0 | 111.5 | A208 K209 K249 K250 | A208-K229 PolarHBondContact O-N 2.88Å; A208-K229 VanDerWaalsContact O-N 3.16Å; K209-K229 WeakPolarHBondContact O-CB 3.45Å; K229-K249 WeakPolarHBondContact O-CB 3.29Å; K229-K250 PolarHBondContact O-N 3.1Å |
| 230 | K | 60.2 | Low | 66.6 | Low | 119 Ų | 119 | 61.6 Ų | 61.6 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -155.4 | 122.4 | 177.3 | -146.3 | -175.1 | -178.2 | -165.3 | 0 | 107.8 | K210 G211 K250 | K210-K230 WeakPolarHBondContact CA-O 3.34Å; G211-K230 PolarHBondContact N-O 2.87Å; K230-K250 WeakPolarHBondContact CA-O 3.38Å; K230-K250 HydrophobicContact CG-CB 4.18Å |
| 231 | G | 57.6 | Low | 66.7 | Low | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 156.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G211 K250 G251 | G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3Å; G231-K250 PolarHBondContact N-O 3.33Å; G231-G251 WeakPolarHBondContact O-CA 3.26Å |
| 232 | E | 60.9 | Low | 67.1 | Low | 111 Ų | 111 | 59.4 Ų | 59.4 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.3 | 172 | -72.5 | 172.5 | -166.9 | 0 | 0 | 109.6 | G213 E252 | G213-E232 PolarHBondContact N-O 2.85Å; E232-E252 HydrophobicContact CG-CB 4.44Å |
| 233 | G | 63 | Low | 67.4 | Low | 31 Ų | 31 | 54.1 Ų | 54.1 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | trans | 80.3 | 43.3 | 153 | 0 | 0 | 0 | 0 | 0 | 118.4 | G213 Q235 E252 | G213-G233 WeakPolarHBondContact CA-O 3.25Å; G233-Q235 PolarHBondContact O-N 3.44Å; G233-E252 PolarHBondContact N-O 3.05Å | ||
| 234 | A | 73.5 | Confident | 68.1 | Low | 20 Ų | 20 | 53.7 Ų | 53.7 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | -69.1 | 117.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A214 N226 N246 A254 Q255 | A214-A234 WeakPolarHBondContact O-CA 3.22Å; N226-A234 HydrophobicContact CB-CB 4.06Å; A234-N246 HydrophobicContact CB-CB 4.35Å; A234-A254 CarbonylContact O-C 3.6Å; A234-A254 WeakPolarHBondContact O-CA 3.33Å; A234-Q255 PolarHBondContact O-N 3.26Å | ||
| 235 | Q | 75.7 | Confident | 68.3 | Low | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.3 | -175.5 | -169.6 | 179.8 | 28.2 | 0 | 0 | 112.3 | A214 Q215 N216 G233 Q237 Q255 | A214-Q235 PolarHBondContact O-N 3.13Å; Q215-Q235 VanDerWaalsContact CA-O 3.32Å; Q215-Q235 WeakPolarHBondContact CA-O 2.95Å; Q215-Q235 HydrophobicContact CG-CB 4.3Å; N216-Q235 PolarHBondContact N-O 2.82Å; G233-Q235 PolarHBondContact O-N 3.44Å; Q235-Q237 HydrophobicContact CG-CG 4.23Å; Q235-Q255 CarbonylContact C-O 3.55Å; Q235-Q255 VanDerWaalsContact CA-O 3.29Å; Q235-Q255 WeakPolarHBondContact CA-O 3.47Å; Q235-Q255 HydrophobicContact CG-CB 4.11Å |
| 236 | N | 75.4 | Confident | 68.5 | Low | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.6 | 173.3 | -59.7 | -51.9 | 0 | 0 | 0 | 110.1 | N216 N226 A244 N246 Q255 N256 Q257 | N216-N236 WeakPolarHBondContact CB-OD1 3.34Å; N216-N236 PolarHBondContact ND2-OD1 2.87Å; N216-N236 WeakPolarHBondContact O-CA 3.11Å; N226-N236 PolarHBondContact ND2-ND2 3.27Å; N226-N236 PolarHBondContact ND2-OD1 2.92Å; N236-A244 HydrophobicContact CB-CB 3.81Å; N236-N246 PolarHBondContact ND2-ND2 2.97Å; N236-N246 PolarHBondContact ND2-OD1 2.96Å; N236-Q255 PolarHBondContact N-O 3.05Å; N236-N256 WeakPolarHBondContact CB-OD1 3.29Å; N236-N256 PolarHBondContact ND2-OD1 2.99Å; N236-N256 CarbonylContact O-C 3.55Å; N236-N256 WeakPolarHBondContact O-CA 3.28Å; N236-Q257 PolarHBondContact O-N 3.08Å |
| 237 | Q | 74.3 | Confident | 68.6 | Low | 62 Ų | 62 | 55.6 Ų | 55.6 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.5 | 174.8 | -57.1 | -172.1 | 13.6 | 0 | 0 | 111.7 | N216 Q217 G218 Q235 Q257 | N216-Q237 PolarHBondContact O-N 3.43Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.28Å; G218-Q237 PolarHBondContact N-O 2.97Å; Q235-Q237 HydrophobicContact CG-CG 4.23Å; Q237-Q257 CarbonylContact C-O 3.6Å; Q237-Q257 WeakPolarHBondContact CA-O 3.32Å; Q237-Q257 HydrophobicContact CG-CB 4.27Å |
| 238 | A | 68.6 | Low | 68.4 | Low | 26 Ų | 26 | 53.3 Ų | 53.3 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | G218 Q257 A258 K259 | G218-A238 WeakPolarHBondContact O-CA 3.44Å; A238-Q257 PolarHBondContact N-O 3.15Å; A238-A258 WeakPolarHBondContact O-CA 3.39Å; A238-K259 PolarHBondContact O-N 3.08Å |
| 239 | K | 66.3 | Low | 68.4 | Low | 118 Ų | 118 | 57.1 Ų | 57.1 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -38.1 | 169.9 | -70.2 | -175.4 | -177.1 | -179.7 | 0 | 111.8 | G218 K219 K259 K260 | G218-K239 PolarHBondContact O-N 3.38Å; K219-K239 WeakPolarHBondContact O-CB 3.42Å; K239-K259 HydrophobicContact CG-CD 4.37Å; K239-K259 WeakPolarHBondContact O-CB 3.27Å; K239-K260 PolarHBondContact O-N 3.19Å |
| 240 | K | 63.9 | Low | 68.4 | Low | 118 Ų | 118 | 57 Ų | 57 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 125.2 | 169.6 | -167.3 | -173.9 | 178.9 | -163.2 | 0 | 107.1 | K219 K220 G221 K260 | K219-K240 PolarHBondContact O-N 3.42Å; K220-K240 VanDerWaalsContact CA-O 3.31Å; K220-K240 WeakPolarHBondContact CA-O 3.42Å; G221-K240 PolarHBondContact N-O 3.19Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.96Å |
| 241 | G | 61.2 | Low | 68.5 | Low | 12 Ų | 12 | 52.6 Ų | 52.6 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | trans | -173.3 | 152 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | G221 K260 G261 | G221-G241 WeakPolarHBondContact O-CA 3.11Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.1Å; G241-G261 VanDerWaalsContact O-CA 3.31Å; G241-G261 WeakPolarHBondContact O-CA 3.33Å | ||
| 242 | E | 64.1 | Low | 68.8 | Low | 97 Ų | 97 | 56.4 Ų | 56.4 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -110.4 | 131.1 | 176.5 | -70.7 | 171.6 | -177.6 | 0 | 0 | 108.7 | E222 G223 E262 | E222-E242 HydrophobicContact CG-CB 4.44Å; G223-E242 PolarHBondContact N-O 3.44Å; E242-E262 HydrophobicContact CB-CB 4.24Å; E242-E262 HydrophobicContact CG-CB 4.19Å; E242-E262 HydrophobicContact CG-CG 4.14Å |
| 243 | G | 65.3 | Low | 69.1 | Low | 21 Ų | 21 | 52.4 Ų | 52.4 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | trans | 69.3 | 52.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q245 E262 | G243-Q245 PolarHBondContact O-N 2.99Å; G243-E262 PolarHBondContact N-O 2.96Å | ||
| 244 | A | 75.6 | Confident | 69.7 | Low | 20 Ų | 20 | 52 Ų | 52 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | trans | -69.3 | 127.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A224 N236 N256 G264 Q265 | A224-A244 CarbonylContact O-C 3.6Å; A224-A244 WeakPolarHBondContact O-CA 3.15Å; N236-A244 HydrophobicContact CB-CB 3.81Å; A244-N256 HydrophobicContact CB-CB 4.41Å; A244-G264 CarbonylContact O-C 3.56Å; A244-G264 WeakPolarHBondContact O-CA 3.22Å; A244-Q265 PolarHBondContact O-N 3.12Å | ||
| 245 | Q | 77.6 | Confident | 70.1 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | -178.3 | -56.5 | -177.6 | -46.9 | 0 | 0 | 111.9 | A224 Q225 N226 G243 Q265 | A224-Q245 PolarHBondContact O-N 2.91Å; Q225-Q245 CarbonylContact C-O 3.55Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.37Å; Q225-Q245 HydrophobicContact CG-CB 4.27Å; N226-Q245 PolarHBondContact N-O 3.29Å; G243-Q245 PolarHBondContact O-N 2.99Å; Q245-Q265 CarbonylContact C-O 3.56Å; Q245-Q265 VanDerWaalsContact CA-O 3.27Å; Q245-Q265 WeakPolarHBondContact CA-O 2.86Å; Q245-Q265 HydrophobicContact CG-CB 4.21Å |
| 246 | N | 76.9 | Confident | 70.2 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.4 | 169.8 | -59.3 | -51.8 | 0 | 0 | 0 | 109.6 | N226 A234 N236 A254 N256 Q265 N266 Q267 | N226-N246 WeakPolarHBondContact CB-OD1 3.36Å; N226-N246 PolarHBondContact ND2-OD1 2.71Å; N226-N246 CarbonylContact O-C 3.48Å; N226-N246 WeakPolarHBondContact O-CA 3.47Å; A234-N246 HydrophobicContact CB-CB 4.35Å; N236-N246 PolarHBondContact ND2-ND2 2.97Å; N236-N246 PolarHBondContact ND2-OD1 2.96Å; N246-A254 HydrophobicContact CB-CB 4.08Å; N246-N256 PolarHBondContact ND2-ND2 2.87Å; N246-N256 PolarHBondContact ND2-OD1 3.44Å; N246-Q265 PolarHBondContact N-O 3.19Å; N246-N266 WeakPolarHBondContact CB-OD1 3.42Å; N246-N266 PolarHBondContact ND2-OD1 3.34Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.41Å; N246-Q267 PolarHBondContact O-N 3Å |
| 247 | Q | 75.8 | Confident | 70.3 | Confident | 73 Ų | 73 | 55 Ų | 55 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.5 | 177.1 | -58.2 | -172.2 | 13.9 | 0 | 0 | 111.6 | N226 Q227 A228 Q267 | N226-Q247 PolarHBondContact O-N 2.59Å; Q227-Q247 WeakPolarHBondContact CA-O 3.23Å; Q227-Q247 HydrophobicContact CG-CB 4.32Å; A228-Q247 PolarHBondContact N-O 2.97Å; Q247-Q267 CarbonylContact C-O 3.22Å; Q247-Q267 WeakPolarHBondContact CA-O 3.43Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å |
| 248 | G | 68.8 | Low | 70.1 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 24% | 0.237 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 141.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A228 Q267 A268 K269 | A228-G248 VanDerWaalsContact O-CA 3.28Å; A228-G248 WeakPolarHBondContact O-CA 3.02Å; G248-Q267 PolarHBondContact N-O 3.26Å; G248-A268 VanDerWaalsContact O-CA 3.29Å; G248-A268 WeakPolarHBondContact O-CA 2.93Å; G248-K269 PolarHBondContact O-N 2.93Å |
| 249 | K | 67.1 | Low | 70.2 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 48% | 0.478 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -42.2 | 165.1 | -66.3 | -175 | -177.7 | -176.4 | 0 | 111.6 | A228 K229 K269 K270 | A228-K249 PolarHBondContact O-N 2.65Å; K229-K249 WeakPolarHBondContact O-CB 3.29Å; K249-K269 HydrophobicContact CG-CD 4.39Å; K249-K269 WeakPolarHBondContact O-CB 3.12Å; K249-K270 PolarHBondContact O-N 3.03Å; K249-K270 VanDerWaalsContact O-N 3.15Å |
| 250 | K | 65.3 | Low | 70.3 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 124.9 | 172.1 | -72.2 | -176.1 | 179.1 | -178.8 | 0 | 108 | K229 K230 G231 K270 | K229-K250 PolarHBondContact O-N 3.1Å; K230-K250 WeakPolarHBondContact CA-O 3.38Å; K230-K250 HydrophobicContact CG-CB 4.18Å; G231-K250 PolarHBondContact N-O 3.33Å; K250-K270 VanDerWaalsContact CA-O 3.28Å; K250-K270 WeakPolarHBondContact CA-O 3.38Å; K250-K270 HydrophobicContact CG-CB 4.38Å |
| 251 | G | 61.1 | Low | 70.3 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | 153.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | G231 K270 G271 E272 | G231-G251 WeakPolarHBondContact O-CA 3.26Å; G251-K270 PolarHBondContact N-O 3.05Å; G251-G271 WeakPolarHBondContact O-CA 3.31Å; G251-E272 PolarHBondContact O-N 2.97Å |
| 252 | E | 65.4 | Low | 70.5 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 142.1 | 175.7 | -65.8 | 173.7 | -166.6 | 0 | 0 | 108.6 | E232 G233 E272 | E232-E252 HydrophobicContact CG-CB 4.44Å; G233-E252 PolarHBondContact N-O 3.05Å; E252-E272 CarbonylContact C-O 3.54Å; E252-E272 WeakPolarHBondContact CA-O 3.37Å; E252-E272 HydrophobicContact CG-CB 4.34Å |
| 253 | G | 66.2 | Low | 70.6 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | trans | 77.1 | 36.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q255 E272 | G253-Q255 PolarHBondContact O-N 2.85Å; G253-E272 PolarHBondContact N-O 2.9Å | ||
| 254 | A | 76.7 | Confident | 71 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | trans | -69.7 | 118.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A234 N246 N266 A274 Q275 | A234-A254 CarbonylContact O-C 3.6Å; A234-A254 WeakPolarHBondContact O-CA 3.33Å; N246-A254 HydrophobicContact CB-CB 4.08Å; A254-N266 HydrophobicContact CB-CB 4.35Å; A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.35Å; A254-Q275 PolarHBondContact O-N 2.9Å | ||
| 255 | Q | 80.1 | Confident | 71.3 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.9 | -174.8 | -68.3 | -171.4 | -16.5 | 0 | 0 | 112.3 | A234 Q235 N236 G253 Q275 | A234-Q255 PolarHBondContact O-N 3.26Å; Q235-Q255 CarbonylContact C-O 3.55Å; Q235-Q255 VanDerWaalsContact CA-O 3.29Å; Q235-Q255 WeakPolarHBondContact CA-O 3.47Å; Q235-Q255 HydrophobicContact CG-CB 4.11Å; N236-Q255 PolarHBondContact N-O 3.05Å; G253-Q255 PolarHBondContact O-N 2.85Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.42Å; Q255-Q275 HydrophobicContact CG-CB 4.27Å |
| 256 | N | 78.9 | Confident | 71.4 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.4 | 168.6 | -57.8 | -53.3 | 0 | 0 | 0 | 110.3 | N236 A244 N246 N266 Q275 N276 Q277 | N236-N256 WeakPolarHBondContact CB-OD1 3.29Å; N236-N256 PolarHBondContact ND2-OD1 2.99Å; N236-N256 CarbonylContact O-C 3.55Å; N236-N256 WeakPolarHBondContact O-CA 3.28Å; A244-N256 HydrophobicContact CB-CB 4.41Å; N246-N256 PolarHBondContact ND2-ND2 2.87Å; N246-N256 PolarHBondContact ND2-OD1 3.44Å; N256-N266 PolarHBondContact ND2-OD1 3.49Å; N256-Q275 PolarHBondContact N-O 3.06Å; N256-N276 WeakPolarHBondContact CB-OD1 3.49Å; N256-N276 PolarHBondContact ND2-OD1 2.69Å; N256-N276 CarbonylContact O-C 3.54Å; N256-N276 WeakPolarHBondContact O-CA 3.29Å; N256-Q277 PolarHBondContact O-N 3.04Å |
| 257 | Q | 76.9 | Confident | 71.5 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.6 | 176.6 | -57.1 | -172.5 | 15.3 | 0 | 0 | 111.2 | N236 Q237 A238 Q277 | N236-Q257 PolarHBondContact O-N 3.08Å; Q237-Q257 CarbonylContact C-O 3.6Å; Q237-Q257 WeakPolarHBondContact CA-O 3.32Å; Q237-Q257 HydrophobicContact CG-CB 4.27Å; A238-Q257 PolarHBondContact N-O 3.15Å; Q257-Q277 VanDerWaalsContact CA-O 3.3Å; Q257-Q277 WeakPolarHBondContact CA-O 3.4Å; Q257-Q277 HydrophobicContact CG-CB 4.33Å |
| 258 | A | 71.2 | Confident | 71.4 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A238 Q277 G278 K279 | A238-A258 WeakPolarHBondContact O-CA 3.39Å; A258-Q277 PolarHBondContact N-O 3.08Å; A258-G278 WeakPolarHBondContact O-CA 3.33Å; A258-K279 PolarHBondContact O-N 2.8Å |
| 259 | K | 69.3 | Low | 71.4 | Confident | 109 Ų | 109 | 58 Ų | 58 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -74.8 | -33.5 | 173.3 | -70.4 | -178.9 | -175.9 | 178.5 | 0 | 112.3 | A238 K239 K279 K280 | A238-K259 PolarHBondContact O-N 3.08Å; K239-K259 HydrophobicContact CG-CD 4.37Å; K239-K259 WeakPolarHBondContact O-CB 3.27Å; K259-K279 HydrophobicContact CG-CD 4.44Å; K259-K279 WeakPolarHBondContact O-CB 3.42Å; K259-K280 PolarHBondContact O-N 3Å |
| 260 | K | 68.1 | Low | 71.5 | Confident | 119 Ų | 119 | 58.5 Ų | 58.5 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -154.9 | 129.9 | 177.5 | -169.4 | -179.7 | 179.5 | -174.4 | 0 | 110.9 | K239 K240 G241 K280 | K239-K260 PolarHBondContact O-N 3.19Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.96Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.1Å; K260-K280 WeakPolarHBondContact CA-O 3.46Å |
| 261 | G | 64.3 | Low | 71.4 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 137.4 | -173.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G241 K280 G281 | G241-G261 VanDerWaalsContact O-CA 3.31Å; G241-G261 WeakPolarHBondContact O-CA 3.33Å; G261-K280 PolarHBondContact N-O 3.08Å; G261-K280 VanDerWaalsContact N-O 3.16Å; G261-G281 WeakPolarHBondContact O-CA 3.44Å |
| 262 | E | 65.8 | Low | 71.7 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -62.6 | 139 | 176.5 | -66.6 | -173.2 | 164.5 | 0 | 0 | 111.4 | E242 G243 | E242-E262 HydrophobicContact CB-CB 4.24Å; E242-E262 HydrophobicContact CG-CB 4.19Å; E242-E262 HydrophobicContact CG-CG 4.14Å; G243-E262 PolarHBondContact N-O 2.96Å |
| 263 | G | 66.1 | Low | 71.8 | Confident | 15 Ų | 15 | 53 Ų | 53 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 161.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E282 | G263-E282 WeakPolarHBondContact CA-O 3.43Å; G263-E282 PolarHBondContact N-O 2.96Å |
| 264 | G | 74 | Confident | 72.5 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 151.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A244 N276 A284 Q285 | A244-G264 CarbonylContact O-C 3.56Å; A244-G264 WeakPolarHBondContact O-CA 3.22Å; G264-N276 PolarHBondContact O-ND2 2.97Å; G264-A284 WeakPolarHBondContact O-CA 3.26Å; G264-Q285 PolarHBondContact O-N 3.31Å |
| 265 | Q | 81.1 | Confident | 72.8 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.9 | 174.2 | -57.7 | -177.8 | -9.7 | 0 | 0 | 110.4 | A244 Q245 N246 Q285 | A244-Q265 PolarHBondContact O-N 3.12Å; Q245-Q265 CarbonylContact C-O 3.56Å; Q245-Q265 VanDerWaalsContact CA-O 3.27Å; Q245-Q265 WeakPolarHBondContact CA-O 2.86Å; Q245-Q265 HydrophobicContact CG-CB 4.21Å; N246-Q265 PolarHBondContact N-O 3.19Å; Q265-Q285 CarbonylContact C-O 3.56Å; Q265-Q285 VanDerWaalsContact CA-O 3.28Å; Q265-Q285 WeakPolarHBondContact CA-O 3.18Å; Q265-Q285 HydrophobicContact CG-CB 4.27Å |
| 266 | N | 81.2 | Confident | 72.9 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.3 | 172.2 | -58.9 | -50.5 | 0 | 0 | 0 | 109.8 | N246 A254 N256 A274 N276 Q285 N286 Q287 | N246-N266 WeakPolarHBondContact CB-OD1 3.42Å; N246-N266 PolarHBondContact ND2-OD1 3.34Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.41Å; A254-N266 HydrophobicContact CB-CB 4.35Å; N256-N266 PolarHBondContact ND2-OD1 3.49Å; N266-A274 HydrophobicContact CB-CB 3.97Å; N266-N276 PolarHBondContact ND2-OD1 3.42Å; N266-Q285 PolarHBondContact N-O 3.38Å; N266-N286 WeakPolarHBondContact CB-OD1 3.3Å; N266-N286 PolarHBondContact ND2-OD1 2.97Å; N266-N286 CarbonylContact O-C 3.46Å; N266-N286 WeakPolarHBondContact O-CA 3.18Å; N266-Q287 PolarHBondContact O-N 3.25Å |
| 267 | Q | 78.7 | Confident | 72.9 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.3 | 176 | -58.7 | -171.5 | 13.8 | 0 | 0 | 110.8 | N246 Q247 G248 Q287 | N246-Q267 PolarHBondContact O-N 3Å; Q247-Q267 CarbonylContact C-O 3.22Å; Q247-Q267 WeakPolarHBondContact CA-O 3.43Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å; G248-Q267 PolarHBondContact N-O 3.26Å; Q267-Q287 CarbonylContact C-O 3.58Å; Q267-Q287 VanDerWaalsContact CA-O 3.32Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å |
| 268 | A | 72.6 | Confident | 72.7 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G248 Q287 G288 K289 | G248-A268 VanDerWaalsContact O-CA 3.29Å; G248-A268 WeakPolarHBondContact O-CA 2.93Å; A268-Q287 PolarHBondContact N-O 3.08Å; A268-G288 WeakPolarHBondContact O-CA 3.31Å; A268-K289 PolarHBondContact O-N 3.37Å |
| 269 | K | 70.1 | Confident | 72.7 | Confident | 113 Ų | 113 | 56.4 Ų | 56.4 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -42.6 | 171.2 | -71 | -176.9 | -176.6 | -179.4 | 0 | 111.3 | G248 K249 K289 K290 | G248-K269 PolarHBondContact O-N 2.93Å; K249-K269 HydrophobicContact CG-CD 4.39Å; K249-K269 WeakPolarHBondContact O-CB 3.12Å; K269-K289 HydrophobicContact CG-CD 4.46Å; K269-K289 WeakPolarHBondContact O-CB 3.27Å; K269-K290 PolarHBondContact O-N 2.83Å; K269-K290 VanDerWaalsContact O-N 3.14Å |
| 270 | K | 67.9 | Low | 72.7 | Confident | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 126.4 | 168.9 | -168.5 | -174.1 | -179.1 | -161.1 | 0 | 107.8 | K249 K250 G251 K290 | K249-K270 PolarHBondContact O-N 3.03Å; K249-K270 VanDerWaalsContact O-N 3.15Å; K250-K270 VanDerWaalsContact CA-O 3.28Å; K250-K270 WeakPolarHBondContact CA-O 3.38Å; K250-K270 HydrophobicContact CG-CB 4.38Å; G251-K270 PolarHBondContact N-O 3.05Å; K270-K290 VanDerWaalsContact CA-O 3.27Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CB 4.27Å |
| 271 | G | 64.3 | Low | 72.5 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | 158.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G251 K290 G291 E292 | G251-G271 WeakPolarHBondContact O-CA 3.31Å; G271-K290 PolarHBondContact N-O 2.8Å; G271-K290 VanDerWaalsContact N-O 3.11Å; G271-G291 WeakPolarHBondContact O-CA 3.4Å; G271-E292 PolarHBondContact O-N 3.01Å |
| 272 | E | 67.6 | Low | 72.7 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.9 | 179.6 | -62.6 | 176.1 | -166.9 | 0 | 0 | 109.6 | G251 E252 G253 E292 | G251-E272 PolarHBondContact O-N 2.97Å; E252-E272 CarbonylContact C-O 3.54Å; E252-E272 WeakPolarHBondContact CA-O 3.37Å; E252-E272 HydrophobicContact CG-CB 4.34Å; G253-E272 PolarHBondContact N-O 2.9Å; E272-E292 CarbonylContact C-O 3.6Å; E272-E292 WeakPolarHBondContact CA-O 3.23Å; E272-E292 HydrophobicContact CG-CB 4.23Å |
| 273 | G | 67.4 | Low | 72.9 | Confident | 24 Ų | 24 | 53 Ų | 53 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | trans | 73.1 | 37 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q275 E292 | G273-Q275 PolarHBondContact O-N 2.92Å; G273-E292 PolarHBondContact N-O 3.15Å | ||
| 274 | A | 79.9 | Confident | 73.6 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | trans | -71.7 | 117.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | A254 N266 N286 A294 Q295 | A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.35Å; N266-A274 HydrophobicContact CB-CB 3.97Å; A274-N286 HydrophobicContact CB-CB 4.37Å; A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.21Å; A274-Q295 PolarHBondContact O-N 3.19Å | ||
| 275 | Q | 83.1 | Confident | 74.1 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.4 | -175.6 | -58.6 | -179.9 | -41.8 | 0 | 0 | 112.2 | A254 Q255 N256 G273 Q295 | A254-Q275 PolarHBondContact O-N 2.9Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.42Å; Q255-Q275 HydrophobicContact CG-CB 4.27Å; N256-Q275 PolarHBondContact N-O 3.06Å; G273-Q275 PolarHBondContact O-N 2.92Å; Q275-Q295 CarbonylContact C-O 3.54Å; Q275-Q295 VanDerWaalsContact CA-O 3.27Å; Q275-Q295 WeakPolarHBondContact CA-O 3.47Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å |
| 276 | N | 82.5 | Confident | 74.2 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.6 | 168 | -59.3 | -55.6 | 0 | 0 | 0 | 109.5 | N256 G264 N266 A284 N286 Q295 N296 Q297 | N256-N276 WeakPolarHBondContact CB-OD1 3.49Å; N256-N276 PolarHBondContact ND2-OD1 2.69Å; N256-N276 CarbonylContact O-C 3.54Å; N256-N276 WeakPolarHBondContact O-CA 3.29Å; G264-N276 PolarHBondContact O-ND2 2.97Å; N266-N276 PolarHBondContact ND2-OD1 3.42Å; N276-A284 HydrophobicContact CB-CB 3.84Å; N276-N286 PolarHBondContact ND2-OD1 2.82Å; N276-Q295 PolarHBondContact N-O 3.44Å; N276-N296 WeakPolarHBondContact CB-OD1 3.45Å; N276-N296 PolarHBondContact ND2-OD1 2.97Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.34Å; N276-Q297 PolarHBondContact O-N 3.06Å |
| 277 | Q | 80 | Confident | 74.3 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134 | 179 | -58.8 | -173.8 | 14.3 | 0 | 0 | 111.6 | N256 Q257 A258 Q297 | N256-Q277 PolarHBondContact O-N 3.04Å; Q257-Q277 VanDerWaalsContact CA-O 3.3Å; Q257-Q277 WeakPolarHBondContact CA-O 3.4Å; Q257-Q277 HydrophobicContact CG-CB 4.33Å; A258-Q277 PolarHBondContact N-O 3.08Å; Q277-Q297 CarbonylContact C-O 3.58Å; Q277-Q297 WeakPolarHBondContact CA-O 3.05Å; Q277-Q297 HydrophobicContact CG-CB 4.37Å |
| 278 | G | 71.7 | Confident | 74 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 24% | 0.237 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | A258 Q297 A298 K299 | A258-G278 WeakPolarHBondContact O-CA 3.33Å; G278-Q297 PolarHBondContact N-O 2.94Å; G278-A298 CarbonylContact O-C 3.56Å; G278-A298 VanDerWaalsContact O-CA 3.29Å; G278-A298 WeakPolarHBondContact O-CA 3.38Å; G278-K299 PolarHBondContact O-N 2.84Å |
| 279 | K | 72 | Confident | 74.1 | Confident | 107 Ų | 107 | 57 Ų | 57 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -41.9 | 171.3 | -63.7 | -174.1 | -179.1 | -174.3 | 0 | 111.7 | A258 K259 K299 K300 | A258-K279 PolarHBondContact O-N 2.8Å; K259-K279 HydrophobicContact CG-CD 4.44Å; K259-K279 WeakPolarHBondContact O-CB 3.42Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.17Å; K279-K300 PolarHBondContact O-N 2.82Å |
| 280 | K | 68.8 | Low | 74.2 | Confident | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 119.1 | 172.6 | -72.2 | -173.1 | 178.6 | -177.7 | 0 | 108.3 | K259 K260 G261 K300 | K259-K280 PolarHBondContact O-N 3Å; K260-K280 WeakPolarHBondContact CA-O 3.46Å; G261-K280 PolarHBondContact N-O 3.08Å; G261-K280 VanDerWaalsContact N-O 3.16Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.07Å; K280-K300 HydrophobicContact CG-CB 4.32Å |
| 281 | G | 64.4 | Low | 74 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 24% | 0.237 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | 157.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G261 K300 G301 E302 | G261-G281 WeakPolarHBondContact O-CA 3.44Å; G281-K300 PolarHBondContact N-O 3.33Å; G281-K300 VanDerWaalsContact N-O 3.16Å; G281-G301 WeakPolarHBondContact O-CA 3.27Å; G281-E302 PolarHBondContact O-N 2.88Å |
| 282 | E | 68.5 | Low | 74.3 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.5 | -176.4 | -68.2 | 168.9 | -162.5 | 0 | 0 | 109 | G263 E302 | G263-E282 WeakPolarHBondContact CA-O 3.43Å; G263-E282 PolarHBondContact N-O 2.96Å; E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.29Å; E282-E302 HydrophobicContact CG-CB 4.27Å |
| 283 | G | 68.1 | Low | 74.3 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | trans | 77.5 | 32.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q285 E302 | G283-Q285 PolarHBondContact O-N 3.02Å; G283-E302 PolarHBondContact N-O 3.33Å | ||
| 284 | A | 81.6 | Confident | 75 | Confident | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | trans | -67.9 | 123.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G264 N276 N296 A304 Q305 | G264-A284 WeakPolarHBondContact O-CA 3.26Å; N276-A284 HydrophobicContact CB-CB 3.84Å; A284-N296 HydrophobicContact CB-CB 4.37Å; A284-A304 CarbonylContact O-C 3.56Å; A284-A304 WeakPolarHBondContact O-CA 3.39Å; A284-Q305 PolarHBondContact O-N 3.15Å | ||
| 285 | Q | 84.5 | Confident | 75.3 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.8 | -174.8 | -63.6 | -177.1 | -31.7 | 0 | 0 | 112.2 | G264 Q265 N266 G283 Q305 | G264-Q285 PolarHBondContact O-N 3.31Å; Q265-Q285 CarbonylContact C-O 3.56Å; Q265-Q285 VanDerWaalsContact CA-O 3.28Å; Q265-Q285 WeakPolarHBondContact CA-O 3.18Å; Q265-Q285 HydrophobicContact CG-CB 4.27Å; N266-Q285 PolarHBondContact N-O 3.38Å; G283-Q285 PolarHBondContact O-N 3.02Å; Q285-Q305 CarbonylContact C-O 3.53Å; Q285-Q305 VanDerWaalsContact CA-O 3.31Å; Q285-Q305 WeakPolarHBondContact CA-O 3.39Å; Q285-Q305 HydrophobicContact CG-CB 4.28Å |
| 286 | N | 84.1 | Confident | 75.3 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.4 | 166.7 | -58.3 | -54.5 | 0 | 0 | 0 | 109.4 | N266 A274 N276 A294 N296 Q305 N306 Q307 | N266-N286 WeakPolarHBondContact CB-OD1 3.3Å; N266-N286 PolarHBondContact ND2-OD1 2.97Å; N266-N286 CarbonylContact O-C 3.46Å; N266-N286 WeakPolarHBondContact O-CA 3.18Å; A274-N286 HydrophobicContact CB-CB 4.37Å; N276-N286 PolarHBondContact ND2-OD1 2.82Å; N286-A294 HydrophobicContact CB-CB 3.98Å; N286-N296 PolarHBondContact ND2-OD1 3.19Å; N286-Q305 PolarHBondContact N-O 2.95Å; N286-N306 WeakPolarHBondContact CB-OD1 2.88Å; N286-N306 PolarHBondContact ND2-OD1 3.47Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 2.96Å; N286-Q307 PolarHBondContact O-N 3.05Å |
| 287 | Q | 81.7 | Confident | 75.3 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.2 | 178.4 | -58.3 | -174.2 | 15.6 | 0 | 0 | 111.3 | N266 Q267 A268 Q307 | N266-Q287 PolarHBondContact O-N 3.25Å; Q267-Q287 CarbonylContact C-O 3.58Å; Q267-Q287 VanDerWaalsContact CA-O 3.32Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å; A268-Q287 PolarHBondContact N-O 3.08Å; Q287-Q307 CarbonylContact C-O 3.52Å; Q287-Q307 WeakPolarHBondContact CA-O 3.33Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å |
| 288 | G | 73.2 | Confident | 75.2 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 24% | 0.237 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 161.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117 | A268 Q307 A308 K309 | A268-G288 WeakPolarHBondContact O-CA 3.31Å; G288-Q307 PolarHBondContact N-O 2.89Å; G288-A308 VanDerWaalsContact O-CA 3.27Å; G288-A308 WeakPolarHBondContact O-CA 3.33Å; G288-K309 PolarHBondContact O-N 2.99Å; G288-K309 VanDerWaalsContact O-N 3.11Å |
| 289 | K | 74.2 | Confident | 75.3 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -41.1 | 173.3 | -60.8 | -175.2 | -179.9 | -173.9 | 0 | 111.4 | A268 K269 K309 K310 | A268-K289 PolarHBondContact O-N 3.37Å; K269-K289 HydrophobicContact CG-CD 4.46Å; K269-K289 WeakPolarHBondContact O-CB 3.27Å; K289-K309 HydrophobicContact CG-CD 4.45Å; K289-K309 WeakPolarHBondContact O-CB 3.3Å; K289-K310 PolarHBondContact O-N 2.82Å |
| 290 | K | 71.8 | Confident | 75.3 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 125.8 | 171.1 | -70.4 | -174.1 | 179.3 | -176.6 | 0 | 108 | K269 K270 G271 K310 | K269-K290 PolarHBondContact O-N 2.83Å; K269-K290 VanDerWaalsContact O-N 3.14Å; K270-K290 VanDerWaalsContact CA-O 3.27Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CB 4.27Å; G271-K290 PolarHBondContact N-O 2.8Å; G271-K290 VanDerWaalsContact N-O 3.11Å; K290-K310 VanDerWaalsContact CA-O 3.27Å; K290-K310 WeakPolarHBondContact CA-O 2.86Å; K290-K310 HydrophobicContact CG-CB 4.34Å |
| 291 | G | 65 | Low | 75.2 | Confident | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 156.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G271 K310 G311 E312 | G271-G291 WeakPolarHBondContact O-CA 3.4Å; G291-K310 PolarHBondContact N-O 3.1Å; G291-K310 VanDerWaalsContact N-O 3.1Å; G291-G311 WeakPolarHBondContact O-CA 2.81Å; G291-E312 PolarHBondContact O-N 2.94Å |
| 292 | E | 69.4 | Low | 75.5 | Confident | 96 Ų | 96 | 56.2 Ų | 56.2 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145 | -178.5 | -60.4 | 176.3 | -168.1 | 0 | 0 | 109.5 | G271 E272 G273 E312 | G271-E292 PolarHBondContact O-N 3.01Å; E272-E292 CarbonylContact C-O 3.6Å; E272-E292 WeakPolarHBondContact CA-O 3.23Å; E272-E292 HydrophobicContact CG-CB 4.23Å; G273-E292 PolarHBondContact N-O 3.15Å; E292-E312 CarbonylContact C-O 3.47Å; E292-E312 VanDerWaalsContact CA-O 3.31Å; E292-E312 WeakPolarHBondContact CA-O 3.41Å; E292-E312 HydrophobicContact CG-CB 4.25Å |
| 293 | G | 69.2 | Low | 75.5 | Confident | 25 Ų | 25 | 52 Ų | 52 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | trans | 72.6 | 37.5 | 168 | 0 | 0 | 0 | 0 | 0 | 116 | Q295 E312 | G293-Q295 PolarHBondContact O-N 2.97Å; G293-E312 PolarHBondContact N-O 3.28Å | ||
| 294 | A | 81.8 | Confident | 76.2 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | trans | -72.4 | 118.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A274 N286 N306 A314 Q315 | A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.21Å; N286-A294 HydrophobicContact CB-CB 3.98Å; A294-N306 HydrophobicContact CB-CB 4.36Å; A294-A314 CarbonylContact O-C 3.54Å; A294-A314 WeakPolarHBondContact O-CA 2.94Å; A294-Q315 PolarHBondContact O-N 3.04Å | ||
| 295 | Q | 84.9 | Confident | 76.4 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130 | -175.7 | -59.9 | -178.5 | -33.6 | 0 | 0 | 112.5 | A274 Q275 N276 G293 Q315 | A274-Q295 PolarHBondContact O-N 3.19Å; Q275-Q295 CarbonylContact C-O 3.54Å; Q275-Q295 VanDerWaalsContact CA-O 3.27Å; Q275-Q295 WeakPolarHBondContact CA-O 3.47Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å; N276-Q295 PolarHBondContact N-O 3.44Å; G293-Q295 PolarHBondContact O-N 2.97Å; Q295-Q315 CarbonylContact C-O 3.56Å; Q295-Q315 VanDerWaalsContact CA-O 3.28Å; Q295-Q315 WeakPolarHBondContact CA-O 3.31Å; Q295-Q315 HydrophobicContact CG-CB 4.27Å |
| 296 | N | 84.8 | Confident | 76.4 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.9 | 168.7 | -58.1 | -51.9 | 0 | 0 | 0 | 109.8 | N276 A284 N286 A304 N306 Q315 N316 Q317 | N276-N296 WeakPolarHBondContact CB-OD1 3.45Å; N276-N296 PolarHBondContact ND2-OD1 2.97Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.34Å; A284-N296 HydrophobicContact CB-CB 4.37Å; N286-N296 PolarHBondContact ND2-OD1 3.19Å; N296-A304 HydrophobicContact CB-CB 3.88Å; N296-N306 PolarHBondContact ND2-OD1 2.69Å; N296-Q315 PolarHBondContact N-O 3.05Å; N296-N316 WeakPolarHBondContact CB-OD1 3.25Å; N296-N316 PolarHBondContact ND2-OD1 3.09Å; N296-N316 CarbonylContact O-C 3.36Å; N296-N316 WeakPolarHBondContact O-CA 3.42Å; N296-Q317 PolarHBondContact O-N 3.08Å |
| 297 | Q | 82.1 | Confident | 76.4 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.7 | 178.6 | -58.9 | -172.8 | 18.8 | 0 | 0 | 111.2 | N276 Q277 G278 Q317 | N276-Q297 PolarHBondContact O-N 3.06Å; Q277-Q297 CarbonylContact C-O 3.58Å; Q277-Q297 WeakPolarHBondContact CA-O 3.05Å; Q277-Q297 HydrophobicContact CG-CB 4.37Å; G278-Q297 PolarHBondContact N-O 2.94Å; Q297-Q317 WeakPolarHBondContact CA-O 3.22Å; Q297-Q317 HydrophobicContact CG-CB 4.35Å |
| 298 | A | 77.1 | Confident | 76.3 | Confident | 31 Ų | 31 | 52 Ų | 52 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G278 Q317 G318 K319 | G278-A298 CarbonylContact O-C 3.56Å; G278-A298 VanDerWaalsContact O-CA 3.29Å; G278-A298 WeakPolarHBondContact O-CA 3.38Å; A298-Q317 PolarHBondContact N-O 3.02Å; A298-G318 VanDerWaalsContact O-CA 3.26Å; A298-G318 WeakPolarHBondContact O-CA 3.48Å; A298-K319 PolarHBondContact O-N 2.96Å |
| 299 | K | 74.2 | Confident | 76.4 | Confident | 111 Ų | 111 | 56 Ų | 56 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -42.6 | 168.9 | -69.5 | -176 | -177.6 | -178.2 | 0 | 111.3 | G278 K279 K319 K320 | G278-K299 PolarHBondContact O-N 2.84Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.17Å; K299-K319 HydrophobicContact CG-CD 4.47Å; K299-K319 WeakPolarHBondContact O-CB 3.33Å; K299-K320 PolarHBondContact O-N 2.89Å; K299-K320 VanDerWaalsContact O-N 3.08Å |
| 300 | K | 72.6 | Confident | 76.5 | Confident | 117 Ų | 117 | 56.4 Ų | 56.4 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 124.7 | 168.5 | -167.8 | -172.8 | 179.8 | -160.9 | 0 | 107.9 | K279 K280 G281 K320 | K279-K300 PolarHBondContact O-N 2.82Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.07Å; K280-K300 HydrophobicContact CG-CB 4.32Å; G281-K300 PolarHBondContact N-O 3.33Å; G281-K300 VanDerWaalsContact N-O 3.16Å; K300-K320 CarbonylContact C-O 3.54Å; K300-K320 VanDerWaalsContact CA-O 3.23Å; K300-K320 WeakPolarHBondContact CA-O 3.39Å; K300-K320 HydrophobicContact CG-CB 4.23Å |
| 301 | G | 65.7 | Low | 76.2 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175 | 158.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G281 K320 G321 E322 | G281-G301 WeakPolarHBondContact O-CA 3.27Å; G301-K320 PolarHBondContact N-O 2.81Å; G301-K320 VanDerWaalsContact N-O 3.07Å; G301-G321 WeakPolarHBondContact O-CA 3.19Å; G301-E322 PolarHBondContact O-N 2.93Å |
| 302 | E | 70 | Confident | 76.6 | Confident | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148.5 | -178.8 | -63.3 | 171.1 | -163.8 | 0 | 0 | 109.7 | G281 E282 G283 E322 | G281-E302 PolarHBondContact O-N 2.88Å; E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.29Å; E282-E302 HydrophobicContact CG-CB 4.27Å; G283-E302 PolarHBondContact N-O 3.33Å; E302-E322 WeakPolarHBondContact CA-O 2.99Å; E302-E322 HydrophobicContact CG-CB 4.27Å |
| 303 | G | 69.9 | Low | 76.6 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | trans | 72.8 | 37 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q305 E322 | G303-Q305 PolarHBondContact O-N 2.97Å; G303-E322 PolarHBondContact N-O 3.46Å | ||
| 304 | A | 82.2 | Confident | 77.2 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | trans | -71.7 | 121.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A284 N296 N316 A324 Q325 | A284-A304 CarbonylContact O-C 3.56Å; A284-A304 WeakPolarHBondContact O-CA 3.39Å; N296-A304 HydrophobicContact CB-CB 3.88Å; A304-N316 HydrophobicContact CB-CB 4.38Å; A304-A324 CarbonylContact O-C 3.59Å; A304-A324 WeakPolarHBondContact O-CA 3.31Å; A304-Q325 PolarHBondContact O-N 2.83Å | ||
| 305 | Q | 85.4 | Confident | 77.4 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.7 | -175.8 | -61 | -179.8 | -31.8 | 0 | 0 | 112.5 | A284 Q285 N286 G303 Q325 | A284-Q305 PolarHBondContact O-N 3.15Å; Q285-Q305 CarbonylContact C-O 3.53Å; Q285-Q305 VanDerWaalsContact CA-O 3.31Å; Q285-Q305 WeakPolarHBondContact CA-O 3.39Å; Q285-Q305 HydrophobicContact CG-CB 4.28Å; N286-Q305 PolarHBondContact N-O 2.95Å; G303-Q305 PolarHBondContact O-N 2.97Å; Q305-Q325 CarbonylContact C-O 3.53Å; Q305-Q325 VanDerWaalsContact CA-O 3.31Å; Q305-Q325 WeakPolarHBondContact CA-O 3.39Å; Q305-Q325 HydrophobicContact CG-CB 4.27Å |
| 306 | N | 85.4 | Confident | 77.4 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.8 | 168.4 | -58 | -51.8 | 0 | 0 | 0 | 109.8 | N286 A294 N296 A314 N316 Q325 N326 Q327 | N286-N306 WeakPolarHBondContact CB-OD1 2.88Å; N286-N306 PolarHBondContact ND2-OD1 3.47Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 2.96Å; A294-N306 HydrophobicContact CB-CB 4.36Å; N296-N306 PolarHBondContact ND2-OD1 2.69Å; N306-A314 HydrophobicContact CB-CB 4Å; N306-N316 PolarHBondContact ND2-OD1 3.47Å; N306-Q325 PolarHBondContact N-O 2.95Å; N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.98Å; N306-N326 CarbonylContact O-C 3.57Å; N306-N326 WeakPolarHBondContact O-CA 3.41Å; N306-Q327 PolarHBondContact O-N 2.83Å |
| 307 | Q | 83.5 | Confident | 77.3 | Confident | 74 Ų | 74 | 54 Ų | 54 | 35% | 0.346 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124 | 178.3 | -59.6 | -173.3 | 19 | 0 | 0 | 111.3 | N286 Q287 G288 Q327 | N286-Q307 PolarHBondContact O-N 3.05Å; Q287-Q307 CarbonylContact C-O 3.52Å; Q287-Q307 WeakPolarHBondContact CA-O 3.33Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å; G288-Q307 PolarHBondContact N-O 2.89Å; Q307-Q327 WeakPolarHBondContact CA-O 3.37Å; Q307-Q327 HydrophobicContact CG-CB 4.36Å |
| 308 | A | 79.3 | Confident | 76.8 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G288 Q327 S328 K329 | G288-A308 VanDerWaalsContact O-CA 3.27Å; G288-A308 WeakPolarHBondContact O-CA 3.33Å; A308-Q327 PolarHBondContact N-O 2.89Å; A308-S328 WeakPolarHBondContact O-CA 3.34Å; A308-K329 PolarHBondContact O-N 3.42Å |
| 309 | K | 76.3 | Confident | 76.6 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -43.8 | 167.4 | -69.1 | -175.9 | -178.1 | -176.3 | 0 | 111 | G288 K289 K329 K330 | G288-K309 PolarHBondContact O-N 2.99Å; G288-K309 VanDerWaalsContact O-N 3.11Å; K289-K309 HydrophobicContact CG-CD 4.45Å; K289-K309 WeakPolarHBondContact O-CB 3.3Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.48Å; K309-K330 PolarHBondContact O-N 2.85Å; K309-K330 VanDerWaalsContact O-N 3.09Å |
| 310 | K | 75.8 | Confident | 76.5 | Confident | 115 Ų | 115 | 55.7 Ų | 55.7 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127 | 168.2 | -66.5 | -174.4 | 176.4 | -176.1 | 0 | 108 | K289 K290 G291 K330 | K289-K310 PolarHBondContact O-N 2.82Å; K290-K310 VanDerWaalsContact CA-O 3.27Å; K290-K310 WeakPolarHBondContact CA-O 2.86Å; K290-K310 HydrophobicContact CG-CB 4.34Å; G291-K310 PolarHBondContact N-O 3.1Å; G291-K310 VanDerWaalsContact N-O 3.1Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 3.39Å; K310-K330 HydrophobicContact CG-CB 4.33Å |
| 311 | G | 66.4 | Low | 76.1 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 158.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G291 K330 G331 E332 | G291-G311 WeakPolarHBondContact O-CA 2.81Å; G311-K330 PolarHBondContact N-O 2.92Å; G311-K330 VanDerWaalsContact N-O 3.09Å; G311-G331 CarbonylContact O-C 3.51Å; G311-G331 WeakPolarHBondContact O-CA 3.33Å; G311-E332 PolarHBondContact O-N 3.47Å |
| 312 | E | 72.2 | Confident | 76.2 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.1 | -178.7 | -62.8 | 176.3 | -169 | 0 | 0 | 109.6 | G291 E292 G293 E332 | G291-E312 PolarHBondContact O-N 2.94Å; E292-E312 CarbonylContact C-O 3.47Å; E292-E312 VanDerWaalsContact CA-O 3.31Å; E292-E312 WeakPolarHBondContact CA-O 3.41Å; E292-E312 HydrophobicContact CG-CB 4.25Å; G293-E312 PolarHBondContact N-O 3.28Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 VanDerWaalsContact CA-O 3.31Å; E312-E332 WeakPolarHBondContact CA-O 3.36Å; E312-E332 HydrophobicContact CG-CB 4.27Å |
| 313 | G | 70.4 | Confident | 76.2 | Confident | 26 Ų | 26 | 52 Ų | 52 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | trans | 73 | 43.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q315 E332 G333 | G313-Q315 PolarHBondContact O-N 3.32Å; G313-E332 PolarHBondContact N-O 3.03Å; G313-G333 WeakPolarHBondContact CA-O 2.8Å | ||
| 314 | A | 82.1 | Confident | 76.7 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | trans | -78.2 | 118.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A294 N306 N326 G333 A334 Q335 | A294-A314 CarbonylContact O-C 3.54Å; A294-A314 WeakPolarHBondContact O-CA 2.94Å; N306-A314 HydrophobicContact CB-CB 4Å; A314-N326 HydrophobicContact CB-CB 4.32Å; A314-G333 PolarHBondContact N-O 3.01Å; A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.37Å; A314-Q335 PolarHBondContact O-N 3.3Å | ||
| 315 | Q | 85.2 | Confident | 76.9 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 129.3 | -175.6 | -59.2 | -178.8 | -38.3 | 0 | 0 | 112.6 | A294 Q295 N296 G313 Q335 | A294-Q315 PolarHBondContact O-N 3.04Å; Q295-Q315 CarbonylContact C-O 3.56Å; Q295-Q315 VanDerWaalsContact CA-O 3.28Å; Q295-Q315 WeakPolarHBondContact CA-O 3.31Å; Q295-Q315 HydrophobicContact CG-CB 4.27Å; N296-Q315 PolarHBondContact N-O 3.05Å; G313-Q315 PolarHBondContact O-N 3.32Å; Q315-Q335 CarbonylContact C-O 3.59Å; Q315-Q335 VanDerWaalsContact CA-O 3.32Å; Q315-Q335 WeakPolarHBondContact CA-O 3.28Å; Q315-Q335 HydrophobicContact CG-CB 4.27Å |
| 316 | N | 85.1 | Confident | 76.9 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125.1 | 169.3 | -58.3 | -52.6 | 0 | 0 | 0 | 109.7 | N296 A304 N306 A324 N326 Q335 N336 Q337 | N296-N316 WeakPolarHBondContact CB-OD1 3.25Å; N296-N316 PolarHBondContact ND2-OD1 3.09Å; N296-N316 CarbonylContact O-C 3.36Å; N296-N316 WeakPolarHBondContact O-CA 3.42Å; A304-N316 HydrophobicContact CB-CB 4.38Å; N306-N316 PolarHBondContact ND2-OD1 3.47Å; N316-A324 HydrophobicContact CB-CB 3.81Å; N316-N326 PolarHBondContact ND2-OD1 2.82Å; N316-Q335 PolarHBondContact N-O 2.92Å; N316-N336 WeakPolarHBondContact CB-OD1 3.41Å; N316-N336 PolarHBondContact ND2-OD1 3.02Å; N316-N336 CarbonylContact O-C 3.55Å; N316-N336 WeakPolarHBondContact O-CA 3.26Å; N316-Q337 PolarHBondContact O-N 3.41Å |
| 317 | Q | 81.5 | Confident | 76.8 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.2 | -179.6 | -59.2 | -173.6 | 15.4 | 0 | 0 | 112.1 | N296 Q297 A298 Q337 | N296-Q317 PolarHBondContact O-N 3.08Å; Q297-Q317 WeakPolarHBondContact CA-O 3.22Å; Q297-Q317 HydrophobicContact CG-CB 4.35Å; A298-Q317 PolarHBondContact N-O 3.02Å; Q317-Q337 CarbonylContact C-O 3.53Å; Q317-Q337 WeakPolarHBondContact CA-O 2.97Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å |
| 318 | G | 72.8 | Confident | 76.5 | Confident | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | A298 Q337 A338 K339 | A298-G318 VanDerWaalsContact O-CA 3.26Å; A298-G318 WeakPolarHBondContact O-CA 3.48Å; G318-Q337 PolarHBondContact N-O 2.58Å; G318-A338 WeakPolarHBondContact O-CA 3.33Å; G318-K339 PolarHBondContact O-N 2.84Å |
| 319 | K | 72.8 | Confident | 76.4 | Confident | 109 Ų | 109 | 56 Ų | 56 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -42.2 | 164.2 | -62.5 | -171.7 | -179.4 | -172.3 | 0 | 111.5 | A298 K299 K339 K340 | A298-K319 PolarHBondContact O-N 2.96Å; K299-K319 HydrophobicContact CG-CD 4.47Å; K299-K319 WeakPolarHBondContact O-CB 3.33Å; K319-K339 HydrophobicContact CG-CD 4.37Å; K319-K339 WeakPolarHBondContact O-CB 3.01Å; K319-K340 PolarHBondContact O-N 3.03Å; K319-K340 VanDerWaalsContact O-N 3.11Å |
| 320 | K | 71.5 | Confident | 76.3 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 122 | 170.7 | -73 | -174.5 | 179.5 | -178.9 | 0 | 108.3 | K299 K300 G301 K340 | K299-K320 PolarHBondContact O-N 2.89Å; K299-K320 VanDerWaalsContact O-N 3.08Å; K300-K320 CarbonylContact C-O 3.54Å; K300-K320 VanDerWaalsContact CA-O 3.23Å; K300-K320 WeakPolarHBondContact CA-O 3.39Å; K300-K320 HydrophobicContact CG-CB 4.23Å; G301-K320 PolarHBondContact N-O 2.81Å; G301-K320 VanDerWaalsContact N-O 3.07Å; K320-K340 VanDerWaalsContact CA-O 3.23Å; K320-K340 WeakPolarHBondContact CA-O 3.29Å; K320-K340 HydrophobicContact CG-CB 4.33Å |
| 321 | G | 64.4 | Low | 75.8 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 156.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | G301 K340 G341 | G301-G321 WeakPolarHBondContact O-CA 3.19Å; G321-K340 PolarHBondContact N-O 2.79Å; G321-K340 VanDerWaalsContact N-O 3.17Å; G321-G341 VanDerWaalsContact O-CA 3.31Å; G321-G341 WeakPolarHBondContact O-CA 3.37Å |
| 322 | E | 67.9 | Low | 76 | Confident | 91 Ų | 91 | 54.2 Ų | 54.2 | 43% | 0.425 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.8 | -175.7 | -63.9 | 172.3 | -170.5 | 0 | 0 | 110.2 | G301 E302 G303 E342 | G301-E322 PolarHBondContact O-N 2.93Å; E302-E322 WeakPolarHBondContact CA-O 2.99Å; E302-E322 HydrophobicContact CG-CB 4.27Å; G303-E322 PolarHBondContact N-O 3.46Å; E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.4Å; E322-E342 HydrophobicContact CG-CB 4.1Å |
| 323 | G | 69.2 | Low | 75.9 | Confident | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | trans | 75.2 | 42.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E342 G343 | G323-E342 PolarHBondContact N-O 3.27Å; G323-E342 VanDerWaalsContact N-O 3.13Å; G323-G343 WeakPolarHBondContact CA-O 3.29Å; G323-G343 PolarHBondContact N-O 2.93Å | ||
| 324 | A | 81.5 | Confident | 76.4 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A304 N316 N336 G343 G344 Q345 | A304-A324 CarbonylContact O-C 3.59Å; A304-A324 WeakPolarHBondContact O-CA 3.31Å; N316-A324 HydrophobicContact CB-CB 3.81Å; A324-N336 HydrophobicContact CB-CB 4.25Å; A324-G343 PolarHBondContact N-O 2.78Å; A324-G344 CarbonylContact O-C 3.6Å; A324-G344 WeakPolarHBondContact O-CA 3.35Å; A324-Q345 PolarHBondContact O-N 2.93Å |
| 325 | Q | 85.2 | Confident | 76.6 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.4 | -177.3 | -57 | -177.3 | -44.3 | 0 | 0 | 112.2 | A304 Q305 N306 Q345 | A304-Q325 PolarHBondContact O-N 2.83Å; Q305-Q325 CarbonylContact C-O 3.53Å; Q305-Q325 VanDerWaalsContact CA-O 3.31Å; Q305-Q325 WeakPolarHBondContact CA-O 3.39Å; Q305-Q325 HydrophobicContact CG-CB 4.27Å; N306-Q325 PolarHBondContact N-O 2.95Å; Q325-Q345 CarbonylContact C-O 3.45Å; Q325-Q345 VanDerWaalsContact CA-O 3.3Å; Q325-Q345 WeakPolarHBondContact CA-O 3.46Å; Q325-Q345 HydrophobicContact CG-CB 4.19Å |
| 326 | N | 85.5 | Confident | 76.5 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.7 | 168.6 | -58.1 | -52.5 | 0 | 0 | 0 | 109.5 | N306 A314 N316 A334 N336 Q345 N346 Q347 | N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.98Å; N306-N326 CarbonylContact O-C 3.57Å; N306-N326 WeakPolarHBondContact O-CA 3.41Å; A314-N326 HydrophobicContact CB-CB 4.32Å; N316-N326 PolarHBondContact ND2-OD1 2.82Å; N326-A334 HydrophobicContact CB-CB 3.95Å; N326-N336 PolarHBondContact ND2-OD1 3.29Å; N326-Q345 PolarHBondContact N-O 3.29Å; N326-N346 WeakPolarHBondContact CB-OD1 3.24Å; N326-N346 PolarHBondContact ND2-OD1 2.95Å; N326-N346 CarbonylContact O-C 3.56Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; N326-Q347 PolarHBondContact O-N 2.86Å |
| 327 | Q | 83.5 | Confident | 76.3 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 128.2 | 178 | -59.9 | -172.8 | 10.5 | 0 | 0 | 111 | N306 Q307 A308 Q347 | N306-Q327 PolarHBondContact O-N 2.83Å; Q307-Q327 WeakPolarHBondContact CA-O 3.37Å; Q307-Q327 HydrophobicContact CG-CB 4.36Å; A308-Q327 PolarHBondContact N-O 2.89Å; Q327-Q347 CarbonylContact C-O 3.6Å; Q327-Q347 WeakPolarHBondContact CA-O 3.33Å; Q327-Q347 HydrophobicContact CG-CB 4.34Å |
| 328 | S | 78.4 | Confident | 76 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.5 | 174.3 | 75.7 | 0 | 0 | 0 | 0 | 113.8 | A308 Q347 A348 K349 | A308-S328 WeakPolarHBondContact O-CA 3.34Å; S328-Q347 PolarHBondContact N-O 2.91Å; S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.38Å; S328-K349 PolarHBondContact O-N 2.94Å |
| 329 | K | 75.9 | Confident | 75.8 | Confident | 112 Ų | 112 | 56 Ų | 56 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -44.9 | 167.4 | -65.4 | -174.5 | -179.5 | -174.8 | 0 | 110.6 | A308 K309 K349 K350 | A308-K329 PolarHBondContact O-N 3.42Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.48Å; K329-K349 HydrophobicContact CG-CD 4.45Å; K329-K349 WeakPolarHBondContact O-CB 2.9Å; K329-K350 PolarHBondContact O-N 3.2Å; K329-K350 VanDerWaalsContact O-N 3.07Å |
| 330 | K | 75 | Confident | 75.7 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 45% | 0.452 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.6 | 169.1 | -167 | -171.9 | 177.9 | -158.6 | 0 | 108.3 | K309 K310 G311 K350 | K309-K330 PolarHBondContact O-N 2.85Å; K309-K330 VanDerWaalsContact O-N 3.09Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 3.39Å; K310-K330 HydrophobicContact CG-CB 4.33Å; G311-K330 PolarHBondContact N-O 2.92Å; G311-K330 VanDerWaalsContact N-O 3.09Å; K330-K350 VanDerWaalsContact CA-O 3.23Å; K330-K350 WeakPolarHBondContact CA-O 3.31Å |
| 331 | G | 65.7 | Low | 75.3 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 162.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G311 K350 G351 E352 | G311-G331 CarbonylContact O-C 3.51Å; G311-G331 WeakPolarHBondContact O-CA 3.33Å; G331-K350 PolarHBondContact N-O 3.04Å; G331-K350 VanDerWaalsContact N-O 3.11Å; G331-G351 WeakPolarHBondContact O-CA 2.89Å; G331-E352 PolarHBondContact O-N 3.16Å |
| 332 | E | 70.3 | Confident | 75.2 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.8 | -177.9 | -64.8 | 171.8 | -161.8 | 0 | 0 | 109.6 | G311 E312 G313 E352 | G311-E332 PolarHBondContact O-N 3.47Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 VanDerWaalsContact CA-O 3.31Å; E312-E332 WeakPolarHBondContact CA-O 3.36Å; E312-E332 HydrophobicContact CG-CB 4.27Å; G313-E332 PolarHBondContact N-O 3.03Å; E332-E352 WeakPolarHBondContact CA-O 3.4Å; E332-E352 HydrophobicContact CG-CB 4.32Å |
| 333 | G | 70.3 | Confident | 75.1 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.5 | 54.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G313 A314 E352 G353 | G313-G333 WeakPolarHBondContact CA-O 2.8Å; A314-G333 PolarHBondContact N-O 3.01Å; G333-E352 PolarHBondContact N-O 3.08Å; G333-G353 CarbonylContact C-O 3.54Å; G333-G353 VanDerWaalsContact CA-O 3.29Å; G333-G353 WeakPolarHBondContact CA-O 2.87Å |
| 334 | A | 81.5 | Confident | 75.3 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A314 N326 N346 G353 A354 Q355 | A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.37Å; N326-A334 HydrophobicContact CB-CB 3.95Å; A334-N346 HydrophobicContact CB-CB 4.2Å; A334-G353 PolarHBondContact N-O 2.99Å; A334-G353 VanDerWaalsContact N-O 3.14Å; A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.32Å; A334-Q355 PolarHBondContact O-N 3.25Å |
| 335 | Q | 84.8 | Confident | 75.3 | Confident | 44 Ų | 44 | 53 Ų | 53 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.5 | -176 | -58.8 | -177.3 | -36.1 | 0 | 0 | 112.6 | A314 Q315 N316 Q355 | A314-Q335 PolarHBondContact O-N 3.3Å; Q315-Q335 CarbonylContact C-O 3.59Å; Q315-Q335 VanDerWaalsContact CA-O 3.32Å; Q315-Q335 WeakPolarHBondContact CA-O 3.28Å; Q315-Q335 HydrophobicContact CG-CB 4.27Å; N316-Q335 PolarHBondContact N-O 2.92Å; Q335-Q355 CarbonylContact C-O 3.59Å; Q335-Q355 VanDerWaalsContact CA-O 3.28Å; Q335-Q355 WeakPolarHBondContact CA-O 3.08Å; Q335-Q355 HydrophobicContact CG-CB 4.24Å |
| 336 | N | 83.8 | Confident | 75.1 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.9 | 168.2 | -56.4 | -52.8 | 0 | 0 | 0 | 109.8 | N316 A324 N326 N346 Q355 N356 Q357 | N316-N336 WeakPolarHBondContact CB-OD1 3.41Å; N316-N336 PolarHBondContact ND2-OD1 3.02Å; N316-N336 CarbonylContact O-C 3.55Å; N316-N336 WeakPolarHBondContact O-CA 3.26Å; A324-N336 HydrophobicContact CB-CB 4.25Å; N326-N336 PolarHBondContact ND2-OD1 3.29Å; N336-N346 PolarHBondContact ND2-OD1 2.8Å; N336-Q355 PolarHBondContact N-O 3.26Å; N336-N356 WeakPolarHBondContact CB-OD1 3.21Å; N336-N356 PolarHBondContact ND2-OD1 3.47Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.03Å; N336-Q357 PolarHBondContact O-N 3.13Å |
| 337 | Q | 80.6 | Confident | 74.8 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.2 | 178.7 | -58.7 | -173 | 18.8 | 0 | 0 | 111.3 | N316 Q317 G318 Q357 | N316-Q337 PolarHBondContact O-N 3.41Å; Q317-Q337 CarbonylContact C-O 3.53Å; Q317-Q337 WeakPolarHBondContact CA-O 2.97Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å; G318-Q337 PolarHBondContact N-O 2.58Å; Q337-Q357 WeakPolarHBondContact CA-O 2.92Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å |
| 338 | A | 74.4 | Confident | 74.4 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | G318 Q357 A358 K359 | G318-A338 WeakPolarHBondContact O-CA 3.33Å; A338-Q357 PolarHBondContact N-O 3.19Å; A338-A358 VanDerWaalsContact O-CA 3.3Å; A338-A358 WeakPolarHBondContact O-CA 2.82Å; A338-K359 PolarHBondContact O-N 3.36Å; A338-K359 VanDerWaalsContact O-N 3.11Å |
| 339 | K | 70.2 | Confident | 74.1 | Confident | 131 Ų | 131 | 56.2 Ų | 56.2 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -34.9 | 169.4 | -71.2 | -175.4 | 179.7 | -177.5 | 0 | 112.3 | G318 K319 K359 K360 | G318-K339 PolarHBondContact O-N 2.84Å; K319-K339 HydrophobicContact CG-CD 4.37Å; K319-K339 WeakPolarHBondContact O-CB 3.01Å; K339-K359 WeakPolarHBondContact O-CB 2.88Å; K339-K360 PolarHBondContact O-N 2.95Å |
| 340 | K | 69.5 | Low | 73.8 | Confident | 122 Ų | 122 | 56.6 Ų | 56.6 | 53% | 0.53 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 131.2 | 174.1 | -168.4 | -174.3 | -178.7 | -166.6 | 0 | 108.6 | K319 K320 G321 K360 | K319-K340 PolarHBondContact O-N 3.03Å; K319-K340 VanDerWaalsContact O-N 3.11Å; K320-K340 VanDerWaalsContact CA-O 3.23Å; K320-K340 WeakPolarHBondContact CA-O 3.29Å; K320-K340 HydrophobicContact CG-CB 4.33Å; G321-K340 PolarHBondContact N-O 2.79Å; G321-K340 VanDerWaalsContact N-O 3.17Å; K340-K360 WeakPolarHBondContact CA-O 3.26Å |
| 341 | G | 62.8 | Low | 73.3 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | trans | 147.4 | 172 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G321 K360 G361 | G321-G341 VanDerWaalsContact O-CA 3.31Å; G321-G341 WeakPolarHBondContact O-CA 3.37Å; G341-K360 PolarHBondContact N-O 3.38Å; G341-G361 WeakPolarHBondContact O-CA 3.35Å | ||
| 342 | E | 63.9 | Low | 73.3 | Confident | 107 Ų | 107 | 56.7 Ų | 56.7 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -93.8 | 139.8 | -175.6 | -63.2 | 179.7 | -177.4 | 0 | 0 | 112 | E322 G323 | E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.4Å; E322-E342 HydrophobicContact CG-CB 4.1Å; G323-E342 PolarHBondContact N-O 3.27Å; G323-E342 VanDerWaalsContact N-O 3.13Å |
| 343 | G | 65 | Low | 73.2 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 22% | 0.216 | 29% | 0.288 | C | S | . | . | trans | 67.9 | 101.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | G323 A324 E362 G363 | G323-G343 WeakPolarHBondContact CA-O 3.29Å; G323-G343 PolarHBondContact N-O 2.93Å; A324-G343 PolarHBondContact N-O 2.78Å; G343-E362 PolarHBondContact N-O 2.88Å; G343-G363 WeakPolarHBondContact CA-O 3.43Å | ||
| 344 | G | 73.5 | Confident | 73.5 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | A324 N356 A364 Q365 | A324-G344 CarbonylContact O-C 3.6Å; A324-G344 WeakPolarHBondContact O-CA 3.35Å; G344-N356 PolarHBondContact O-ND2 3.5Å; G344-A364 WeakPolarHBondContact O-CA 3.03Å; G344-Q365 PolarHBondContact O-N 2.96Å |
| 345 | Q | 80.9 | Confident | 73.4 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122 | 176.2 | -58.9 | -175.2 | -14.8 | 0 | 0 | 111.2 | A324 Q325 N326 Q365 | A324-Q345 PolarHBondContact O-N 2.93Å; Q325-Q345 CarbonylContact C-O 3.45Å; Q325-Q345 VanDerWaalsContact CA-O 3.3Å; Q325-Q345 WeakPolarHBondContact CA-O 3.46Å; Q325-Q345 HydrophobicContact CG-CB 4.19Å; N326-Q345 PolarHBondContact N-O 3.29Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.23Å; Q345-Q365 WeakPolarHBondContact CA-O 3.4Å; Q345-Q365 HydrophobicContact CG-CB 4.25Å; Q345-Q365 VanDerWaalsContact NE2-OE1 3.08Å |
| 346 | N | 82.3 | Confident | 73.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.3 | 170.9 | -56 | -53.3 | 0 | 0 | 0 | 110 | N326 A334 N336 A354 N356 Q365 N366 Q367 | N326-N346 WeakPolarHBondContact CB-OD1 3.24Å; N326-N346 PolarHBondContact ND2-OD1 2.95Å; N326-N346 CarbonylContact O-C 3.56Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; A334-N346 HydrophobicContact CB-CB 4.2Å; N336-N346 PolarHBondContact ND2-OD1 2.8Å; N346-A354 HydrophobicContact CB-CB 3.96Å; N346-N356 PolarHBondContact ND2-OD1 3.11Å; N346-Q365 PolarHBondContact N-O 3.09Å; N346-N366 WeakPolarHBondContact CB-OD1 2.96Å; N346-N366 PolarHBondContact ND2-OD1 3.34Å; N346-N366 CarbonylContact O-C 3.6Å; N346-N366 VanDerWaalsContact O-CA 3.31Å; N346-N366 WeakPolarHBondContact O-CA 3.41Å; N346-Q367 PolarHBondContact O-N 3.04Å |
| 347 | Q | 79.1 | Confident | 72.7 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.9 | 177.6 | -59.8 | -173.7 | 15.1 | 0 | 0 | 111 | N326 Q327 S328 Q367 | N326-Q347 PolarHBondContact O-N 2.86Å; Q327-Q347 CarbonylContact C-O 3.6Å; Q327-Q347 WeakPolarHBondContact CA-O 3.33Å; Q327-Q347 HydrophobicContact CG-CB 4.34Å; S328-Q347 PolarHBondContact N-O 2.91Å; Q347-Q367 WeakPolarHBondContact CA-O 3.48Å; Q347-Q367 HydrophobicContact CG-CB 4.31Å |
| 348 | A | 74.9 | Confident | 72.2 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S328 Q367 A368 K369 | S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.38Å; A348-Q367 PolarHBondContact N-O 2.9Å; A348-A368 VanDerWaalsContact O-CA 3.3Å; A348-A368 WeakPolarHBondContact O-CA 3.34Å; A348-K369 PolarHBondContact O-N 3.4Å |
| 349 | K | 71.1 | Confident | 71.9 | Confident | 115 Ų | 115 | 58.3 Ų | 58.3 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -39 | 167.6 | -65.8 | -174.1 | -177.6 | -173.9 | 0 | 111.5 | S328 K329 K369 K370 | S328-K349 PolarHBondContact O-N 2.94Å; K329-K349 HydrophobicContact CG-CD 4.45Å; K329-K349 WeakPolarHBondContact O-CB 2.9Å; K349-K369 HydrophobicContact CG-CD 4.48Å; K349-K369 WeakPolarHBondContact O-CB 3.3Å; K349-K370 PolarHBondContact O-N 2.81Å |
| 350 | K | 70.2 | Confident | 71.7 | Confident | 121 Ų | 121 | 57.6 Ų | 57.6 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 122 | 171 | -172.5 | 179.6 | 179.2 | -176.1 | 0 | 108.2 | K329 K330 G331 K370 | K329-K350 PolarHBondContact O-N 3.2Å; K329-K350 VanDerWaalsContact O-N 3.07Å; K330-K350 VanDerWaalsContact CA-O 3.23Å; K330-K350 WeakPolarHBondContact CA-O 3.31Å; G331-K350 PolarHBondContact N-O 3.04Å; G331-K350 VanDerWaalsContact N-O 3.11Å; K350-K370 VanDerWaalsContact CA-O 3.3Å; K350-K370 WeakPolarHBondContact CA-O 3.3Å |
| 351 | G | 63.9 | Low | 71.3 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 159.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G331 K370 G371 | G331-G351 WeakPolarHBondContact O-CA 2.89Å; G351-K370 PolarHBondContact N-O 2.79Å; G351-K370 VanDerWaalsContact N-O 3.09Å; G351-G371 WeakPolarHBondContact O-CA 2.99Å |
| 352 | E | 66.4 | Low | 71.3 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145 | -179.6 | -69.2 | 166.2 | -157.4 | 0 | 0 | 109.9 | G331 E332 G333 E372 | G331-E352 PolarHBondContact O-N 3.16Å; E332-E352 WeakPolarHBondContact CA-O 3.4Å; E332-E352 HydrophobicContact CG-CB 4.32Å; G333-E352 PolarHBondContact N-O 3.08Å; E352-E372 WeakPolarHBondContact CA-O 3Å; E352-E372 HydrophobicContact CG-CB 4.41Å |
| 353 | G | 67.4 | Low | 71.3 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.5 | 61 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G333 A334 E372 G373 | G333-G353 CarbonylContact C-O 3.54Å; G333-G353 VanDerWaalsContact CA-O 3.29Å; G333-G353 WeakPolarHBondContact CA-O 2.87Å; A334-G353 PolarHBondContact N-O 2.99Å; A334-G353 VanDerWaalsContact N-O 3.14Å; G353-E372 PolarHBondContact N-O 3.42Å; G353-G373 WeakPolarHBondContact CA-O 3.49Å |
| 354 | A | 76.6 | Confident | 71.7 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A334 N346 N366 G373 V374 Q375 | A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.32Å; N346-A354 HydrophobicContact CB-CB 3.96Å; A354-N366 HydrophobicContact CB-CB 4.43Å; A354-G373 PolarHBondContact N-O 3.48Å; A354-V374 WeakPolarHBondContact O-CA 3.33Å; A354-Q375 PolarHBondContact O-N 3.26Å |
| 355 | Q | 80 | Confident | 71.9 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.7 | -177.6 | -57.6 | -175.9 | -31.4 | 0 | 0 | 112.4 | A334 Q335 N336 Q375 | A334-Q355 PolarHBondContact O-N 3.25Å; Q335-Q355 CarbonylContact C-O 3.59Å; Q335-Q355 VanDerWaalsContact CA-O 3.28Å; Q335-Q355 WeakPolarHBondContact CA-O 3.08Å; Q335-Q355 HydrophobicContact CG-CB 4.24Å; N336-Q355 PolarHBondContact N-O 3.26Å; Q355-Q375 CarbonylContact C-O 3.5Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 2.9Å; Q355-Q375 HydrophobicContact CG-CB 4.23Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.15Å |
| 356 | N | 78.4 | Confident | 71.7 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.5 | 168.5 | -58.4 | -51.3 | 0 | 0 | 0 | 109.7 | N336 G344 N346 A364 N366 Q375 N376 Q377 | N336-N356 WeakPolarHBondContact CB-OD1 3.21Å; N336-N356 PolarHBondContact ND2-OD1 3.47Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.03Å; G344-N356 PolarHBondContact O-ND2 3.5Å; N346-N356 PolarHBondContact ND2-OD1 3.11Å; N356-A364 HydrophobicContact CB-CB 3.8Å; N356-N366 PolarHBondContact ND2-ND2 2.96Å; N356-N366 PolarHBondContact ND2-OD1 3Å; N356-Q375 PolarHBondContact N-O 3.16Å; N356-N376 WeakPolarHBondContact CB-OD1 3.27Å; N356-N376 PolarHBondContact ND2-OD1 3.36Å; N356-N376 VanDerWaalsContact ND2-OD1 3.11Å; N356-N376 WeakPolarHBondContact O-CA 3.3Å; N356-Q377 PolarHBondContact O-N 3.22Å |
| 357 | Q | 75.9 | Confident | 71.3 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.4 | 178 | -57.3 | -172.5 | 16.9 | 0 | 0 | 111.1 | N336 Q337 A338 Q377 | N336-Q357 PolarHBondContact O-N 3.13Å; Q337-Q357 WeakPolarHBondContact CA-O 2.92Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å; A338-Q357 PolarHBondContact N-O 3.19Å; Q357-Q377 WeakPolarHBondContact CA-O 3.41Å; Q357-Q377 HydrophobicContact CG-CB 4.3Å |
| 358 | A | 70.4 | Confident | 70.8 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 21% | 0.207 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A338 Q377 A378 K379 | A338-A358 VanDerWaalsContact O-CA 3.3Å; A338-A358 WeakPolarHBondContact O-CA 2.82Å; A358-Q377 PolarHBondContact N-O 3.01Å; A358-A378 WeakPolarHBondContact O-CA 3.33Å; A358-K379 PolarHBondContact O-N 2.84Å |
| 359 | K | 67 | Low | 70.3 | Confident | 127 Ų | 127 | 56.5 Ų | 56.5 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -79 | -33.3 | 171.6 | -174.3 | 177 | -175.4 | -177.8 | 0 | 111.9 | A338 K339 K379 K380 | A338-K359 PolarHBondContact O-N 3.36Å; A338-K359 VanDerWaalsContact O-N 3.11Å; K339-K359 WeakPolarHBondContact O-CB 2.88Å; K359-K379 HydrophobicContact CG-CB 4.29Å; K359-K379 HydrophobicContact CG-CD 4.15Å; K359-K380 PolarHBondContact O-N 2.97Å |
| 360 | K | 65.9 | Low | 70.1 | Confident | 115 Ų | 115 | 56.7 Ų | 56.7 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -150.7 | 126.9 | 169.3 | -77.4 | -172.6 | 174.1 | -168.6 | 0 | 107.8 | K339 K340 G341 K380 | K339-K360 PolarHBondContact O-N 2.95Å; K340-K360 WeakPolarHBondContact CA-O 3.26Å; G341-K360 PolarHBondContact N-O 3.38Å; K360-K380 HydrophobicContact CG-CB 4.2Å |
| 361 | G | 61.6 | Low | 69.6 | Low | 16 Ų | 16 | 51.9 Ų | 51.9 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | trans | 167.2 | 158.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G341 G381 | G341-G361 WeakPolarHBondContact O-CA 3.35Å; G361-G381 VanDerWaalsContact O-O 3.11Å | ||
| 362 | E | 62.9 | Low | 69.5 | Low | 102 Ų | 102 | 55.8 Ų | 55.8 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -111.2 | 157.6 | -179.6 | -71.8 | 166.8 | -157.3 | 0 | 0 | 111 | G343 | G343-E362 PolarHBondContact N-O 2.88Š|
| 363 | G | 64.5 | Low | 69.4 | Low | 26 Ų | 26 | 52.1 Ų | 52.1 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | trans | 79.2 | 33.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | G343 Q365 E383 | G343-G363 WeakPolarHBondContact CA-O 3.43Å; G363-Q365 PolarHBondContact O-N 2.92Å; G363-E383 PolarHBondContact N-O 3.15Å; G363-E383 VanDerWaalsContact N-O 3.16Å | ||
| 364 | A | 73.8 | Confident | 69.5 | Low | 15 Ų | 15 | 51.5 Ų | 51.5 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | trans | -70.4 | 119 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G344 N356 A385 Q386 | G344-A364 WeakPolarHBondContact O-CA 3.03Å; N356-A364 HydrophobicContact CB-CB 3.8Å; A364-A385 CarbonylContact O-C 3.59Å; A364-A385 VanDerWaalsContact O-CA 3.26Å; A364-A385 WeakPolarHBondContact O-CA 3.45Å; A364-Q386 PolarHBondContact O-N 3.42Å | ||
| 365 | Q | 75.8 | Confident | 69.4 | Low | 51 Ų | 51 | 52.7 Ų | 52.7 | 24% | 0.238 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.4 | -179.4 | -60.4 | -177.2 | -34.1 | 0 | 0 | 111.7 | G344 Q345 N346 G363 Q386 | G344-Q365 PolarHBondContact O-N 2.96Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.23Å; Q345-Q365 WeakPolarHBondContact CA-O 3.4Å; Q345-Q365 HydrophobicContact CG-CB 4.25Å; Q345-Q365 VanDerWaalsContact NE2-OE1 3.08Å; N346-Q365 PolarHBondContact N-O 3.09Å; G363-Q365 PolarHBondContact O-N 2.92Å; Q365-Q386 CarbonylContact C-O 3.59Å; Q365-Q386 VanDerWaalsContact CA-O 3.27Å; Q365-Q386 WeakPolarHBondContact CA-O 3.27Å; Q365-Q386 HydrophobicContact CG-CB 4.24Å |
| 366 | N | 77 | Confident | 69.1 | Low | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129 | 172.1 | -58.3 | -58.7 | 0 | 0 | 0 | 110 | N346 A354 N356 V374 N376 Q386 N387 Q388 | N346-N366 WeakPolarHBondContact CB-OD1 2.96Å; N346-N366 PolarHBondContact ND2-OD1 3.34Å; N346-N366 CarbonylContact O-C 3.6Å; N346-N366 VanDerWaalsContact O-CA 3.31Å; N346-N366 WeakPolarHBondContact O-CA 3.41Å; A354-N366 HydrophobicContact CB-CB 4.43Å; N356-N366 PolarHBondContact ND2-ND2 2.96Å; N356-N366 PolarHBondContact ND2-OD1 3Å; N366-V374 HydrophobicContact CB-CG1 3.34Å; N366-V374 VanDerWaalsContact CG-CG1 3.5Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.31Å; N366-N376 PolarHBondContact ND2-OD1 3.01Å; N366-Q386 PolarHBondContact N-O 3.17Å; N366-N387 WeakPolarHBondContact CB-OD1 3.33Å; N366-N387 PolarHBondContact ND2-OD1 3.4Å; N366-N387 CarbonylContact O-C 3.56Å; N366-N387 VanDerWaalsContact O-CA 3.3Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; N366-Q388 PolarHBondContact O-N 3.42Å |
| 367 | Q | 73.6 | Confident | 68.8 | Low | 72 Ų | 72 | 53.9 Ų | 53.9 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.9 | 177.9 | -58.2 | -173.8 | 16.9 | 0 | 0 | 110.3 | N346 Q347 A348 Q388 | N346-Q367 PolarHBondContact O-N 3.04Å; Q347-Q367 WeakPolarHBondContact CA-O 3.48Å; Q347-Q367 HydrophobicContact CG-CB 4.31Å; A348-Q367 PolarHBondContact N-O 2.9Å; Q367-Q388 WeakPolarHBondContact CA-O 3.03Å; Q367-Q388 HydrophobicContact CG-CB 4.29Å |
| 368 | A | 69 | Low | 68.3 | Low | 19 Ų | 19 | 51.4 Ų | 51.4 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A348 Q388 G389 K390 | A348-A368 VanDerWaalsContact O-CA 3.3Å; A348-A368 WeakPolarHBondContact O-CA 3.34Å; A368-Q388 PolarHBondContact N-O 3.14Å; A368-G389 VanDerWaalsContact O-CA 3.28Å; A368-G389 WeakPolarHBondContact O-CA 3.09Å; A368-K390 PolarHBondContact O-N 3.45Å |
| 369 | K | 65.9 | Low | 67.9 | Low | 102 Ų | 102 | 56 Ų | 56 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -75.1 | -34.9 | 171.7 | -69.2 | -178.3 | -178.3 | -179.1 | 0 | 111.8 | A348 K349 K390 K391 | A348-K369 PolarHBondContact O-N 3.4Å; K349-K369 HydrophobicContact CG-CD 4.48Å; K349-K369 WeakPolarHBondContact O-CB 3.3Å; K369-K390 HydrophobicContact CG-CD 4.42Å; K369-K390 WeakPolarHBondContact O-CB 2.89Å; K369-K391 PolarHBondContact O-N 3.49Å |
| 370 | K | 65.5 | Low | 67.6 | Low | 119 Ų | 119 | 56 Ų | 56 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -147.3 | 128.8 | 172.7 | -69.3 | -174 | -179.5 | -179.1 | 0 | 108.4 | K349 K350 G351 K391 | K349-K370 PolarHBondContact O-N 2.81Å; K350-K370 VanDerWaalsContact CA-O 3.3Å; K350-K370 WeakPolarHBondContact CA-O 3.3Å; G351-K370 PolarHBondContact N-O 2.79Å; G351-K370 VanDerWaalsContact N-O 3.09Å; K370-K391 WeakPolarHBondContact CA-O 3.24Å |
| 371 | G | 60.7 | Low | 66.9 | Low | 20 Ų | 20 | 52.6 Ų | 52.6 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | trans | 168.7 | 161.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G351 K391 G392 | G351-G371 WeakPolarHBondContact O-CA 2.99Å; G371-K391 PolarHBondContact N-O 3.35Å; G371-G392 WeakPolarHBondContact O-CA 3.35Å | ||
| 372 | E | 62.1 | Low | 66.4 | Low | 96 Ų | 96 | 52.5 Ų | 52.5 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -118.3 | 152.4 | 177.4 | -65.6 | 173.3 | -166 | 0 | 0 | 110.4 | E352 G353 E393 | E352-E372 WeakPolarHBondContact CA-O 3Å; E352-E372 HydrophobicContact CG-CB 4.41Å; G353-E372 PolarHBondContact N-O 3.42Å; E372-E393 HydrophobicContact CG-CB 4.22Å |
| 373 | G | 63.4 | Low | 65.9 | Low | 24 Ų | 24 | 52.8 Ų | 52.8 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | trans | 77.5 | 54 | 163 | 0 | 0 | 0 | 0 | 0 | 115.5 | G353 A354 E393 | G353-G373 WeakPolarHBondContact CA-O 3.49Å; A354-G373 PolarHBondContact N-O 3.48Å; G373-E393 PolarHBondContact N-O 3.46Å | ||
| 374 | V | 69.7 | Low | 65.5 | Low | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.1 | 171 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | A354 N366 N387 N395 Q396 | A354-V374 WeakPolarHBondContact O-CA 3.33Å; N366-V374 HydrophobicContact CB-CG1 3.34Å; N366-V374 VanDerWaalsContact CG-CG1 3.5Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.31Å; V374-N387 HydrophobicContact CG1-CB 4.11Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.43Å; V374-N395 WeakPolarHBondContact CB-OD1 3.48Å; V374-N395 CarbonylContact O-C 3.57Å; V374-N395 WeakPolarHBondContact O-CA 3.3Å; V374-Q396 PolarHBondContact O-N 3.47Å |
| 375 | Q | 73.5 | Confident | 65.2 | Low | 44 Ų | 44 | 52.8 Ų | 52.8 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.5 | -177.4 | -55.6 | -175 | -10.4 | 0 | 0 | 112.5 | A354 Q355 N356 Q396 | A354-Q375 PolarHBondContact O-N 3.26Å; Q355-Q375 CarbonylContact C-O 3.5Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 2.9Å; Q355-Q375 HydrophobicContact CG-CB 4.23Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.15Å; N356-Q375 PolarHBondContact N-O 3.16Å; Q375-Q396 CarbonylContact C-O 3.57Å; Q375-Q396 VanDerWaalsContact CA-O 3.31Å; Q375-Q396 WeakPolarHBondContact CA-O 3.25Å; Q375-Q396 HydrophobicContact CG-CB 4.27Å |
| 376 | N | 74.5 | Confident | 64.8 | Low | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.6 | 167 | -58.5 | -50.8 | 0 | 0 | 0 | 109.4 | N356 N366 A385 N387 Q396 N397 Q398 | N356-N376 WeakPolarHBondContact CB-OD1 3.27Å; N356-N376 PolarHBondContact ND2-OD1 3.36Å; N356-N376 VanDerWaalsContact ND2-OD1 3.11Å; N356-N376 WeakPolarHBondContact O-CA 3.3Å; N366-N376 PolarHBondContact ND2-OD1 3.01Å; N376-A385 HydrophobicContact CB-CB 4.29Å; N376-N387 PolarHBondContact ND2-ND2 3.39Å; N376-N387 PolarHBondContact ND2-OD1 2.97Å; N376-Q396 PolarHBondContact N-O 3.05Å; N376-N397 WeakPolarHBondContact CB-OD1 3.37Å; N376-N397 PolarHBondContact ND2-OD1 2.84Å; N376-N397 WeakPolarHBondContact O-CA 3.38Å; N376-Q398 PolarHBondContact O-N 3.05Å |
| 377 | Q | 71.6 | Confident | 64.6 | Low | 66 Ų | 66 | 52.7 Ų | 52.7 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.3 | 178.1 | -60.7 | -174.4 | 18 | 0 | 0 | 111.3 | N356 Q357 A358 Q398 | N356-Q377 PolarHBondContact O-N 3.22Å; Q357-Q377 WeakPolarHBondContact CA-O 3.41Å; Q357-Q377 HydrophobicContact CG-CB 4.3Å; A358-Q377 PolarHBondContact N-O 3.01Å; Q377-Q398 WeakPolarHBondContact CA-O 3.28Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å |
| 378 | A | 66.1 | Low | 64.3 | Low | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 143.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116 | A358 V382 Q398 A399 K400 | A358-A378 WeakPolarHBondContact O-CA 3.33Å; A378-V382 HydrophobicContact CB-CB 4.38Å; A378-V382 HydrophobicContact CB-CG2 3.02Å; A378-Q398 PolarHBondContact N-O 2.99Å; A378-A399 WeakPolarHBondContact O-CA 3.36Å; A378-K400 PolarHBondContact O-N 2.88Å |
| 379 | K | 62.9 | Low | 63.9 | Low | 120 Ų | 120 | 52.5 Ų | 52.5 | 52% | 0.522 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -89.9 | -28.9 | -177 | -71.5 | -178.4 | 179.2 | 175.7 | 0 | 114.2 | A358 K359 K400 | A358-K379 PolarHBondContact O-N 2.84Å; K359-K379 HydrophobicContact CG-CB 4.29Å; K359-K379 HydrophobicContact CG-CD 4.15Å; K379-K400 WeakPolarHBondContact O-CB 3.36Å |
| 380 | K | 59.2 | Low | 63.7 | Low | 128 Ų | 128 | 52.6 Ų | 52.6 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -156.2 | 129.7 | 178.3 | -72.7 | -171.1 | 178.7 | -175.6 | 0 | 110.5 | K359 K360 | K359-K380 PolarHBondContact O-N 2.97Å; K360-K380 HydrophobicContact CG-CB 4.2Å |
| 381 | G | 52.4 | Low | 63.4 | Low | 43 Ų | 43 | 52.6 Ų | 52.6 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | trans | 66 | 81.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G361 K401 | G361-G381 VanDerWaalsContact O-O 3.11Å; G381-K401 PolarHBondContact N-O 3.15Å | ||
| 382 | V | 49.6 | Very low | 63 | Low | 14 Ų | 14 | 52.7 Ų | 52.7 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | trans | -120.5 | 121.4 | 170.8 | -177 | 0 | 0 | 0 | 0 | 107.7 | A378 A385 E403 | A378-V382 HydrophobicContact CB-CB 4.38Å; A378-V382 HydrophobicContact CB-CG2 3.02Å; V382-A385 HydrophobicContact CG1-CB 4.14Å; V382-E403 PolarHBondContact O-N 3.44Å; V382-E403 VanDerWaalsContact O-N 3.1Å | ||
| 383 | E | 53.3 | Low | 62.7 | Low | 108 Ų | 108 | 53 Ų | 53 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | trans | -103.1 | 144.5 | 155.3 | -71.4 | 169.3 | -160.7 | 0 | 0 | 107 | G363 | G363-E383 PolarHBondContact N-O 3.15Å; G363-E383 VanDerWaalsContact N-O 3.16Å | ||
| 384 | G | 56.2 | Low | 62.4 | Low | 35 Ų | 35 | 53.6 Ų | 53.6 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | trans | 78.2 | 25.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | Q386 | G384-Q386 PolarHBondContact O-N 2.82Å; G384-Q386 VanDerWaalsContact O-N 3.15Å | ||
| 385 | A | 67.5 | Low | 62.1 | Low | 7 Ų | 7 | 53.8 Ų | 53.8 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | trans | -64.9 | 114.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A364 N376 V382 G405 Q406 | A364-A385 CarbonylContact O-C 3.59Å; A364-A385 VanDerWaalsContact O-CA 3.26Å; A364-A385 WeakPolarHBondContact O-CA 3.45Å; N376-A385 HydrophobicContact CB-CB 4.29Å; V382-A385 HydrophobicContact CG1-CB 4.14Å; A385-G405 CarbonylContact O-C 3.59Å; A385-G405 VanDerWaalsContact O-C 3.22Å; A385-G405 WeakPolarHBondContact O-CA 3.37Å; A385-Q406 PolarHBondContact O-N 3.12Å | ||
| 386 | Q | 67.9 | Low | 61.8 | Low | 50 Ų | 50 | 54 Ų | 54 | 23% | 0.234 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120 | -176.3 | -63.6 | -178.6 | -43.3 | 0 | 0 | 111.2 | A364 Q365 N366 G384 Q406 | A364-Q386 PolarHBondContact O-N 3.42Å; Q365-Q386 CarbonylContact C-O 3.59Å; Q365-Q386 VanDerWaalsContact CA-O 3.27Å; Q365-Q386 WeakPolarHBondContact CA-O 3.27Å; Q365-Q386 HydrophobicContact CG-CB 4.24Å; N366-Q386 PolarHBondContact N-O 3.17Å; G384-Q386 PolarHBondContact O-N 2.82Å; G384-Q386 VanDerWaalsContact O-N 3.15Å; Q386-Q406 VanDerWaalsContact CA-O 3.27Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å |
| 387 | N | 71.6 | Confident | 61.5 | Low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.9 | 170.4 | -49.8 | -56.2 | 0 | 0 | 0 | 110.2 | N366 V374 N376 N395 N397 Q406 N407 Q408 | N366-N387 WeakPolarHBondContact CB-OD1 3.33Å; N366-N387 PolarHBondContact ND2-OD1 3.4Å; N366-N387 CarbonylContact O-C 3.56Å; N366-N387 VanDerWaalsContact O-CA 3.3Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; V374-N387 HydrophobicContact CG1-CB 4.11Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.43Å; N376-N387 PolarHBondContact ND2-ND2 3.39Å; N376-N387 PolarHBondContact ND2-OD1 2.97Å; N387-N395 HydrophobicContact CB-CB 4.42Å; N387-N397 PolarHBondContact ND2-OD1 2.88Å; N387-Q406 PolarHBondContact N-O 3.05Å; N387-N407 VanDerWaalsContact CB-OD1 3.22Å; N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact ND2-OD1 3.26Å; N387-N407 CarbonylContact O-C 3.57Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N387-Q408 PolarHBondContact O-N 3.06Å |
| 388 | Q | 67.1 | Low | 61.1 | Low | 72 Ų | 72 | 54 Ų | 54 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.2 | 178.3 | -61.4 | -174.4 | 12.6 | 0 | 0 | 111.4 | N366 Q367 A368 Q408 | N366-Q388 PolarHBondContact O-N 3.42Å; Q367-Q388 WeakPolarHBondContact CA-O 3.03Å; Q367-Q388 HydrophobicContact CG-CB 4.29Å; A368-Q388 PolarHBondContact N-O 3.14Å; Q388-Q408 WeakPolarHBondContact CA-O 3.39Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å |
| 389 | G | 62 | Low | 60.8 | Low | 16 Ų | 16 | 54.4 Ų | 54.4 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A368 Q408 T409 K410 | A368-G389 VanDerWaalsContact O-CA 3.28Å; A368-G389 WeakPolarHBondContact O-CA 3.09Å; G389-Q408 PolarHBondContact N-O 3.17Å; G389-T409 WeakPolarHBondContact O-CA 3.31Å; G389-K410 PolarHBondContact O-N 3Å |
| 390 | K | 60.2 | Low | 60.5 | Low | 103 Ų | 103 | 54.4 Ų | 54.4 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -89.5 | -34.6 | 163.8 | -63.3 | -172.3 | -179.8 | -173 | 0 | 112.6 | A368 K369 K410 | A368-K390 PolarHBondContact O-N 3.45Å; K369-K390 HydrophobicContact CG-CD 4.42Å; K369-K390 WeakPolarHBondContact O-CB 2.89Å; K390-K410 HydrophobicContact CG-CD 4.27Å; K390-K410 WeakPolarHBondContact O-CB 3.39Å |
| 391 | K | 59.2 | Low | 60.3 | Low | 120 Ų | 120 | 54.8 Ų | 54.8 | 52% | 0.522 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -152.7 | 125.9 | 175.1 | -68.8 | -171.9 | 178.2 | -172.9 | 0 | 107.9 | K369 K370 G371 | K369-K391 PolarHBondContact O-N 3.49Å; K370-K391 WeakPolarHBondContact CA-O 3.24Å; G371-K391 PolarHBondContact N-O 3.35Å |
| 392 | G | 54.1 | Low | 60.2 | Low | 22 Ų | 22 | 53.9 Ų | 53.9 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | trans | 174.5 | 156 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | G371 | G371-G392 WeakPolarHBondContact O-CA 3.35Š| ||
| 393 | E | 55.7 | Low | 60.3 | Low | 101 Ų | 101 | 57.3 Ų | 57.3 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -101.6 | 148.5 | 176.7 | -63 | 175.5 | -175.5 | 0 | 0 | 110.1 | E372 G373 | E372-E393 HydrophobicContact CG-CB 4.22Å; G373-E393 PolarHBondContact N-O 3.46Å |
| 394 | A | 56.4 | Low | 60.3 | Low | 37 Ų | 37 | 53.2 Ų | 53.2 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | trans | 52.1 | 83.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 395 | N | 64 | Low | 60.3 | Low | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122 | 159.1 | -71.3 | -16.3 | 0 | 0 | 0 | 108.7 | V374 N387 P415 Q416 | V374-N395 WeakPolarHBondContact CB-OD1 3.48Å; V374-N395 CarbonylContact O-C 3.57Å; V374-N395 WeakPolarHBondContact O-CA 3.3Å; N387-N395 HydrophobicContact CB-CB 4.42Å; N395-P415 HydrophobicContact CB-CB 3.93Å; N395-P415 CarbonylContact O-C 3.56Å; N395-P415 WeakPolarHBondContact O-CA 3.49Å; N395-P415 WeakPolarHBondContact O-CB 3.41Å; N395-Q416 PolarHBondContact O-N 3.49Å |
| 396 | Q | 66.3 | Low | 59.9 | Low | 49 Ų | 49 | 55 Ų | 55 | 23% | 0.229 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.5 | 177.5 | -60 | -173 | 22 | 0 | 0 | 111.4 | V374 Q375 N376 Q416 | V374-Q396 PolarHBondContact O-N 3.47Å; Q375-Q396 CarbonylContact C-O 3.57Å; Q375-Q396 VanDerWaalsContact CA-O 3.31Å; Q375-Q396 WeakPolarHBondContact CA-O 3.25Å; Q375-Q396 HydrophobicContact CG-CB 4.27Å; N376-Q396 PolarHBondContact N-O 3.05Å; Q396-Q416 WeakPolarHBondContact CA-O 3.27Å; Q396-Q416 HydrophobicContact CG-CB 4.37Å |
| 397 | N | 67.9 | Low | 59.7 | Low | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.6 | 169.5 | -62.6 | -39.8 | 0 | 0 | 0 | 109 | N376 N387 N407 Q416 N417 Q418 | N376-N397 WeakPolarHBondContact CB-OD1 3.37Å; N376-N397 PolarHBondContact ND2-OD1 2.84Å; N376-N397 WeakPolarHBondContact O-CA 3.38Å; N387-N397 PolarHBondContact ND2-OD1 2.88Å; N397-N407 PolarHBondContact ND2-ND2 3.07Å; N397-N407 VanDerWaalsContact ND2-ND2 3.12Å; N397-N407 PolarHBondContact ND2-OD1 3.12Å; N397-Q416 PolarHBondContact N-O 2.89Å; N397-Q416 VanDerWaalsContact N-O 3.12Å; N397-N417 WeakPolarHBondContact CB-OD1 3.47Å; N397-N417 VanDerWaalsContact O-CA 3.31Å; N397-N417 WeakPolarHBondContact O-CA 3.3Å; N397-Q418 PolarHBondContact O-N 3.36Å |
| 398 | Q | 63.6 | Low | 59 | Low | 65 Ų | 65 | 56.1 Ų | 56.1 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.1 | 176.8 | -61 | -172.4 | 16.4 | 0 | 0 | 110.5 | N376 Q377 A378 Q418 | N376-Q398 PolarHBondContact O-N 3.05Å; Q377-Q398 WeakPolarHBondContact CA-O 3.28Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å; A378-Q398 PolarHBondContact N-O 2.99Å; Q398-Q418 WeakPolarHBondContact CA-O 3.37Å; Q398-Q418 HydrophobicContact CG-CB 4.31Å |
| 399 | A | 60.4 | Low | 58.5 | Low | 23 Ų | 23 | 53.3 Ų | 53.3 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A378 K401 Q418 G419 | A378-A399 WeakPolarHBondContact O-CA 3.36Å; A399-K401 VanDerWaalsContact C-N 3.3Å; A399-K401 PolarHBondContact O-N 2.86Å; A399-Q418 PolarHBondContact N-O 3.44Å; A399-G419 WeakPolarHBondContact O-CA 3.14Å |
| 400 | K | 56.9 | Low | 58.2 | Low | 119 Ų | 119 | 58.2 Ų | 58.2 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -69.7 | -27.7 | 174.1 | -73.2 | -176.9 | -179.9 | -174.7 | 0 | 112.8 | A378 K379 K420 | A378-K400 PolarHBondContact O-N 2.88Å; K379-K400 WeakPolarHBondContact O-CB 3.36Å; K400-K420 WeakPolarHBondContact O-CB 3.35Å |
| 401 | K | 53.9 | Low | 57.9 | Low | 136 Ų | 136 | 59.5 Ų | 59.5 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -159.2 | 127.8 | 173.9 | -71.2 | -171.9 | 177.4 | -173.6 | 0 | 108.4 | G381 A399 | G381-K401 PolarHBondContact N-O 3.15Å; A399-K401 VanDerWaalsContact C-N 3.3Å; A399-K401 PolarHBondContact O-N 2.86Å |
| 402 | G | 50.2 | Low | 57.7 | Low | 24 Ų | 24 | 55 Ų | 55 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 156.1 | 171.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K421 G422 | G402-K421 PolarHBondContact N-O 2.85Å; G402-G422 WeakPolarHBondContact O-CA 3.38Å |
| 403 | E | 52.9 | Low | 57.8 | Low | 87 Ų | 87 | 59.4 Ų | 59.4 | 41% | 0.407 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 142.4 | 171.9 | -66.6 | -174.5 | 179.2 | 0 | 0 | 110.4 | V382 E423 | V382-E403 PolarHBondContact O-N 3.44Å; V382-E403 VanDerWaalsContact O-N 3.1Å; E403-E423 HydrophobicContact CB-CB 4.32Å; E403-E423 HydrophobicContact CG-CB 4.12Å; E403-E423 HydrophobicContact CG-CG 4.28Å; E403-E423 WeakPolarHBondContact CG-OE2 3.25Å |
| 404 | G | 52.5 | Low | 57.7 | Low | 22 Ų | 22 | 55.1 Ų | 55.1 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 135.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E423 | G404-E423 VanDerWaalsContact CA-O 3.25Å; G404-E423 WeakPolarHBondContact CA-O 2.92Å; G404-E423 PolarHBondContact N-O 2.83Å |
| 405 | G | 56.9 | Low | 57.9 | Low | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 145.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A385 A425 | A385-G405 CarbonylContact O-C 3.59Å; A385-G405 VanDerWaalsContact O-C 3.22Å; A385-G405 WeakPolarHBondContact O-CA 3.37Å; G405-A425 WeakPolarHBondContact O-CB 3.49Å |
| 406 | Q | 59.1 | Low | 57.6 | Low | 75 Ų | 75 | 55.3 Ų | 55.3 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130.4 | 174 | -61.3 | 174.7 | -4.9 | 0 | 0 | 109.9 | A385 Q386 N387 | A385-Q406 PolarHBondContact O-N 3.12Å; Q386-Q406 VanDerWaalsContact CA-O 3.27Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å; N387-Q406 PolarHBondContact N-O 3.05Å |
| 407 | N | 62.2 | Low | 57.4 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 118 | 179.4 | -71.4 | -36.2 | 0 | 0 | 0 | 108.3 | N387 N397 P415 | N387-N407 VanDerWaalsContact CB-OD1 3.22Å; N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact ND2-OD1 3.26Å; N387-N407 CarbonylContact O-C 3.57Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N397-N407 PolarHBondContact ND2-ND2 3.07Å; N397-N407 VanDerWaalsContact ND2-ND2 3.12Å; N397-N407 PolarHBondContact ND2-OD1 3.12Å; N407-P415 HydrophobicContact CB-CB 4.36Å; N407-P415 HydrophobicContact CB-CG 3.86Å; N407-P415 WeakPolarHBondContact ND2-CB 3.32Å; N407-P415 VanDerWaalsContact ND2-CG 3.27Å; N407-P415 WeakPolarHBondContact ND2-CG 3.45Å |
| 408 | Q | 58.8 | Low | 56.9 | Low | 74 Ų | 74 | 56.5 Ų | 56.5 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.3 | 177.2 | -64.5 | -178.7 | 11.2 | 0 | 0 | 109.8 | N387 Q388 G389 | N387-Q408 PolarHBondContact O-N 3.06Å; Q388-Q408 WeakPolarHBondContact CA-O 3.39Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å; G389-Q408 PolarHBondContact N-O 3.17Å |
| 409 | T | 55.4 | Low | 56.5 | Low | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 114.8 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | G389 K411 D429 | G389-T409 WeakPolarHBondContact O-CA 3.31Å; T409-K411 WeakPolarHBondContact CG2-O 3.38Å; T409-K411 PolarHBondContact O-N 2.93Å; T409-K411 VanDerWaalsContact O-N 3.13Å; T409-D429 VanDerWaalsContact C-CG 3.5Å; T409-D429 WeakPolarHBondContact CA-OD1 3.41Å; T409-D429 PolarHBondContact N-OD1 3.23Å; T409-D429 PolarHBondContact N-OD2 2.75Å; T409-D429 WeakPolarHBondContact O-CB 3.44Å |
| 410 | K | 56.4 | Low | 56.1 | Low | 120 Ų | 120 | 59 Ų | 59 | 52% | 0.522 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -61.9 | -28.3 | -179.5 | -66.3 | -171.6 | -179.5 | -169.5 | 0 | 114.5 | G389 K390 | G389-K410 PolarHBondContact O-N 3Å; K390-K410 HydrophobicContact CG-CD 4.27Å; K390-K410 WeakPolarHBondContact O-CB 3.39Å |
| 411 | K | 54.5 | Low | 55.9 | Low | 130 Ų | 130 | 59.2 Ų | 59.2 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -164 | 124.2 | 176.3 | -170.2 | -176.9 | -178.4 | -170.3 | 0 | 110.2 | T409 | T409-K411 WeakPolarHBondContact CG2-O 3.38Å; T409-K411 PolarHBondContact O-N 2.93Å; T409-K411 VanDerWaalsContact O-N 3.13Å |
| 412 | G | 53.5 | Low | 55.4 | Low | 24 Ų | 24 | 54 Ų | 54 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 413 | E | 55.6 | Low | 55.4 | Low | 116 Ų | 116 | 57.7 Ų | 57.7 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 147.9 | 170.1 | -65.2 | -171.3 | 156.3 | 0 | 0 | 111.2 | ||
| 414 | G | 55.4 | Low | 55.1 | Low | 11 Ų | 11 | 55.9 Ų | 55.9 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 151.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E433 G434 | G414-E433 PolarHBondContact N-O 2.99Å; G414-G434 VanDerWaalsContact CA-O 3.3Å; G414-G434 WeakPolarHBondContact CA-O 3.42Å; G414-G434 PolarHBondContact N-O 3.16Å |
| 415 | P | 59.7 | Low | 55.2 | Low | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 156.3 | 172.8 | 27.7 | -34.1 | 0 | 0 | 0 | 112.4 | N395 N407 Q436 | N395-P415 HydrophobicContact CB-CB 3.93Å; N395-P415 CarbonylContact O-C 3.56Å; N395-P415 WeakPolarHBondContact O-CA 3.49Å; N395-P415 WeakPolarHBondContact O-CB 3.41Å; N407-P415 HydrophobicContact CB-CB 4.36Å; N407-P415 HydrophobicContact CB-CG 3.86Å; N407-P415 WeakPolarHBondContact ND2-CB 3.32Å; N407-P415 VanDerWaalsContact ND2-CG 3.27Å; N407-P415 WeakPolarHBondContact ND2-CG 3.45Å; P415-Q436 PolarHBondContact O-N 3.1Å |
| 416 | Q | 58.6 | Low | 55 | Low | 52 Ų | 52 | 61 Ų | 61 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.5 | 168.2 | -166.8 | -179 | 7.5 | 0 | 0 | 109.4 | N395 Q396 N397 Q418 Q436 | N395-Q416 PolarHBondContact O-N 3.49Å; Q396-Q416 WeakPolarHBondContact CA-O 3.27Å; Q396-Q416 HydrophobicContact CG-CB 4.37Å; N397-Q416 PolarHBondContact N-O 2.89Å; N397-Q416 VanDerWaalsContact N-O 3.12Å; Q416-Q418 HydrophobicContact CG-CG 4.46Å; Q416-Q436 WeakPolarHBondContact CA-O 3.04Å; Q416-Q436 HydrophobicContact CG-CB 4.22Å |
| 417 | N | 61.9 | Low | 54.8 | Low | 16 Ų | 16 | 57.8 Ų | 57.8 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.8 | 171.6 | -52.4 | -56.1 | 0 | 0 | 0 | 109.9 | N397 Q436 N437 Q438 | N397-N417 WeakPolarHBondContact CB-OD1 3.47Å; N397-N417 VanDerWaalsContact O-CA 3.31Å; N397-N417 WeakPolarHBondContact O-CA 3.3Å; N417-Q436 PolarHBondContact N-O 2.95Å; N417-N437 WeakPolarHBondContact CB-OD1 3.45Å; N417-N437 PolarHBondContact ND2-OD1 3.03Å; N417-N437 WeakPolarHBondContact O-CA 3.28Å; N417-Q438 PolarHBondContact O-N 3.33Å; N417-Q438 VanDerWaalsContact O-N 3.09Å |
| 418 | Q | 57.1 | Low | 54.4 | Low | 71 Ų | 71 | 63.7 Ų | 63.7 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.8 | 175.5 | -62.1 | -175.8 | 4.4 | 0 | 0 | 110.5 | N397 Q398 A399 Q416 | N397-Q418 PolarHBondContact O-N 3.36Å; Q398-Q418 WeakPolarHBondContact CA-O 3.37Å; Q398-Q418 HydrophobicContact CG-CB 4.31Å; A399-Q418 PolarHBondContact N-O 3.44Å; Q416-Q418 HydrophobicContact CG-CG 4.46Å |
| 419 | G | 55.4 | Low | 54.2 | Low | 23 Ų | 23 | 61.1 Ų | 61.1 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 160.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | A399 Q438 G439 | A399-G419 WeakPolarHBondContact O-CA 3.14Å; G419-Q438 PolarHBondContact N-O 3.09Å; G419-G439 WeakPolarHBondContact O-CA 3.32Å |
| 420 | K | 52.4 | Low | 54.3 | Low | 116 Ų | 116 | 67.3 Ų | 67.3 | 50% | 0.504 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -78.9 | -28.3 | 179.5 | -62.7 | -177.3 | 175.3 | -179.2 | 0 | 112.8 | K400 K440 | K400-K420 WeakPolarHBondContact O-CB 3.35Å; K420-K440 WeakPolarHBondContact O-CB 3.34Å |
| 421 | K | 50.8 | Low | 54.1 | Low | 125 Ų | 125 | 65.4 Ų | 65.4 | 54% | 0.543 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -150.4 | 117.8 | 174.3 | -72.8 | -172.9 | 176.4 | -168.6 | 0 | 105.3 | G402 | G402-K421 PolarHBondContact N-O 2.85Š|
| 422 | G | 45.2 | Very low | 54.1 | Low | 26 Ų | 26 | 59.9 Ų | 59.9 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -144.8 | 127.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G402 | G402-G422 WeakPolarHBondContact O-CA 3.38Å |
| 423 | E | 48.8 | Very low | 54.2 | Low | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -82 | 161.3 | 173.9 | -66.1 | -173.7 | -176.1 | 0 | 0 | 111.8 | E403 G404 A425 E443 | E403-E423 HydrophobicContact CB-CB 4.32Å; E403-E423 HydrophobicContact CG-CB 4.12Å; E403-E423 HydrophobicContact CG-CG 4.28Å; E403-E423 WeakPolarHBondContact CG-OE2 3.25Å; G404-E423 VanDerWaalsContact CA-O 3.25Å; G404-E423 WeakPolarHBondContact CA-O 2.92Å; G404-E423 PolarHBondContact N-O 2.83Å; E423-A425 PolarHBondContact O-N 2.93Å; E423-E443 WeakPolarHBondContact CA-OE2 3.12Å |
| 424 | A | 47.5 | Very low | 54.2 | Low | 48 Ų | 48 | 59 Ų | 59 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 120.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G444 | A424-G444 VanDerWaalsContact CB-O 3.28Å; A424-G444 WeakPolarHBondContact CB-O 2.93Å |
| 425 | A | 54 | Low | 54.4 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 134 | 158 | 0 | 0 | 0 | 0 | 0 | 108.7 | G405 E423 T445 S446 | G405-A425 WeakPolarHBondContact O-CB 3.49Å; E423-A425 PolarHBondContact O-N 2.93Å; A425-T445 HydrophobicContact CB-CG2 4.09Å; A425-T445 VanDerWaalsContact O-CA 3.24Å; A425-T445 WeakPolarHBondContact O-CA 3.16Å; A425-T445 WeakPolarHBondContact O-CB 2.92Å; A425-T445 WeakPolarHBondContact O-CG2 3.36Å; A425-S446 PolarHBondContact O-N 3.34Å |
| 426 | Q | 52.3 | Low | 54.4 | Low | 133 Ų | 133 | 61.9 Ų | 61.9 | 62% | 0.621 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 141.8 | 165.3 | -73.9 | -176.5 | 10.3 | 0 | 0 | 110.2 | ||
| 427 | K | 55.5 | Low | 54.6 | Low | 7 Ų | 7 | 59.9 Ų | 59.9 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.6 | 171.5 | -61.6 | -170.6 | -165.6 | -49.9 | 0 | 111.3 | I432 T445 S446 N447 Q448 | K427-I432 HydrophobicContact CB-CD1 3.82Å; K427-I432 HydrophobicContact CD-CD1 3.44Å; K427-I432 VanDerWaalsContact CD-CD1 3.44Å; K427-I432 HydrophobicContact CG-CD1 4.24Å; K427-T445 HydrophobicContact CB-CG2 4.31Å; K427-T445 HydrophobicContact CD-CG2 3.73Å; K427-T445 VanDerWaalsContact CE-CG2 3.42Å; K427-T445 HydrophobicContact CG-CG2 3.48Å; K427-T445 VanDerWaalsContact CG-CG2 3.48Å; K427-S446 PolarHBondContact N-O 3.18Å; K427-N447 WeakPolarHBondContact CB-OD1 3.47Å; K427-N447 WeakPolarHBondContact CD-OD1 3.46Å; K427-Q448 PolarHBondContact O-N 2.67Å |
| 428 | Q | 54.3 | Low | 54.5 | Low | 124 Ų | 124 | 62.5 Ų | 62.5 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 97.3 | 176.7 | -169 | -180 | 57.1 | 0 | 0 | 109.5 | Q448 | Q428-Q448 WeakPolarHBondContact CA-O 3.31Å |
| 429 | D | 54 | Low | 54.6 | Low | 20 Ų | 20 | 60.3 Ų | 60.3 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 167.7 | -167.3 | -67.1 | -48.6 | 0 | 0 | 0 | 114.6 | T409 I432 Q448 G449 | T409-D429 VanDerWaalsContact C-CG 3.5Å; T409-D429 WeakPolarHBondContact CA-OD1 3.41Å; T409-D429 PolarHBondContact N-OD1 3.23Å; T409-D429 PolarHBondContact N-OD2 2.75Å; T409-D429 WeakPolarHBondContact O-CB 3.44Å; D429-I432 HydrophobicContact CB-CD1 3.66Å; D429-I432 HydrophobicContact CB-CG1 3.57Å; D429-I432 WeakPolarHBondContact OD2-CD1 3.48Å; D429-Q448 PolarHBondContact N-O 3.38Å; D429-G449 WeakPolarHBondContact O-CA 3.36Å |
| 430 | K | 56.7 | Low | 54.7 | Low | 143 Ų | 143 | 64.7 Ų | 64.7 | 62% | 0.622 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -84.1 | -35.5 | 177.1 | -75.1 | -175.9 | -179.8 | -178.3 | 0 | 112.9 | K451 | K430-K451 PolarHBondContact O-N 3.3Š|
| 431 | K | 52.8 | Low | 55.1 | Low | 81 Ų | 81 | 63.4 Ų | 63.4 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | trans | -159.3 | 126.8 | 178.7 | -170.2 | -169.4 | -179.4 | -142.9 | 0 | 109.1 | E433 K451 | K431-E433 WeakPolarHBondContact CE-OE1 3.44Å; K431-E433 IonicContact NZ-OE1 2.58Å; K431-E433 PolarHBondContact NZ-OE1 3.33Å; K431-K451 HydrophobicContact CG-CB 4.34Å; K431-K451 HydrophobicContact CG-CD 4.38Å | ||
| 432 | I | 54.8 | Low | 55.4 | Low | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.3 | 173.6 | -45.3 | -178.8 | 0 | 0 | 0 | 108.5 | K427 D429 | K427-I432 HydrophobicContact CB-CD1 3.82Å; K427-I432 HydrophobicContact CD-CD1 3.44Å; K427-I432 VanDerWaalsContact CD-CD1 3.44Å; K427-I432 HydrophobicContact CG-CD1 4.24Å; D429-I432 HydrophobicContact CB-CD1 3.66Å; D429-I432 HydrophobicContact CB-CG1 3.57Å; D429-I432 WeakPolarHBondContact OD2-CD1 3.48Å |
| 433 | E | 54.9 | Low | 56.2 | Low | 86 Ų | 86 | 59.6 Ų | 59.6 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.5 | 168.9 | -76.1 | 162.3 | -169.4 | 0 | 0 | 108.5 | G414 K431 E453 | G414-E433 PolarHBondContact N-O 2.99Å; K431-E433 WeakPolarHBondContact CE-OE1 3.44Å; K431-E433 IonicContact NZ-OE1 2.58Å; K431-E433 PolarHBondContact NZ-OE1 3.33Å; E433-E453 VanDerWaalsContact CA-OE2 3.27Å; E433-E453 WeakPolarHBondContact CA-OE2 3.39Å |
| 434 | G | 55.8 | Low | 56.7 | Low | 34 Ų | 34 | 55.1 Ų | 55.1 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | trans | 34.8 | 108.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | G414 E453 | G414-G434 VanDerWaalsContact CA-O 3.3Å; G414-G434 WeakPolarHBondContact CA-O 3.42Å; G414-G434 PolarHBondContact N-O 3.16Å; G434-E453 PolarHBondContact N-OE2 2.91Å | ||
| 435 | A | 60.5 | Low | 57.3 | Low | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | trans | -96.8 | 145.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A455 Q456 | A435-A455 HydrophobicContact CB-CB 3.84Å; A435-A455 CarbonylContact O-C 3.6Å; A435-A455 WeakPolarHBondContact O-CA 2.91Å; A435-A455 WeakPolarHBondContact O-CB 3.37Å; A435-Q456 PolarHBondContact O-N 3.26Å | ||
| 436 | Q | 59.1 | Low | 57.5 | Low | 74 Ų | 74 | 54.1 Ų | 54.1 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124 | 176.2 | -71.3 | -170.5 | -22.8 | 0 | 0 | 110.8 | P415 Q416 N417 Q456 | P415-Q436 PolarHBondContact O-N 3.1Å; Q416-Q436 WeakPolarHBondContact CA-O 3.04Å; Q416-Q436 HydrophobicContact CG-CB 4.22Å; N417-Q436 PolarHBondContact N-O 2.95Å; Q436-Q456 WeakPolarHBondContact CA-O 3.37Å; Q436-Q456 HydrophobicContact CG-CB 4.38Å; Q436-Q456 VanDerWaalsContact NE2-OE1 3.1Å |
| 437 | N | 62.6 | Low | 57.8 | Low | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.2 | 172.6 | -52 | -62.7 | 0 | 0 | 0 | 110.5 | N417 P442 Q456 N457 Q458 | N417-N437 WeakPolarHBondContact CB-OD1 3.45Å; N417-N437 PolarHBondContact ND2-OD1 3.03Å; N417-N437 WeakPolarHBondContact O-CA 3.28Å; N437-P442 HydrophobicContact CB-CB 3.94Å; N437-Q456 PolarHBondContact N-O 3.5Å; N437-N457 WeakPolarHBondContact CB-OD1 2.93Å; N437-N457 PolarHBondContact ND2-OD1 2.94Å; N437-N457 WeakPolarHBondContact O-CA 3.26Å; N437-Q458 PolarHBondContact O-N 2.94Å |
| 438 | Q | 59.9 | Low | 58 | Low | 72 Ų | 72 | 52 Ų | 52 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.5 | 178.5 | -62.4 | -176.4 | 14.2 | 0 | 0 | 111.1 | N417 G419 Q458 | N417-Q438 PolarHBondContact O-N 3.33Å; N417-Q438 VanDerWaalsContact O-N 3.09Å; G419-Q438 PolarHBondContact N-O 3.09Å; Q438-Q458 HydrophobicContact CG-CB 4.47Å |
| 439 | G | 60.4 | Low | 58.1 | Low | 24 Ų | 24 | 47.3 Ų | 47.3 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | G419 P442 Q458 G459 | G419-G439 WeakPolarHBondContact O-CA 3.32Å; G439-P442 WeakPolarHBondContact O-CD 3.42Å; G439-Q458 PolarHBondContact N-O 2.84Å; G439-G459 WeakPolarHBondContact O-CA 3.44Å |
| 440 | K | 56.8 | Low | 58.4 | Low | 115 Ų | 115 | 52.3 Ų | 52.3 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -72.6 | -35.8 | 169.3 | -65.9 | -175 | 177.3 | -173.8 | 0 | 111.2 | K420 K460 K461 | K420-K440 WeakPolarHBondContact O-CB 3.34Å; K440-K460 WeakPolarHBondContact O-CB 3.22Å; K440-K460 PolarHBondContact O-N 3.19Å; K440-K460 VanDerWaalsContact O-N 3.14Å; K440-K461 PolarHBondContact O-N 3.22Å; K440-K461 VanDerWaalsContact O-N 3.16Å |
| 441 | K | 59.7 | Low | 58.5 | Low | 90 Ų | 90 | 50.2 Ų | 50.2 | 39% | 0.391 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -137.6 | 78.4 | 174.9 | -64.4 | -169.3 | -177 | -173.3 | 0 | 110 | K461 | K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.34Å |
| 442 | P | 58.7 | Low | 58.8 | Low | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -73.1 | 132.4 | 167.4 | 28.4 | -37 | 0 | 0 | 0 | 111.1 | N437 G439 N457 K461 G462 E463 | N437-P442 HydrophobicContact CB-CB 3.94Å; G439-P442 WeakPolarHBondContact O-CD 3.42Å; P442-N457 HydrophobicContact CB-CB 4.05Å; P442-N457 HydrophobicContact CG-CB 3.99Å; P442-K461 WeakPolarHBondContact CD-O 2.95Å; P442-G462 WeakPolarHBondContact O-CA 3.34Å; P442-E463 PolarHBondContact O-N 2.83Å |
| 443 | E | 61 | Low | 59.1 | Low | 62 Ų | 62 | 49.1 Ų | 49.1 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -104.5 | 144.7 | 165.3 | -72.7 | 167.7 | -153.7 | 0 | 0 | 109.7 | E423 E463 | E423-E443 WeakPolarHBondContact CA-OE2 3.12Å; E443-E463 HydrophobicContact CG-CB 4.4Å |
| 444 | G | 59 | Low | 59.5 | Low | 8 Ų | 8 | 45.4 Ų | 45.4 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 151.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A424 E463 | A424-G444 VanDerWaalsContact CB-O 3.28Å; A424-G444 WeakPolarHBondContact CB-O 2.93Å; G444-E463 WeakPolarHBondContact CA-O 3.03Å; G444-E463 PolarHBondContact N-O 2.9Å |
| 445 | T | 60.7 | Low | 59.9 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 128.7 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 110.3 | A425 K427 A465 | A425-T445 HydrophobicContact CB-CG2 4.09Å; A425-T445 VanDerWaalsContact O-CA 3.24Å; A425-T445 WeakPolarHBondContact O-CA 3.16Å; A425-T445 WeakPolarHBondContact O-CB 2.92Å; A425-T445 WeakPolarHBondContact O-CG2 3.36Å; K427-T445 HydrophobicContact CB-CG2 4.31Å; K427-T445 HydrophobicContact CD-CG2 3.73Å; K427-T445 VanDerWaalsContact CE-CG2 3.42Å; K427-T445 HydrophobicContact CG-CG2 3.48Å; K427-T445 VanDerWaalsContact CG-CG2 3.48Å; T445-A465 WeakPolarHBondContact O-CB 3.38Å |
| 446 | S | 58.4 | Low | 60.1 | Low | 26 Ų | 26 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.5 | 173.3 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | A425 K427 Q466 | A425-S446 PolarHBondContact O-N 3.34Å; K427-S446 PolarHBondContact N-O 3.18Å; S446-Q466 CarbonylContact C-O 3.6Å; S446-Q466 VanDerWaalsContact CA-O 3.3Å; S446-Q466 WeakPolarHBondContact CA-O 3.27Å; S446-Q466 PolarHBondContact OG-O 2.91Å |
| 447 | N | 58.5 | Low | 60.3 | Low | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.8 | 178.9 | -62.4 | -39.1 | 0 | 0 | 0 | 110.8 | K427 E453 Q466 N467 Q468 | K427-N447 WeakPolarHBondContact CB-OD1 3.47Å; K427-N447 WeakPolarHBondContact CD-OD1 3.46Å; N447-E453 PolarHBondContact ND2-O 2.87Å; N447-Q466 PolarHBondContact N-O 3.39Å; N447-N467 WeakPolarHBondContact CB-OD1 3.27Å; N447-N467 PolarHBondContact ND2-OD1 2.92Å; N447-Q468 PolarHBondContact O-N 2.83Å |
| 448 | Q | 58.4 | Low | 60.4 | Low | 89 Ų | 89 | 46.9 Ų | 46.9 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.7 | 168.9 | -65.9 | -177.4 | 1.7 | 0 | 0 | 110 | K427 Q428 D429 | K427-Q448 PolarHBondContact O-N 2.67Å; Q428-Q448 WeakPolarHBondContact CA-O 3.31Å; D429-Q448 PolarHBondContact N-O 3.38Å |
| 449 | G | 57.6 | Low | 60.5 | Low | 26 Ų | 26 | 44.4 Ų | 44.4 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | D429 Q468 G469 | D429-G449 WeakPolarHBondContact O-CA 3.36Å; G449-Q468 PolarHBondContact N-O 2.89Å; G449-G469 WeakPolarHBondContact O-CA 3.43Å |
| 450 | K | 59.3 | Low | 60.7 | Low | 126 Ų | 126 | 49 Ų | 49 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -36.2 | 174.2 | -73.3 | -175.2 | -179.1 | -177.8 | 0 | 111.8 | K470 K471 | K450-K470 WeakPolarHBondContact O-CB 3.38Å; K450-K470 PolarHBondContact O-N 2.82Å; K450-K471 PolarHBondContact O-N 3.2Å |
| 451 | K | 59 | Low | 61.1 | Low | 98 Ų | 98 | 48.2 Ų | 48.2 | 43% | 0.426 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 130.6 | 174.8 | -65.1 | -174.2 | 179.4 | -176.4 | 0 | 108.4 | K430 K431 K471 | K430-K451 PolarHBondContact O-N 3.3Å; K431-K451 HydrophobicContact CG-CB 4.34Å; K431-K451 HydrophobicContact CG-CD 4.38Å; K451-K471 WeakPolarHBondContact CA-O 3.36Å; K451-K471 HydrophobicContact CG-CB 4.31Å; K451-K471 HydrophobicContact CG-CD 4.45Å |
| 452 | G | 58.8 | Low | 61.1 | Low | 13 Ų | 13 | 44.2 Ų | 44.2 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 137.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K471 G472 E473 | G452-K471 PolarHBondContact N-O 3.34Å; G452-G472 VanDerWaalsContact O-CA 3.29Å; G452-G472 WeakPolarHBondContact O-CA 3.34Å; G452-E473 PolarHBondContact O-N 3.07Å; G452-E473 VanDerWaalsContact O-N 3.08Å |
| 453 | E | 62.9 | Low | 61.5 | Low | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.8 | 167.2 | -72.3 | 170.4 | -166 | 0 | 0 | 109.3 | E433 G434 N447 E473 | E433-E453 VanDerWaalsContact CA-OE2 3.27Å; E433-E453 WeakPolarHBondContact CA-OE2 3.39Å; G434-E453 PolarHBondContact N-OE2 2.91Å; N447-E453 PolarHBondContact ND2-O 2.87Å; E453-E473 HydrophobicContact CG-CB 4.26Å |
| 454 | G | 62.1 | Low | 61.6 | Low | 8 Ų | 8 | 45.7 Ų | 45.7 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 155.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E473 | G454-E473 WeakPolarHBondContact CA-O 2.96Å; G454-E473 PolarHBondContact N-O 3.09Å |
| 455 | A | 65.2 | Low | 62 | Low | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 143.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A435 A475 | A435-A455 HydrophobicContact CB-CB 3.84Å; A435-A455 CarbonylContact O-C 3.6Å; A435-A455 WeakPolarHBondContact O-CA 2.91Å; A435-A455 WeakPolarHBondContact O-CB 3.37Å; A455-A475 WeakPolarHBondContact O-CA 3.3Å; A455-A475 WeakPolarHBondContact O-CB 3.3Å |
| 456 | Q | 63.3 | Low | 62.1 | Low | 69 Ų | 69 | 49.4 Ų | 49.4 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.8 | 164.8 | -66.1 | -176.4 | -44.9 | 0 | 0 | 109.5 | A435 Q436 N437 Q476 | A435-Q456 PolarHBondContact O-N 3.26Å; Q436-Q456 WeakPolarHBondContact CA-O 3.37Å; Q436-Q456 HydrophobicContact CG-CB 4.38Å; Q436-Q456 VanDerWaalsContact NE2-OE1 3.1Å; N437-Q456 PolarHBondContact N-O 3.5Å; Q456-Q476 WeakPolarHBondContact CA-O 3.24Å; Q456-Q476 HydrophobicContact CG-CB 4.33Å |
| 457 | N | 64.8 | Low | 62.4 | Low | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.4 | 178.8 | -58.1 | -48.7 | 0 | 0 | 0 | 110.7 | N437 P442 E463 Q476 N477 Q478 | N437-N457 WeakPolarHBondContact CB-OD1 2.93Å; N437-N457 PolarHBondContact ND2-OD1 2.94Å; N437-N457 WeakPolarHBondContact O-CA 3.26Å; P442-N457 HydrophobicContact CB-CB 4.05Å; P442-N457 HydrophobicContact CG-CB 3.99Å; N457-E463 PolarHBondContact ND2-O 2.88Å; N457-Q476 PolarHBondContact N-O 3.41Å; N457-N477 VanDerWaalsContact CB-OD1 3.3Å; N457-N477 WeakPolarHBondContact CB-OD1 3.31Å; N457-N477 PolarHBondContact ND2-OD1 2.86Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; N457-Q478 PolarHBondContact O-N 2.86Å |
| 458 | Q | 63.6 | Low | 62.6 | Low | 81 Ų | 81 | 52 Ų | 52 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.4 | 175.9 | -64.4 | -175.7 | 8.6 | 0 | 0 | 110.9 | N437 Q438 G439 Q478 | N437-Q458 PolarHBondContact O-N 2.94Å; Q438-Q458 HydrophobicContact CG-CB 4.47Å; G439-Q458 PolarHBondContact N-O 2.84Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å |
| 459 | G | 62.9 | Low | 62.8 | Low | 20 Ų | 20 | 49 Ų | 49 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -176.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | G439 Q478 G479 | G439-G459 WeakPolarHBondContact O-CA 3.44Å; G459-Q478 PolarHBondContact N-O 3.27Å; G459-G479 WeakPolarHBondContact O-CA 3.3Å |
| 460 | K | 64 | Low | 63.1 | Low | 120 Ų | 120 | 53.1 Ų | 53.1 | 52% | 0.522 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -36.8 | 176.8 | -70.7 | -173.3 | 178.9 | -175.4 | 0 | 111.8 | K440 K480 K481 | K440-K460 WeakPolarHBondContact O-CB 3.22Å; K440-K460 PolarHBondContact O-N 3.19Å; K440-K460 VanDerWaalsContact O-N 3.14Å; K460-K480 WeakPolarHBondContact O-CB 3.46Å; K460-K480 PolarHBondContact O-N 3.23Å; K460-K481 PolarHBondContact O-N 2.87Å; K460-K481 VanDerWaalsContact O-N 3.08Å |
| 461 | K | 64.7 | Low | 63.3 | Low | 99 Ų | 99 | 51.9 Ų | 51.9 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.1 | 169.6 | -60 | -171.7 | 177.5 | -169.2 | 0 | 107.6 | K440 K441 P442 K481 | K440-K461 PolarHBondContact O-N 3.22Å; K440-K461 VanDerWaalsContact O-N 3.16Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.34Å; P442-K461 WeakPolarHBondContact CD-O 2.95Å; K461-K481 CarbonylContact C-O 3.58Å; K461-K481 VanDerWaalsContact CA-O 3.3Å; K461-K481 WeakPolarHBondContact CA-O 3.11Å; K461-K481 HydrophobicContact CG-CB 4.28Å; K461-K481 HydrophobicContact CG-CD 4.45Å |
| 462 | G | 60.9 | Low | 63.5 | Low | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P442 K481 G482 E483 | P442-G462 WeakPolarHBondContact O-CA 3.34Å; G462-K481 PolarHBondContact N-O 3.37Å; G462-G482 CarbonylContact O-C 3.55Å; G462-G482 VanDerWaalsContact O-CA 3.25Å; G462-G482 WeakPolarHBondContact O-CA 3.42Å; G462-E483 PolarHBondContact O-N 2.96Å |
| 463 | E | 65.8 | Low | 63.8 | Low | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.7 | 171.1 | -73.3 | 172.6 | -154.9 | 0 | 0 | 109.5 | P442 E443 G444 N457 E483 | P442-E463 PolarHBondContact O-N 2.83Å; E443-E463 HydrophobicContact CG-CB 4.4Å; G444-E463 WeakPolarHBondContact CA-O 3.03Å; G444-E463 PolarHBondContact N-O 2.9Å; N457-E463 PolarHBondContact ND2-O 2.88Å; E463-E483 HydrophobicContact CG-CB 4.32Å |
| 464 | G | 63.9 | Low | 63.9 | Low | 15 Ų | 15 | 48.7 Ų | 48.7 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 155.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N477 E483 | G464-N477 WeakPolarHBondContact CA-ND2 3.49Å; G464-E483 PolarHBondContact N-O 3.34Å |
| 465 | A | 66.7 | Low | 64.1 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 139.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T445 A475 A485 | T445-A465 WeakPolarHBondContact O-CB 3.38Å; A465-A475 HydrophobicContact CB-CB 4.02Å; A465-A485 WeakPolarHBondContact O-CA 3.34Å; A465-A485 WeakPolarHBondContact O-CB 3.33Å |
| 466 | Q | 63.8 | Low | 64.2 | Low | 86 Ų | 86 | 51.6 Ų | 51.6 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 130.5 | 165.5 | -68.1 | -177.4 | -45.7 | 0 | 0 | 110.4 | S446 N447 Q486 | S446-Q466 CarbonylContact C-O 3.6Å; S446-Q466 VanDerWaalsContact CA-O 3.3Å; S446-Q466 WeakPolarHBondContact CA-O 3.27Å; S446-Q466 PolarHBondContact OG-O 2.91Å; N447-Q466 PolarHBondContact N-O 3.39Å; Q466-Q486 WeakPolarHBondContact CA-O 3.23Å; Q466-Q486 HydrophobicContact CG-CB 4.29Å |
| 467 | N | 63.7 | Low | 64.3 | Low | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.6 | 173.6 | -59.3 | -67.1 | 0 | 0 | 0 | 111 | N447 E473 Q486 N487 Q488 | N447-N467 WeakPolarHBondContact CB-OD1 3.27Å; N447-N467 PolarHBondContact ND2-OD1 2.92Å; N467-E473 PolarHBondContact ND2-O 3.11Å; N467-Q486 PolarHBondContact N-O 2.84Å; N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.65Å; N467-N487 WeakPolarHBondContact O-CA 3.45Å; N467-Q488 PolarHBondContact O-N 3.38Å |
| 468 | Q | 62.4 | Low | 64.3 | Low | 84 Ų | 84 | 52.7 Ų | 52.7 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.4 | 173.1 | -64.1 | -176.8 | 10.6 | 0 | 0 | 110.3 | N447 G449 Q488 | N447-Q468 PolarHBondContact O-N 2.83Å; G449-Q468 PolarHBondContact N-O 2.89Å; Q468-Q488 WeakPolarHBondContact CA-O 3.39Å |
| 469 | G | 62.5 | Low | 64.4 | Low | 26 Ų | 26 | 49.9 Ų | 49.9 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -173.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | G449 Q488 G489 K490 | G449-G469 WeakPolarHBondContact O-CA 3.43Å; G469-Q488 PolarHBondContact N-O 2.87Å; G469-G489 WeakPolarHBondContact O-CA 3.45Å; G469-K490 PolarHBondContact O-N 2.84Å |
| 470 | K | 64.9 | Low | 64.6 | Low | 113 Ų | 113 | 54.4 Ų | 54.4 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -35.6 | 174.1 | -69.1 | -174.8 | -179.7 | -176 | 0 | 111.8 | K450 K490 K491 | K450-K470 WeakPolarHBondContact O-CB 3.38Å; K450-K470 PolarHBondContact O-N 2.82Å; K470-K490 WeakPolarHBondContact O-CB 3.48Å; K470-K490 PolarHBondContact O-N 3.33Å; K470-K491 PolarHBondContact O-N 3.48Å; K470-K491 VanDerWaalsContact O-N 3.08Å |
| 471 | K | 63.9 | Low | 64.9 | Low | 99 Ų | 99 | 53.4 Ų | 53.4 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.5 | 171.8 | -62.1 | -168.3 | 178.6 | -166.7 | 0 | 109.1 | K450 K451 G452 K491 | K450-K471 PolarHBondContact O-N 3.2Å; K451-K471 WeakPolarHBondContact CA-O 3.36Å; K451-K471 HydrophobicContact CG-CB 4.31Å; K451-K471 HydrophobicContact CG-CD 4.45Å; G452-K471 PolarHBondContact N-O 3.34Å; K471-K491 WeakPolarHBondContact CA-O 3.47Å; K471-K491 HydrophobicContact CG-CB 4.34Å |
| 472 | G | 61.9 | Low | 64.8 | Low | 8 Ų | 8 | 49.2 Ų | 49.2 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G452 K491 G492 E493 | G452-G472 VanDerWaalsContact O-CA 3.29Å; G452-G472 WeakPolarHBondContact O-CA 3.34Å; G472-K491 PolarHBondContact N-O 3.01Å; G472-G492 CarbonylContact O-C 3.58Å; G472-G492 VanDerWaalsContact O-CA 3.25Å; G472-G492 WeakPolarHBondContact O-CA 3.08Å; G472-E493 PolarHBondContact O-N 3.11Å |
| 473 | E | 66.1 | Low | 65.1 | Low | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.6 | 169.8 | -70.1 | 174.1 | -155.7 | 0 | 0 | 109.3 | G452 E453 G454 N467 E493 | G452-E473 PolarHBondContact O-N 3.07Å; G452-E473 VanDerWaalsContact O-N 3.08Å; E453-E473 HydrophobicContact CG-CB 4.26Å; G454-E473 WeakPolarHBondContact CA-O 2.96Å; G454-E473 PolarHBondContact N-O 3.09Å; N467-E473 PolarHBondContact ND2-O 3.11Å; E473-E493 HydrophobicContact CG-CB 4.19Å |
| 474 | G | 63.9 | Low | 65.1 | Low | 13 Ų | 13 | 49.7 Ų | 49.7 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 154 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | N487 E493 | G474-N487 VanDerWaalsContact CA-ND2 3.32Å; G474-N487 WeakPolarHBondContact CA-ND2 3.39Å; G474-N487 PolarHBondContact N-ND2 3.47Å; G474-E493 PolarHBondContact N-O 2.89Å |
| 475 | A | 67.7 | Low | 65.3 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 143.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A455 A465 A485 A495 | A455-A475 WeakPolarHBondContact O-CA 3.3Å; A455-A475 WeakPolarHBondContact O-CB 3.3Å; A465-A475 HydrophobicContact CB-CB 4.02Å; A475-A485 HydrophobicContact CB-CB 4.08Å; A475-A495 WeakPolarHBondContact O-CA 3.41Å; A475-A495 WeakPolarHBondContact O-CB 3.2Å |
| 476 | Q | 66.4 | Low | 65.3 | Low | 70 Ų | 70 | 52.1 Ų | 52.1 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 126 | 166.2 | -64.5 | 179.7 | -45.6 | 0 | 0 | 110.1 | Q456 N457 Q496 | Q456-Q476 WeakPolarHBondContact CA-O 3.24Å; Q456-Q476 HydrophobicContact CG-CB 4.33Å; N457-Q476 PolarHBondContact N-O 3.41Å; Q476-Q496 VanDerWaalsContact CA-O 3.31Å; Q476-Q496 WeakPolarHBondContact CA-O 3.23Å; Q476-Q496 HydrophobicContact CG-CB 4.28Å |
| 477 | N | 65.7 | Low | 65.4 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.1 | 174.5 | -56.7 | -69.3 | 0 | 0 | 0 | 111.1 | N457 G464 E483 Q496 N497 Q498 | N457-N477 VanDerWaalsContact CB-OD1 3.3Å; N457-N477 WeakPolarHBondContact CB-OD1 3.31Å; N457-N477 PolarHBondContact ND2-OD1 2.86Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; G464-N477 WeakPolarHBondContact CA-ND2 3.49Å; N477-E483 PolarHBondContact ND2-O 3.03Å; N477-Q496 PolarHBondContact N-O 3.44Å; N477-N497 WeakPolarHBondContact CB-OD1 3.31Å; N477-N497 PolarHBondContact ND2-OD1 2.86Å; N477-Q498 PolarHBondContact O-N 2.9Å |
| 478 | Q | 65.7 | Low | 65.5 | Low | 91 Ų | 91 | 52.1 Ų | 52.1 | 43% | 0.425 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123 | 172.3 | -63.7 | -177.1 | 10.5 | 0 | 0 | 110.3 | N457 Q458 G459 | N457-Q478 PolarHBondContact O-N 2.86Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å; G459-Q478 PolarHBondContact N-O 3.27Å |
| 479 | G | 64.4 | Low | 65.6 | Low | 22 Ų | 22 | 49.1 Ų | 49.1 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -175.5 | -178 | 0 | 0 | 0 | 0 | 0 | 117.7 | G459 Q498 G499 | G459-G479 WeakPolarHBondContact O-CA 3.3Å; G479-Q498 PolarHBondContact N-O 2.95Å; G479-G499 WeakPolarHBondContact O-CA 3.44Å |
| 480 | K | 68.6 | Low | 65.9 | Low | 115 Ų | 115 | 53.2 Ų | 53.2 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -35.5 | 173.6 | -68.8 | -174.1 | -179.9 | -175.3 | 0 | 111.5 | K460 K500 K501 | K460-K480 WeakPolarHBondContact O-CB 3.46Å; K460-K480 PolarHBondContact O-N 3.23Å; K480-K500 WeakPolarHBondContact O-CB 3.13Å; K480-K500 PolarHBondContact O-N 2.93Å; K480-K501 PolarHBondContact O-N 2.87Å |
| 481 | K | 69.5 | Low | 66.1 | Low | 99 Ų | 99 | 52.8 Ų | 52.8 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.8 | 170.9 | -61.2 | -166.7 | 178.4 | -166.4 | 0 | 108.8 | K460 K461 G462 K501 | K460-K481 PolarHBondContact O-N 2.87Å; K460-K481 VanDerWaalsContact O-N 3.08Å; K461-K481 CarbonylContact C-O 3.58Å; K461-K481 VanDerWaalsContact CA-O 3.3Å; K461-K481 WeakPolarHBondContact CA-O 3.11Å; K461-K481 HydrophobicContact CG-CB 4.28Å; K461-K481 HydrophobicContact CG-CD 4.45Å; G462-K481 PolarHBondContact N-O 3.37Å; K481-K501 CarbonylContact C-O 3.46Å; K481-K501 VanDerWaalsContact CA-O 3.27Å; K481-K501 WeakPolarHBondContact CA-O 3.32Å; K481-K501 HydrophobicContact CG-CB 4.33Å |
| 482 | G | 63.2 | Low | 66.1 | Low | 10 Ų | 10 | 48.4 Ų | 48.4 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | G462 K501 G502 E503 | G462-G482 CarbonylContact O-C 3.55Å; G462-G482 VanDerWaalsContact O-CA 3.25Å; G462-G482 WeakPolarHBondContact O-CA 3.42Å; G482-K501 PolarHBondContact N-O 3.05Å; G482-G502 CarbonylContact O-C 3.59Å; G482-G502 WeakPolarHBondContact O-CA 3.21Å; G482-E503 PolarHBondContact O-N 2.91Å |
| 483 | E | 67.5 | Low | 66.3 | Low | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.3 | 170.4 | -73.2 | 173.2 | -153.8 | 0 | 0 | 109.8 | G462 E463 G464 N477 E503 | G462-E483 PolarHBondContact O-N 2.96Å; E463-E483 HydrophobicContact CG-CB 4.32Å; G464-E483 PolarHBondContact N-O 3.34Å; N477-E483 PolarHBondContact ND2-O 3.03Å; E483-E503 HydrophobicContact CG-CB 4.24Å |
| 484 | G | 64.8 | Low | 66.2 | Low | 18 Ų | 18 | 48.8 Ų | 48.8 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 153.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N497 E503 | G484-N497 WeakPolarHBondContact CA-ND2 3.37Å; G484-N497 PolarHBondContact N-ND2 2.82Å; G484-E503 PolarHBondContact N-O 2.9Å |
| 485 | A | 67.8 | Low | 66.4 | Low | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -66 | 151.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A465 A475 A495 A505 Q506 | A465-A485 WeakPolarHBondContact O-CA 3.34Å; A465-A485 WeakPolarHBondContact O-CB 3.33Å; A475-A485 HydrophobicContact CB-CB 4.08Å; A485-A495 HydrophobicContact CB-CB 3.91Å; A485-A505 VanDerWaalsContact O-CA 3.31Å; A485-A505 WeakPolarHBondContact O-CA 3.38Å; A485-A505 WeakPolarHBondContact O-CB 3.47Å; A485-Q506 PolarHBondContact O-N 2.92Å |
| 486 | Q | 66.4 | Low | 66.5 | Low | 65 Ų | 65 | 51.2 Ų | 51.2 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.6 | 161.9 | -62.6 | -179.2 | -50.2 | 0 | 0 | 110.2 | Q466 N467 Q506 | Q466-Q486 WeakPolarHBondContact CA-O 3.23Å; Q466-Q486 HydrophobicContact CG-CB 4.29Å; N467-Q486 PolarHBondContact N-O 2.84Å; Q486-Q506 CarbonylContact C-O 3.56Å; Q486-Q506 VanDerWaalsContact CA-O 3.29Å; Q486-Q506 WeakPolarHBondContact CA-O 3.38Å; Q486-Q506 HydrophobicContact CG-CB 4.23Å |
| 487 | N | 66.2 | Low | 66.5 | Low | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.1 | 173 | -56.4 | -61.3 | 0 | 0 | 0 | 110.8 | N467 G474 E493 Q506 N507 Q508 | N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.65Å; N467-N487 WeakPolarHBondContact O-CA 3.45Å; G474-N487 VanDerWaalsContact CA-ND2 3.32Å; G474-N487 WeakPolarHBondContact CA-ND2 3.39Å; G474-N487 PolarHBondContact N-ND2 3.47Å; N487-E493 PolarHBondContact ND2-O 3.23Å; N487-Q506 PolarHBondContact N-O 3.37Å; N487-N507 WeakPolarHBondContact CB-OD1 3.41Å; N487-N507 PolarHBondContact ND2-OD1 2.94Å; N487-Q508 PolarHBondContact O-N 2.98Å |
| 488 | Q | 65.4 | Low | 66.6 | Low | 87 Ų | 87 | 51.9 Ų | 51.9 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.6 | 173.9 | -63.3 | -176 | 9.9 | 0 | 0 | 110.2 | N467 Q468 G469 Q508 | N467-Q488 PolarHBondContact O-N 3.38Å; Q468-Q488 WeakPolarHBondContact CA-O 3.39Å; G469-Q488 PolarHBondContact N-O 2.87Å; Q488-Q508 HydrophobicContact CG-CB 4.43Å |
| 489 | G | 64.6 | Low | 66.6 | Low | 22 Ų | 22 | 48.6 Ų | 48.6 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -174.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | G469 Q508 G509 K510 | G469-G489 WeakPolarHBondContact O-CA 3.45Å; G489-Q508 PolarHBondContact N-O 3.43Å; G489-G509 WeakPolarHBondContact O-CA 3.44Å; G489-K510 PolarHBondContact O-N 2.9Å |
| 490 | K | 69 | Low | 66.8 | Low | 111 Ų | 111 | 53 Ų | 53 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -37.1 | 174.4 | -69.2 | -173.5 | -179.6 | -174.5 | 0 | 111.6 | G469 K470 K510 K511 | G469-K490 PolarHBondContact O-N 2.84Å; K470-K490 WeakPolarHBondContact O-CB 3.48Å; K470-K490 PolarHBondContact O-N 3.33Å; K490-K510 WeakPolarHBondContact O-CB 3.38Å; K490-K510 PolarHBondContact O-N 3.2Å; K490-K511 PolarHBondContact O-N 3.36Å |
| 491 | K | 69.6 | Low | 66.9 | Low | 104 Ų | 104 | 52.7 Ų | 52.7 | 45% | 0.452 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.5 | 171.1 | -61.3 | -167.9 | 178.6 | -166.7 | 0 | 108.9 | K470 K471 G472 K511 | K470-K491 PolarHBondContact O-N 3.48Å; K470-K491 VanDerWaalsContact O-N 3.08Å; K471-K491 WeakPolarHBondContact CA-O 3.47Å; K471-K491 HydrophobicContact CG-CB 4.34Å; G472-K491 PolarHBondContact N-O 3.01Å; K491-K511 CarbonylContact C-O 3.54Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.3Å; K491-K511 HydrophobicContact CG-CB 4.34Å |
| 492 | G | 62.9 | Low | 66.6 | Low | 8 Ų | 8 | 48.3 Ų | 48.3 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G472 K511 G512 E513 | G472-G492 CarbonylContact O-C 3.58Å; G472-G492 VanDerWaalsContact O-CA 3.25Å; G472-G492 WeakPolarHBondContact O-CA 3.08Å; G492-K511 PolarHBondContact N-O 3.19Å; G492-G512 CarbonylContact O-C 3.57Å; G492-G512 WeakPolarHBondContact O-CA 3.39Å; G492-E513 PolarHBondContact O-N 2.9Å |
| 493 | E | 67.1 | Low | 66.9 | Low | 80 Ų | 80 | 52.1 Ų | 52.1 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.3 | 168.7 | -70.4 | 174 | -157.3 | 0 | 0 | 109.8 | G472 E473 G474 N487 E513 | G472-E493 PolarHBondContact O-N 3.11Å; E473-E493 HydrophobicContact CG-CB 4.19Å; G474-E493 PolarHBondContact N-O 2.89Å; N487-E493 PolarHBondContact ND2-O 3.23Å; E493-E513 HydrophobicContact CG-CB 4.19Å; E493-E513 HydrophobicContact CG-CG 4.44Å |
| 494 | G | 64.4 | Low | 66.7 | Low | 18 Ų | 18 | 49 Ų | 49 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | trans | -71.8 | 151.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N507 E513 | G494-N507 WeakPolarHBondContact CA-ND2 3.36Å; G494-N507 PolarHBondContact N-ND2 2.94Å; G494-E513 PolarHBondContact N-O 2.86Å | ||
| 495 | A | 68.1 | Low | 67 | Low | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | trans | -69.9 | 152.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A475 A485 A505 A515 Q516 | A475-A495 WeakPolarHBondContact O-CA 3.41Å; A475-A495 WeakPolarHBondContact O-CB 3.2Å; A485-A495 HydrophobicContact CB-CB 3.91Å; A495-A505 HydrophobicContact CB-CB 3.75Å; A495-A515 WeakPolarHBondContact O-CA 3.36Å; A495-A515 WeakPolarHBondContact O-CB 3.37Å; A495-Q516 PolarHBondContact O-N 2.9Å; A495-Q516 VanDerWaalsContact O-N 3.15Å | ||
| 496 | Q | 68.4 | Low | 67 | Low | 64 Ų | 64 | 51.3 Ų | 51.3 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.4 | 166.3 | -63.4 | 179.9 | -46.6 | 0 | 0 | 110.5 | Q476 N477 Q516 | Q476-Q496 VanDerWaalsContact CA-O 3.31Å; Q476-Q496 WeakPolarHBondContact CA-O 3.23Å; Q476-Q496 HydrophobicContact CG-CB 4.28Å; N477-Q496 PolarHBondContact N-O 3.44Å; Q496-Q516 VanDerWaalsContact CA-O 3.3Å; Q496-Q516 WeakPolarHBondContact CA-O 3.34Å; Q496-Q516 HydrophobicContact CG-CB 4.28Å |
| 497 | N | 67.3 | Low | 67.1 | Low | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.6 | 174 | -72.3 | -25.9 | 0 | 0 | 0 | 110.3 | N477 G484 E503 Q516 N517 Q518 | N477-N497 WeakPolarHBondContact CB-OD1 3.31Å; N477-N497 PolarHBondContact ND2-OD1 2.86Å; G484-N497 WeakPolarHBondContact CA-ND2 3.37Å; G484-N497 PolarHBondContact N-ND2 2.82Å; N497-E503 PolarHBondContact ND2-O 2.95Å; N497-Q516 PolarHBondContact N-O 2.9Å; N497-N517 PolarHBondContact O-OD1 2.87Å; N497-Q518 PolarHBondContact O-N 3.34Å |
| 498 | Q | 67 | Low | 67.1 | Low | 84 Ų | 84 | 52.1 Ų | 52.1 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.3 | 175.2 | -63.8 | -175.6 | 11.5 | 0 | 0 | 110.2 | N477 G479 Q518 | N477-Q498 PolarHBondContact O-N 2.9Å; G479-Q498 PolarHBondContact N-O 2.95Å; Q498-Q518 WeakPolarHBondContact CA-O 2.89Å; Q498-Q518 HydrophobicContact CG-CB 4.43Å |
| 499 | G | 65.7 | Low | 67.3 | Low | 21 Ų | 21 | 49.1 Ų | 49.1 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -176.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 118 | G479 Q518 G519 K520 | G479-G499 WeakPolarHBondContact O-CA 3.44Å; G499-Q518 PolarHBondContact N-O 3.48Å; G499-G519 WeakPolarHBondContact O-CA 3.38Å; G499-K520 PolarHBondContact O-N 3.11Å |
| 500 | K | 69.9 | Low | 67.6 | Low | 116 Ų | 116 | 53.7 Ų | 53.7 | 50% | 0.504 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -37.2 | 175 | -69.8 | -172.7 | -179.6 | -174.4 | 0 | 111.6 | K480 K520 K521 | K480-K500 WeakPolarHBondContact O-CB 3.13Å; K480-K500 PolarHBondContact O-N 2.93Å; K500-K520 WeakPolarHBondContact O-CB 3.37Å; K500-K520 PolarHBondContact O-N 3.22Å; K500-K521 PolarHBondContact O-N 2.94Å; K500-K521 VanDerWaalsContact O-N 3.09Å |
| 501 | K | 71 | Confident | 67.8 | Low | 108 Ų | 108 | 53.8 Ų | 53.8 | 47% | 0.47 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.2 | 170.7 | -64.9 | -170.4 | 176.4 | -165.6 | 0 | 108.4 | K480 K481 G482 K521 | K480-K501 PolarHBondContact O-N 2.87Å; K481-K501 CarbonylContact C-O 3.46Å; K481-K501 VanDerWaalsContact CA-O 3.27Å; K481-K501 WeakPolarHBondContact CA-O 3.32Å; K481-K501 HydrophobicContact CG-CB 4.33Å; G482-K501 PolarHBondContact N-O 3.05Å; K501-K521 VanDerWaalsContact CA-O 3.26Å; K501-K521 WeakPolarHBondContact CA-O 3.38Å |
| 502 | G | 63.5 | Low | 67.6 | Low | 6 Ų | 6 | 49.1 Ų | 49.1 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G482 N517 K521 G522 E523 | G482-G502 CarbonylContact O-C 3.59Å; G482-G502 WeakPolarHBondContact O-CA 3.21Å; G502-N517 PolarHBondContact O-ND2 3.01Å; G502-K521 PolarHBondContact N-O 3.46Å; G502-K521 VanDerWaalsContact N-O 3.1Å; G502-G522 CarbonylContact O-C 3.57Å; G502-G522 WeakPolarHBondContact O-CA 3.48Å; G502-E523 PolarHBondContact O-N 3.42Å |
| 503 | E | 67.7 | Low | 67.8 | Low | 91 Ų | 91 | 53 Ų | 53 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.6 | 165.5 | -74.1 | 171.5 | -157.2 | 0 | 0 | 109.4 | G482 E483 G484 N497 E523 | G482-E503 PolarHBondContact O-N 2.91Å; E483-E503 HydrophobicContact CG-CB 4.24Å; G484-E503 PolarHBondContact N-O 2.9Å; N497-E503 PolarHBondContact ND2-O 2.95Å; E503-E523 HydrophobicContact CG-CB 4.38Å |
| 504 | G | 65.1 | Low | 67.7 | Low | 21 Ų | 21 | 50 Ų | 50 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | trans | -68.6 | 158.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | E523 | G504-E523 WeakPolarHBondContact CA-O 3.4Å; G504-E523 PolarHBondContact N-O 3.43Å | ||
| 505 | A | 69.2 | Low | 68 | Low | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | trans | -85.1 | 154.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A485 A495 A515 P525 Q526 | A485-A505 VanDerWaalsContact O-CA 3.31Å; A485-A505 WeakPolarHBondContact O-CA 3.38Å; A485-A505 WeakPolarHBondContact O-CB 3.47Å; A495-A505 HydrophobicContact CB-CB 3.75Å; A505-A515 HydrophobicContact CB-CB 3.71Å; A505-P525 WeakPolarHBondContact O-CA 3.34Å; A505-P525 VanDerWaalsContact O-CB 3.24Å; A505-P525 WeakPolarHBondContact O-CB 3.31Å; A505-Q526 PolarHBondContact O-N 3.19Å | ||
| 506 | Q | 68.5 | Low | 68.1 | Low | 64 Ų | 64 | 52.1 Ų | 52.1 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.3 | 172 | -60.5 | -173.8 | -50.2 | 0 | 0 | 111.5 | A485 Q486 N487 Q526 | A485-Q506 PolarHBondContact O-N 2.92Å; Q486-Q506 CarbonylContact C-O 3.56Å; Q486-Q506 VanDerWaalsContact CA-O 3.29Å; Q486-Q506 WeakPolarHBondContact CA-O 3.38Å; Q486-Q506 HydrophobicContact CG-CB 4.23Å; N487-Q506 PolarHBondContact N-O 3.37Å; Q506-Q526 VanDerWaalsContact CA-O 3.29Å; Q506-Q526 WeakPolarHBondContact CA-O 3.3Å; Q506-Q526 HydrophobicContact CG-CB 4.24Å |
| 507 | N | 67.8 | Low | 68.2 | Low | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128 | 173.9 | -73.6 | -23.6 | 0 | 0 | 0 | 110.8 | N487 G494 E513 Q526 Q528 | N487-N507 WeakPolarHBondContact CB-OD1 3.41Å; N487-N507 PolarHBondContact ND2-OD1 2.94Å; G494-N507 WeakPolarHBondContact CA-ND2 3.36Å; G494-N507 PolarHBondContact N-ND2 2.94Å; N507-E513 PolarHBondContact ND2-O 3.28Å; N507-Q526 PolarHBondContact N-O 3.47Å; N507-Q528 PolarHBondContact O-N 3.42Å |
| 508 | Q | 68.1 | Low | 68.2 | Low | 80 Ų | 80 | 52.5 Ų | 52.5 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.4 | 176 | -61.3 | -174.4 | 8.5 | 0 | 0 | 111.2 | N487 Q488 G489 Q528 | N487-Q508 PolarHBondContact O-N 2.98Å; Q488-Q508 HydrophobicContact CG-CB 4.43Å; G489-Q508 PolarHBondContact N-O 3.43Å; Q508-Q528 WeakPolarHBondContact CA-O 3.3Å; Q508-Q528 HydrophobicContact CG-CB 4.31Å |
| 509 | G | 68.6 | Low | 68.2 | Low | 25 Ų | 25 | 49.4 Ų | 49.4 | 26% | 0.258 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -168.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | G489 Q528 A529 K530 | G489-G509 WeakPolarHBondContact O-CA 3.44Å; G509-Q528 PolarHBondContact N-O 3.29Å; G509-Q528 VanDerWaalsContact N-O 3.13Å; G509-A529 VanDerWaalsContact O-CA 3.23Å; G509-A529 WeakPolarHBondContact O-CA 3.35Å; G509-K530 PolarHBondContact O-N 3.04Å; G509-K530 VanDerWaalsContact O-N 3.17Å |
| 510 | K | 71.8 | Confident | 68.5 | Low | 117 Ų | 117 | 53.7 Ų | 53.7 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -39.6 | 172.6 | -66 | -169.8 | -179.2 | -169.2 | 0 | 111.6 | G489 K490 K530 K531 | G489-K510 PolarHBondContact O-N 2.9Å; K490-K510 WeakPolarHBondContact O-CB 3.38Å; K490-K510 PolarHBondContact O-N 3.2Å; K510-K530 WeakPolarHBondContact O-CB 3.24Å; K510-K530 PolarHBondContact O-N 3.09Å; K510-K531 PolarHBondContact O-N 3.11Å |
| 511 | K | 73 | Confident | 68.5 | Low | 113 Ų | 113 | 53.4 Ų | 53.4 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134 | 170.6 | -63.7 | -171 | 174.9 | -167.9 | 0 | 108.6 | K490 K491 G492 K531 | K490-K511 PolarHBondContact O-N 3.36Å; K491-K511 CarbonylContact C-O 3.54Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.3Å; K491-K511 HydrophobicContact CG-CB 4.34Å; G492-K511 PolarHBondContact N-O 3.19Å; K511-K531 CarbonylContact C-O 3.48Å; K511-K531 VanDerWaalsContact CA-O 3.29Å; K511-K531 WeakPolarHBondContact CA-O 3.4Å; K511-K531 HydrophobicContact CG-CB 4.43Å |
| 512 | G | 64 | Low | 68.1 | Low | 6 Ų | 6 | 48.7 Ų | 48.7 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 129.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G492 N527 K531 G532 E533 | G492-G512 CarbonylContact O-C 3.57Å; G492-G512 WeakPolarHBondContact O-CA 3.39Å; G512-N527 PolarHBondContact O-ND2 3.3Å; G512-K531 PolarHBondContact N-O 3.28Å; G512-G532 CarbonylContact O-C 3.59Å; G512-G532 WeakPolarHBondContact O-CA 3.34Å; G512-E533 PolarHBondContact O-N 2.96Å |
| 513 | E | 67.9 | Low | 68.3 | Low | 90 Ų | 90 | 53.4 Ų | 53.4 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.5 | 164 | -68.3 | 178.1 | -163.5 | 0 | 0 | 108.6 | G492 E493 G494 N507 E533 | G492-E513 PolarHBondContact O-N 2.9Å; E493-E513 HydrophobicContact CG-CB 4.19Å; E493-E513 HydrophobicContact CG-CG 4.44Å; G494-E513 PolarHBondContact N-O 2.86Å; N507-E513 PolarHBondContact ND2-O 3.28Å; E513-E533 HydrophobicContact CG-CB 4.23Å |
| 514 | G | 65.2 | Low | 68.2 | Low | 16 Ų | 16 | 49.7 Ų | 49.7 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 162.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E533 G534 | G514-E533 PolarHBondContact N-O 2.93Å; G514-G534 WeakPolarHBondContact CA-O 3.27Å; G514-G534 PolarHBondContact N-O 2.66Å |
| 515 | A | 70.3 | Confident | 68.5 | Low | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -86 | 166.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A495 A505 P525 Q536 | A495-A515 WeakPolarHBondContact O-CA 3.36Å; A495-A515 WeakPolarHBondContact O-CB 3.37Å; A505-A515 HydrophobicContact CB-CB 3.71Å; A515-P525 VanDerWaalsContact C-CG 3.47Å; A515-P525 HydrophobicContact CB-CB 3.4Å; A515-P525 HydrophobicContact CB-CG 3.69Å; A515-P525 WeakPolarHBondContact O-CG 3.28Å; A515-Q536 PolarHBondContact O-N 2.85Å |
| 516 | Q | 70.3 | Confident | 68.6 | Low | 61 Ų | 61 | 50.8 Ų | 50.8 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.4 | 171.5 | -60.6 | -179 | -48.6 | 0 | 0 | 110.3 | A495 Q496 N497 Q536 | A495-Q516 PolarHBondContact O-N 2.9Å; A495-Q516 VanDerWaalsContact O-N 3.15Å; Q496-Q516 VanDerWaalsContact CA-O 3.3Å; Q496-Q516 WeakPolarHBondContact CA-O 3.34Å; Q496-Q516 HydrophobicContact CG-CB 4.28Å; N497-Q516 PolarHBondContact N-O 2.9Å; Q516-Q536 WeakPolarHBondContact CA-O 3.29Å; Q516-Q536 HydrophobicContact CG-CB 4.23Å |
| 517 | N | 69.7 | Low | 68.8 | Low | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125.5 | 171.7 | -169.4 | 8.9 | 0 | 0 | 0 | 109.6 | N497 G502 E523 Q536 N537 Q538 | N497-N517 PolarHBondContact O-OD1 2.87Å; G502-N517 PolarHBondContact O-ND2 3.01Å; N517-E523 PolarHBondContact ND2-O 2.86Å; N517-Q536 PolarHBondContact N-O 3.14Å; N517-N537 PolarHBondContact O-OD1 3.36Å; N517-Q538 PolarHBondContact O-N 2.88Å |
| 518 | Q | 68.9 | Low | 69 | Low | 75 Ų | 75 | 50.9 Ų | 50.9 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.2 | 177.9 | -63.7 | -172.9 | 10.4 | 0 | 0 | 110.4 | N497 Q498 G499 Q538 | N497-Q518 PolarHBondContact O-N 3.34Å; Q498-Q518 WeakPolarHBondContact CA-O 2.89Å; Q498-Q518 HydrophobicContact CG-CB 4.43Å; G499-Q518 PolarHBondContact N-O 3.48Å; Q518-Q538 VanDerWaalsContact CA-O 3.32Å; Q518-Q538 WeakPolarHBondContact CA-O 3.31Å; Q518-Q538 HydrophobicContact CG-CB 4.38Å |
| 519 | G | 66.8 | Low | 69.3 | Low | 19 Ų | 19 | 47.3 Ų | 47.3 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | 180 | 178.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | G499 Q538 G539 K540 | G499-G519 WeakPolarHBondContact O-CA 3.38Å; G519-Q538 PolarHBondContact N-O 3.43Å; G519-G539 CarbonylContact O-C 3.59Å; G519-G539 WeakPolarHBondContact O-CA 3.48Å; G519-K540 PolarHBondContact O-N 3.13Å |
| 520 | K | 70.3 | Confident | 69.4 | Low | 111 Ų | 111 | 51.6 Ų | 51.6 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -37.7 | 176.4 | -70.3 | -173 | -179.7 | -174.5 | 0 | 111.5 | G499 K500 K540 K541 | G499-K520 PolarHBondContact O-N 3.11Å; K500-K520 WeakPolarHBondContact O-CB 3.37Å; K500-K520 PolarHBondContact O-N 3.22Å; K520-K540 WeakPolarHBondContact O-CB 3.39Å; K520-K540 PolarHBondContact O-N 2.93Å; K520-K541 PolarHBondContact O-N 2.91Å |
| 521 | K | 70.5 | Confident | 69.5 | Low | 109 Ų | 109 | 50.1 Ų | 50.1 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.3 | 171 | -64.4 | -172.2 | 177.7 | -170.4 | 0 | 107.8 | K500 K501 G502 K541 | K500-K521 PolarHBondContact O-N 2.94Å; K500-K521 VanDerWaalsContact O-N 3.09Å; K501-K521 VanDerWaalsContact CA-O 3.26Å; K501-K521 WeakPolarHBondContact CA-O 3.38Å; G502-K521 PolarHBondContact N-O 3.46Å; G502-K521 VanDerWaalsContact N-O 3.1Å; K521-K541 CarbonylContact C-O 3.56Å; K521-K541 VanDerWaalsContact CA-O 3.28Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å; K521-K541 HydrophobicContact CG-CB 4.37Å |
| 522 | G | 62.9 | Low | 69 | Low | 10 Ų | 10 | 44.8 Ų | 44.8 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 148.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G502 N537 K541 G542 E543 | G502-G522 CarbonylContact O-C 3.57Å; G502-G522 WeakPolarHBondContact O-CA 3.48Å; G522-N537 PolarHBondContact O-ND2 2.86Å; G522-K541 PolarHBondContact N-O 2.9Å; G522-G542 WeakPolarHBondContact O-CA 3.24Å; G522-E543 PolarHBondContact O-N 2.89Å |
| 523 | E | 67.8 | Low | 69.2 | Low | 104 Ų | 104 | 47.2 Ų | 47.2 | 49% | 0.486 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140.4 | 165.7 | -67.1 | -177.7 | -170.1 | 0 | 0 | 109.2 | G502 E503 G504 N517 E543 | G502-E523 PolarHBondContact O-N 3.42Å; E503-E523 HydrophobicContact CG-CB 4.38Å; G504-E523 WeakPolarHBondContact CA-O 3.4Å; G504-E523 PolarHBondContact N-O 3.43Å; N517-E523 PolarHBondContact ND2-O 2.86Å; E523-E543 CarbonylContact C-O 3.53Å; E523-E543 WeakPolarHBondContact CA-O 3.38Å |
| 524 | G | 66.5 | Low | 69.1 | Low | 13 Ų | 13 | 44.1 Ų | 44.1 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -76.6 | 156.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N537 E543 | G524-N537 PolarHBondContact N-ND2 2.89Å; G524-E543 WeakPolarHBondContact CA-O 3.29Å; G524-E543 PolarHBondContact N-O 2.9Å |
| 525 | P | 71.2 | Confident | 69.4 | Low | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 157.4 | 174.9 | 18.1 | -11 | 0 | 0 | 0 | 112.4 | A505 A515 A535 Q546 | A505-P525 WeakPolarHBondContact O-CA 3.34Å; A505-P525 VanDerWaalsContact O-CB 3.24Å; A505-P525 WeakPolarHBondContact O-CB 3.31Å; A515-P525 VanDerWaalsContact C-CG 3.47Å; A515-P525 HydrophobicContact CB-CB 3.4Å; A515-P525 HydrophobicContact CB-CG 3.69Å; A515-P525 WeakPolarHBondContact O-CG 3.28Å; P525-A535 HydrophobicContact CB-CB 4.27Å; P525-A535 HydrophobicContact CG-CB 3.85Å; P525-A535 WeakPolarHBondContact O-CB 3.24Å; P525-Q546 PolarHBondContact O-N 2.9Å; P525-Q546 VanDerWaalsContact O-N 3.08Å |
| 526 | Q | 71.3 | Confident | 69.5 | Low | 45 Ų | 45 | 45.6 Ų | 45.6 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.3 | 177.1 | -173 | -177.1 | -4.9 | 0 | 0 | 110.4 | A505 Q506 N507 Q528 Q546 | A505-Q526 PolarHBondContact O-N 3.19Å; Q506-Q526 VanDerWaalsContact CA-O 3.29Å; Q506-Q526 WeakPolarHBondContact CA-O 3.3Å; Q506-Q526 HydrophobicContact CG-CB 4.24Å; N507-Q526 PolarHBondContact N-O 3.47Å; Q526-Q528 VanDerWaalsContact NE2-NE2 3.13Å; Q526-Q546 WeakPolarHBondContact CA-O 3.31Å; Q526-Q546 HydrophobicContact CG-CB 4.09Å |
| 527 | N | 72.1 | Confident | 69.6 | Low | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119 | 175.7 | -169.8 | 11 | 0 | 0 | 0 | 109.7 | G512 E533 Q546 N547 Q548 | G512-N527 PolarHBondContact O-ND2 3.3Å; N527-E533 PolarHBondContact ND2-O 2.85Å; N527-Q546 PolarHBondContact N-O 2.95Å; N527-N547 CarbonylContact O-C 3.59Å; N527-N547 WeakPolarHBondContact O-CA 3.44Å; N527-N547 PolarHBondContact O-OD1 3.46Å; N527-Q548 PolarHBondContact O-N 3.19Å |
| 528 | Q | 72.5 | Confident | 69.7 | Low | 69 Ų | 69 | 45.8 Ų | 45.8 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 91.8 | 173.5 | -73.2 | -174.1 | -16 | 0 | 0 | 109.3 | N507 Q508 G509 Q526 Q548 | N507-Q528 PolarHBondContact O-N 3.42Å; Q508-Q528 WeakPolarHBondContact CA-O 3.3Å; Q508-Q528 HydrophobicContact CG-CB 4.31Å; G509-Q528 PolarHBondContact N-O 3.29Å; G509-Q528 VanDerWaalsContact N-O 3.13Å; Q526-Q528 VanDerWaalsContact NE2-NE2 3.13Å; Q528-Q548 WeakPolarHBondContact CA-O 3.32Å; Q528-Q548 HydrophobicContact CG-CB 4.2Å |
| 529 | A | 73 | Confident | 69.7 | Low | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G509 K531 Q548 G549 | G509-A529 VanDerWaalsContact O-CA 3.23Å; G509-A529 WeakPolarHBondContact O-CA 3.35Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 WeakPolarHBondContact CB-O 3.44Å; A529-K531 PolarHBondContact O-N 2.93Å; A529-Q548 PolarHBondContact N-O 3.01Å; A529-G549 WeakPolarHBondContact O-CA 3.33Å |
| 530 | K | 71.3 | Confident | 70 | Confident | 116 Ų | 116 | 47.5 Ų | 47.5 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | -40.5 | 174.1 | -68.3 | -178.3 | 179.3 | -179.8 | 0 | 111.6 | G509 K510 K550 K551 | G509-K530 PolarHBondContact O-N 3.04Å; G509-K530 VanDerWaalsContact O-N 3.17Å; K510-K530 WeakPolarHBondContact O-CB 3.24Å; K510-K530 PolarHBondContact O-N 3.09Å; K530-K550 WeakPolarHBondContact O-CB 3.39Å; K530-K550 PolarHBondContact O-N 2.96Å; K530-K550 VanDerWaalsContact O-N 3.15Å; K530-K551 PolarHBondContact O-N 3.49Å |
| 531 | K | 73.3 | Confident | 70.1 | Confident | 85 Ų | 85 | 46.9 Ų | 46.9 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 112 | 163.7 | -166.8 | -166.9 | -174.8 | -120.5 | 0 | 108.3 | K510 K511 G512 A529 E533 K551 | K510-K531 PolarHBondContact O-N 3.11Å; K511-K531 CarbonylContact C-O 3.48Å; K511-K531 VanDerWaalsContact CA-O 3.29Å; K511-K531 WeakPolarHBondContact CA-O 3.4Å; K511-K531 HydrophobicContact CG-CB 4.43Å; G512-K531 PolarHBondContact N-O 3.28Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 WeakPolarHBondContact CB-O 3.44Å; A529-K531 PolarHBondContact O-N 2.93Å; K531-E533 IonicContact NZ-OE1 2.74Å; K531-E533 PolarHBondContact NZ-OE1 2.86Å; K531-K551 CarbonylContact C-O 3.59Å; K531-K551 VanDerWaalsContact CA-O 3.27Å; K531-K551 WeakPolarHBondContact CA-O 3.39Å; K531-K551 HydrophobicContact CG-CB 4.28Å |
| 532 | G | 64.3 | Low | 69.8 | Low | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G512 K551 G552 E553 | G512-G532 CarbonylContact O-C 3.59Å; G512-G532 WeakPolarHBondContact O-CA 3.34Å; G532-K551 PolarHBondContact N-O 3.4Å; G532-G552 CarbonylContact O-C 3.58Å; G532-G552 VanDerWaalsContact O-CA 3.22Å; G532-G552 WeakPolarHBondContact O-CA 3.39Å; G532-E553 PolarHBondContact O-N 3.05Å |
| 533 | E | 68 | Low | 70 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 156.6 | 166.5 | -73.9 | 166.2 | -151.2 | 0 | 0 | 109.9 | G512 E513 G514 N527 K531 E553 | G512-E533 PolarHBondContact O-N 2.96Å; E513-E533 HydrophobicContact CG-CB 4.23Å; G514-E533 PolarHBondContact N-O 2.93Å; N527-E533 PolarHBondContact ND2-O 2.85Å; K531-E533 IonicContact NZ-OE1 2.74Å; K531-E533 PolarHBondContact NZ-OE1 2.86Å; E533-E553 HydrophobicContact CG-CB 4.33Å; E533-E553 HydrophobicContact CG-CG 4.47Å |
| 534 | G | 64.6 | Low | 69.9 | Low | 26 Ų | 26 | 42 Ų | 42 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | trans | -56.1 | 147.6 | -154.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | G514 E553 G554 | G514-G534 WeakPolarHBondContact CA-O 3.27Å; G514-G534 PolarHBondContact N-O 2.66Å; G534-E553 WeakPolarHBondContact CA-O 3.38Å; G534-E553 PolarHBondContact N-O 2.79Å; G534-G554 WeakPolarHBondContact CA-O 3.48Å | ||
| 535 | A | 71.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -98.5 | 130.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P525 A545 A555 Q556 | P525-A535 HydrophobicContact CB-CB 4.27Å; P525-A535 HydrophobicContact CG-CB 3.85Å; P525-A535 WeakPolarHBondContact O-CB 3.24Å; A535-A545 HydrophobicContact CB-CB 4.48Å; A535-A555 HydrophobicContact CB-CB 4.48Å; A535-A555 CarbonylContact O-C 3.57Å; A535-A555 WeakPolarHBondContact O-CA 3.4Å; A535-Q556 PolarHBondContact O-N 3.11Å | ||
| 536 | Q | 72.5 | Confident | 70.2 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 23% | 0.229 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.4 | -176.3 | -62.5 | -178.1 | -37.7 | 0 | 0 | 112.6 | A515 Q516 N517 Q556 | A515-Q536 PolarHBondContact O-N 2.85Å; Q516-Q536 WeakPolarHBondContact CA-O 3.29Å; Q516-Q536 HydrophobicContact CG-CB 4.23Å; N517-Q536 PolarHBondContact N-O 3.14Å; Q536-Q556 WeakPolarHBondContact CA-O 3.19Å; Q536-Q556 HydrophobicContact CG-CB 4.29Å |
| 537 | N | 73 | Confident | 70.1 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.3 | 170.8 | -168.5 | 7.8 | 0 | 0 | 0 | 109.5 | N517 G522 G524 G542 E543 Q556 N557 Q558 | N517-N537 PolarHBondContact O-OD1 3.36Å; G522-N537 PolarHBondContact O-ND2 2.86Å; G524-N537 PolarHBondContact N-ND2 2.89Å; N537-G542 WeakPolarHBondContact ND2-CA 3.27Å; N537-E543 PolarHBondContact ND2-N 2.86Å; N537-E543 PolarHBondContact ND2-O 2.85Å; N537-Q556 PolarHBondContact N-O 3.08Å; N537-N557 CarbonylContact O-C 3.6Å; N537-N557 VanDerWaalsContact O-CA 3.31Å; N537-N557 WeakPolarHBondContact O-CA 2.89Å; N537-N557 PolarHBondContact O-OD1 3.32Å; N537-Q558 PolarHBondContact O-N 2.94Å |
| 538 | Q | 71.8 | Confident | 70.1 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.1 | 179.3 | -61.8 | -174.4 | 9.2 | 0 | 0 | 110.4 | N517 Q518 G519 Q558 | N517-Q538 PolarHBondContact O-N 2.88Å; Q518-Q538 VanDerWaalsContact CA-O 3.32Å; Q518-Q538 WeakPolarHBondContact CA-O 3.31Å; Q518-Q538 HydrophobicContact CG-CB 4.38Å; G519-Q538 PolarHBondContact N-O 3.43Å; Q538-Q558 CarbonylContact C-O 3.42Å; Q538-Q558 WeakPolarHBondContact CA-O 2.89Å; Q538-Q558 HydrophobicContact CG-CB 4.34Å |
| 539 | G | 69.5 | Low | 70 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | -178.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | G519 K541 Q558 G559 | G519-G539 CarbonylContact O-C 3.59Å; G519-G539 WeakPolarHBondContact O-CA 3.48Å; G539-K541 VanDerWaalsContact C-N 3.35Å; G539-Q558 PolarHBondContact N-O 3.21Å; G539-G559 WeakPolarHBondContact O-CA 3.32Å |
| 540 | K | 73.3 | Confident | 70 | Confident | 109 Ų | 109 | 47.3 Ų | 47.3 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -36.5 | 172.7 | -68.5 | -173.8 | 179.7 | -174.3 | 0 | 111.2 | G519 K520 K560 K561 | G519-K540 PolarHBondContact O-N 3.13Å; K520-K540 WeakPolarHBondContact O-CB 3.39Å; K520-K540 PolarHBondContact O-N 2.93Å; K540-K560 WeakPolarHBondContact O-CB 3.23Å; K540-K560 PolarHBondContact O-N 3.39Å; K540-K560 VanDerWaalsContact O-N 3.15Å; K540-K561 PolarHBondContact O-N 3.14Å; K540-K561 VanDerWaalsContact O-N 3.08Å |
| 541 | K | 71.5 | Confident | 69.9 | Low | 98 Ų | 98 | 47.8 Ų | 47.8 | 43% | 0.426 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 116.2 | 170.8 | -61.6 | -169.5 | 177.4 | -166.1 | 0 | 108.5 | K520 K521 G522 G539 K561 | K520-K541 PolarHBondContact O-N 2.91Å; K521-K541 CarbonylContact C-O 3.56Å; K521-K541 VanDerWaalsContact CA-O 3.28Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å; K521-K541 HydrophobicContact CG-CB 4.37Å; G522-K541 PolarHBondContact N-O 2.9Å; G539-K541 VanDerWaalsContact C-N 3.35Å; K541-K561 VanDerWaalsContact CA-O 3.3Å; K541-K561 WeakPolarHBondContact CA-O 3.23Å; K541-K561 HydrophobicContact CG-CB 4.28Å |
| 542 | G | 63.5 | Low | 69.5 | Low | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G522 N537 N557 K561 A562 E563 | G522-G542 WeakPolarHBondContact O-CA 3.24Å; N537-G542 WeakPolarHBondContact ND2-CA 3.27Å; G542-N557 PolarHBondContact O-ND2 2.9Å; G542-K561 PolarHBondContact N-O 3.48Å; G542-A562 WeakPolarHBondContact O-CA 3.39Å; G542-E563 PolarHBondContact O-N 3.36Å |
| 543 | E | 68.4 | Low | 69.6 | Low | 86 Ų | 86 | 48 Ų | 48 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.6 | 178.1 | -70.6 | 170.1 | -158 | 0 | 0 | 109.9 | G522 E523 G524 N537 E563 | G522-E543 PolarHBondContact O-N 2.89Å; E523-E543 CarbonylContact C-O 3.53Å; E523-E543 WeakPolarHBondContact CA-O 3.38Å; G524-E543 WeakPolarHBondContact CA-O 3.29Å; G524-E543 PolarHBondContact N-O 2.9Å; N537-E543 PolarHBondContact ND2-N 2.86Å; N537-E543 PolarHBondContact ND2-O 2.85Å; E543-E563 CarbonylContact C-O 3.58Å; E543-E563 WeakPolarHBondContact CA-O 3.43Å; E543-E563 HydrophobicContact CG-CB 4.32Å |
| 544 | G | 65.9 | Low | 69.5 | Low | 31 Ų | 31 | 46 Ų | 46 | 32% | 0.32 | 24% | 0.242 | S | C | . | . | trans | 84.1 | 29 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | Q546 E563 G564 | G544-Q546 PolarHBondContact O-N 2.95Å; G544-E563 PolarHBondContact N-O 2.86Å; G544-G564 CarbonylContact C-O 3.52Å; G544-G564 WeakPolarHBondContact CA-O 3.28Å; G544-G564 PolarHBondContact N-O 3.12Å | ||
| 545 | A | 70.7 | Confident | 69.9 | Low | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -74.2 | 122.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A535 A555 G564 V565 Q566 | A535-A545 HydrophobicContact CB-CB 4.48Å; A545-A555 HydrophobicContact CB-CB 3.97Å; A545-A555 WeakPolarHBondContact O-CB 3.44Å; A545-G564 PolarHBondContact N-O 2.95Å; A545-V565 WeakPolarHBondContact O-CA 3.29Å; A545-Q566 PolarHBondContact O-N 3.28Å | ||
| 546 | Q | 71.7 | Confident | 70 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.7 | -173.3 | -68.5 | -174.2 | -37.7 | 0 | 0 | 113.6 | P525 Q526 N527 G544 Q566 | P525-Q546 PolarHBondContact O-N 2.9Å; P525-Q546 VanDerWaalsContact O-N 3.08Å; Q526-Q546 WeakPolarHBondContact CA-O 3.31Å; Q526-Q546 HydrophobicContact CG-CB 4.09Å; N527-Q546 PolarHBondContact N-O 2.95Å; G544-Q546 PolarHBondContact O-N 2.95Å; Q546-Q566 WeakPolarHBondContact CA-O 3.47Å; Q546-Q566 HydrophobicContact CG-CB 4.25Å |
| 547 | N | 71 | Confident | 70 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127 | 169.6 | -164.3 | 3.7 | 0 | 0 | 0 | 111 | N527 E553 Q566 S567 Q568 | N527-N547 CarbonylContact O-C 3.59Å; N527-N547 WeakPolarHBondContact O-CA 3.44Å; N527-N547 PolarHBondContact O-OD1 3.46Å; N547-E553 PolarHBondContact ND2-O 3.17Å; N547-Q566 PolarHBondContact N-O 2.88Å; N547-S567 CarbonylContact O-C 3.57Å; N547-S567 VanDerWaalsContact O-CA 3.3Å; N547-S567 WeakPolarHBondContact O-CA 3.27Å; N547-Q568 PolarHBondContact O-N 2.93Å |
| 548 | Q | 70.6 | Confident | 70 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.7 | 179.3 | -60.1 | 178.7 | -2.5 | 0 | 0 | 110.7 | N527 Q528 A529 Q568 | N527-Q548 PolarHBondContact O-N 3.19Å; Q528-Q548 WeakPolarHBondContact CA-O 3.32Å; Q528-Q548 HydrophobicContact CG-CB 4.2Å; A529-Q548 PolarHBondContact N-O 3.01Å; Q548-Q568 WeakPolarHBondContact CA-O 3.27Å; Q548-Q568 HydrophobicContact CG-CB 4.31Å |
| 549 | G | 70.6 | Confident | 70 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -172.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | A529 Q568 S569 | A529-G549 WeakPolarHBondContact O-CA 3.33Å; G549-Q568 PolarHBondContact N-O 2.82Å; G549-S569 VanDerWaalsContact O-CA 3.32Å; G549-S569 WeakPolarHBondContact O-CA 3.44Å |
| 550 | K | 72.9 | Confident | 70.1 | Confident | 115 Ų | 115 | 49.9 Ų | 49.9 | 50% | 0.5 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -41.5 | 168.6 | -66 | -171.7 | 179 | -171.2 | 0 | 110.8 | K530 K570 K571 | K530-K550 WeakPolarHBondContact O-CB 3.39Å; K530-K550 PolarHBondContact O-N 2.96Å; K530-K550 VanDerWaalsContact O-N 3.15Å; K550-K570 WeakPolarHBondContact O-CB 2.99Å; K550-K570 PolarHBondContact O-N 3.5Å; K550-K571 PolarHBondContact O-N 2.9Å; K550-K571 VanDerWaalsContact O-N 3.08Å |
| 551 | K | 70.5 | Confident | 70 | Confident | 126 Ų | 126 | 48.1 Ų | 48.1 | 55% | 0.548 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.8 | 172.9 | -67.7 | -174.3 | 179.2 | -175.9 | 0 | 108.8 | K530 K531 G532 K571 | K530-K551 PolarHBondContact O-N 3.49Å; K531-K551 CarbonylContact C-O 3.59Å; K531-K551 VanDerWaalsContact CA-O 3.27Å; K531-K551 WeakPolarHBondContact CA-O 3.39Å; K531-K551 HydrophobicContact CG-CB 4.28Å; G532-K551 PolarHBondContact N-O 3.4Å; K551-K571 VanDerWaalsContact CA-O 3.25Å; K551-K571 WeakPolarHBondContact CA-O 2.93Å |
| 552 | G | 63.7 | Low | 69.8 | Low | 7 Ų | 7 | 43.5 Ų | 43.5 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 134.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G532 K571 G572 E573 | G532-G552 CarbonylContact O-C 3.58Å; G532-G552 VanDerWaalsContact O-CA 3.22Å; G532-G552 WeakPolarHBondContact O-CA 3.39Å; G552-K571 PolarHBondContact N-O 2.93Å; G552-K571 VanDerWaalsContact N-O 3.16Å; G552-G572 CarbonylContact O-C 3.59Å; G552-G572 WeakPolarHBondContact O-CA 3.31Å; G552-E573 PolarHBondContact O-N 2.91Å |
| 553 | E | 67.2 | Low | 70.1 | Confident | 84 Ų | 84 | 45.1 Ų | 45.1 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -93.3 | 140.4 | 161 | -71.3 | 169.9 | -153.2 | 0 | 0 | 109.2 | G532 E533 G534 N547 | G532-E553 PolarHBondContact O-N 3.05Å; E533-E553 HydrophobicContact CG-CB 4.33Å; E533-E553 HydrophobicContact CG-CG 4.47Å; G534-E553 WeakPolarHBondContact CA-O 3.38Å; G534-E553 PolarHBondContact N-O 2.79Å; N547-E553 PolarHBondContact ND2-O 3.17Å |
| 554 | G | 65.5 | Low | 69.9 | Low | 14 Ų | 14 | 42.2 Ų | 42.2 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 166.9 | -156.1 | 0 | 0 | 0 | 0 | 0 | 117 | G534 E573 G574 | G534-G554 WeakPolarHBondContact CA-O 3.48Å; G554-E573 WeakPolarHBondContact CA-O 3.32Å; G554-E573 PolarHBondContact N-O 2.98Å; G554-G574 VanDerWaalsContact CA-O 3.31Å; G554-G574 WeakPolarHBondContact CA-O 3.41Å |
| 555 | A | 72.7 | Confident | 70 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 149.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A535 A545 V565 T575 Q576 | A535-A555 HydrophobicContact CB-CB 4.48Å; A535-A555 CarbonylContact O-C 3.57Å; A535-A555 WeakPolarHBondContact O-CA 3.4Å; A545-A555 HydrophobicContact CB-CB 3.97Å; A545-A555 WeakPolarHBondContact O-CB 3.44Å; A555-V565 VanDerWaalsContact C-CG1 3.48Å; A555-V565 HydrophobicContact CB-CG1 3.66Å; A555-V565 WeakPolarHBondContact O-CG1 3.35Å; A555-T575 WeakPolarHBondContact O-CA 3.34Å; A555-Q576 PolarHBondContact O-N 3.07Å |
| 556 | Q | 74 | Confident | 70 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 23% | 0.229 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.2 | 179 | -53.4 | -175.1 | -49.7 | 0 | 0 | 112.1 | A535 Q536 N537 Q576 | A535-Q556 PolarHBondContact O-N 3.11Å; Q536-Q556 WeakPolarHBondContact CA-O 3.19Å; Q536-Q556 HydrophobicContact CG-CB 4.29Å; N537-Q556 PolarHBondContact N-O 3.08Å; Q556-Q576 CarbonylContact C-O 3.6Å; Q556-Q576 VanDerWaalsContact CA-O 3.27Å; Q556-Q576 WeakPolarHBondContact CA-O 3.31Å; Q556-Q576 HydrophobicContact CB-CB 4.46Å; Q556-Q576 HydrophobicContact CG-CB 4.01Å |
| 557 | N | 72.9 | Confident | 69.9 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.1 | 171.8 | -167.9 | 2.9 | 0 | 0 | 0 | 109.9 | N537 G542 A562 E563 V565 Q576 N577 Q578 | N537-N557 CarbonylContact O-C 3.6Å; N537-N557 VanDerWaalsContact O-CA 3.31Å; N537-N557 WeakPolarHBondContact O-CA 2.89Å; N537-N557 PolarHBondContact O-OD1 3.32Å; G542-N557 PolarHBondContact O-ND2 2.9Å; N557-A562 HydrophobicContact CB-CB 4.39Å; N557-E563 PolarHBondContact ND2-N 3.22Å; N557-E563 PolarHBondContact ND2-O 2.99Å; N557-E563 VanDerWaalsContact ND2-O 3.1Å; N557-V565 HydrophobicContact CB-CG2 3.33Å; N557-Q576 PolarHBondContact N-O 2.92Å; N557-N577 WeakPolarHBondContact O-CA 3.37Å; N557-N577 PolarHBondContact O-OD1 3.5Å; N557-Q578 PolarHBondContact O-N 2.9Å |
| 558 | Q | 72.2 | Confident | 70 | Confident | 62 Ų | 62 | 46 Ų | 46 | 29% | 0.29 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127 | -179.3 | -59.8 | -174.4 | 11.3 | 0 | 0 | 110.7 | N537 Q538 G539 Q578 | N537-Q558 PolarHBondContact O-N 2.94Å; Q538-Q558 CarbonylContact C-O 3.42Å; Q538-Q558 WeakPolarHBondContact CA-O 2.89Å; Q538-Q558 HydrophobicContact CG-CB 4.34Å; G539-Q558 PolarHBondContact N-O 3.21Å; Q558-Q578 CarbonylContact C-O 3.54Å; Q558-Q578 WeakPolarHBondContact CA-O 3.31Å; Q558-Q578 HydrophobicContact CG-CB 4.25Å |
| 559 | G | 71.3 | Confident | 69.8 | Low | 16 Ų | 16 | 43.7 Ų | 43.7 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 177 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | G539 K561 Q578 G579 | G539-G559 WeakPolarHBondContact O-CA 3.32Å; G559-K561 VanDerWaalsContact C-N 3.3Å; G559-K561 PolarHBondContact O-N 3.04Å; G559-Q578 PolarHBondContact N-O 2.87Å; G559-G579 WeakPolarHBondContact O-CA 3.43Å |
| 560 | K | 72.7 | Confident | 69.7 | Low | 117 Ų | 117 | 48.3 Ų | 48.3 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | -39.4 | 175.9 | -65.2 | -173.2 | 179.3 | -172.2 | 0 | 111.2 | K540 K580 K581 | K540-K560 WeakPolarHBondContact O-CB 3.23Å; K540-K560 PolarHBondContact O-N 3.39Å; K540-K560 VanDerWaalsContact O-N 3.15Å; K560-K580 WeakPolarHBondContact O-CB 3.4Å; K560-K580 PolarHBondContact O-N 2.95Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K560-K581 PolarHBondContact O-N 2.7Å; K560-K581 VanDerWaalsContact O-N 3.15Å |
| 561 | K | 70.6 | Confident | 69.4 | Low | 73 Ų | 73 | 48.7 Ų | 48.7 | 32% | 0.317 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.4 | 167.9 | -167.2 | -173 | -167.3 | -112.9 | 0 | 107 | K540 K541 G542 G559 E563 K581 | K540-K561 PolarHBondContact O-N 3.14Å; K540-K561 VanDerWaalsContact O-N 3.08Å; K541-K561 VanDerWaalsContact CA-O 3.3Å; K541-K561 WeakPolarHBondContact CA-O 3.23Å; K541-K561 HydrophobicContact CG-CB 4.28Å; G542-K561 PolarHBondContact N-O 3.48Å; G559-K561 VanDerWaalsContact C-N 3.3Å; G559-K561 PolarHBondContact O-N 3.04Å; K561-E563 WeakPolarHBondContact CE-OE1 3.36Å; K561-E563 IonicContact NZ-OE1 2.59Å; K561-E563 PolarHBondContact NZ-OE1 2.88Å; K561-E563 IonicContact NZ-OE2 2.8Å; K561-E563 PolarHBondContact NZ-OE2 3.19Å; K561-K581 WeakPolarHBondContact CA-O 3.28Å |
| 562 | A | 67.6 | Low | 69.1 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 117.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | G542 N557 N577 K581 G582 D583 | G542-A562 WeakPolarHBondContact O-CA 3.39Å; N557-A562 HydrophobicContact CB-CB 4.39Å; A562-N577 WeakPolarHBondContact CB-OD1 3.39Å; A562-N577 PolarHBondContact O-ND2 2.91Å; A562-N577 PolarHBondContact O-OD1 2.91Å; A562-K581 PolarHBondContact N-O 3.25Å; A562-G582 CarbonylContact O-C 3.57Å; A562-G582 WeakPolarHBondContact O-CA 3.48Å; A562-D583 PolarHBondContact O-N 3.05Å |
| 563 | E | 68.3 | Low | 69.2 | Low | 37 Ų | 37 | 47.8 Ų | 47.8 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.1 | -172.3 | -68.2 | 170.6 | 179.8 | 0 | 0 | 111.6 | G542 E543 G544 N557 K561 D583 | G542-E563 PolarHBondContact O-N 3.36Å; E543-E563 CarbonylContact C-O 3.58Å; E543-E563 WeakPolarHBondContact CA-O 3.43Å; E543-E563 HydrophobicContact CG-CB 4.32Å; G544-E563 PolarHBondContact N-O 2.86Å; N557-E563 PolarHBondContact ND2-N 3.22Å; N557-E563 PolarHBondContact ND2-O 2.99Å; N557-E563 VanDerWaalsContact ND2-O 3.1Å; K561-E563 WeakPolarHBondContact CE-OE1 3.36Å; K561-E563 IonicContact NZ-OE1 2.59Å; K561-E563 PolarHBondContact NZ-OE1 2.88Å; K561-E563 IonicContact NZ-OE2 2.8Å; K561-E563 PolarHBondContact NZ-OE2 3.19Å; E563-D583 WeakPolarHBondContact CA-O 3.37Å; E563-D583 HydrophobicContact CG-CB 4.17Å |
| 564 | G | 64.4 | Low | 69 | Low | 25 Ų | 25 | 45.1 Ų | 45.1 | 26% | 0.258 | 23% | 0.23 | S | C | . | . | trans | 69.7 | 57.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G544 A545 D583 G584 | G544-G564 CarbonylContact C-O 3.52Å; G544-G564 WeakPolarHBondContact CA-O 3.28Å; G544-G564 PolarHBondContact N-O 3.12Å; A545-G564 PolarHBondContact N-O 2.95Å; G564-D583 PolarHBondContact N-O 3.11Å; G564-G584 WeakPolarHBondContact CA-O 3.38Å; G564-G584 PolarHBondContact N-O 3.02Å | ||
| 565 | V | 68.9 | Low | 69.3 | Low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -95.8 | 120.7 | 172.5 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | A545 A555 N557 T575 N577 G584 N585 P586 | A545-V565 WeakPolarHBondContact O-CA 3.29Å; A555-V565 VanDerWaalsContact C-CG1 3.48Å; A555-V565 HydrophobicContact CB-CG1 3.66Å; A555-V565 WeakPolarHBondContact O-CG1 3.35Å; N557-V565 HydrophobicContact CB-CG2 3.33Å; V565-T575 HydrophobicContact CG1-CG2 4Å; V565-N577 HydrophobicContact CG2-CB 4.11Å; V565-G584 PolarHBondContact N-O 3.14Å; V565-G584 VanDerWaalsContact N-O 3.1Å; V565-N585 CarbonylContact O-C 3.54Å; V565-N585 WeakPolarHBondContact O-CA 3.39Å; V565-N585 PolarHBondContact O-OD1 3.1Å; V565-P586 VanDerWaalsContact O-CD 3.29Å; V565-P586 WeakPolarHBondContact O-CD 3.47Å | ||
| 566 | Q | 70.5 | Confident | 69.2 | Low | 73 Ų | 73 | 46.8 Ų | 46.8 | 34% | 0.341 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.3 | -176 | -49.3 | -172.3 | -38.5 | 0 | 0 | 112.7 | A545 Q546 N547 P586 | A545-Q566 PolarHBondContact O-N 3.28Å; Q546-Q566 WeakPolarHBondContact CA-O 3.47Å; Q546-Q566 HydrophobicContact CG-CB 4.25Å; N547-Q566 PolarHBondContact N-O 2.88Å; Q566-P586 WeakPolarHBondContact CA-O 3.37Å; Q566-P586 HydrophobicContact CB-CG 4.41Å; Q566-P586 HydrophobicContact CG-CG 3.79Å |
| 567 | S | 70.7 | Confident | 69.1 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.8 | 168.4 | -172.7 | 0 | 0 | 0 | 0 | 110 | N547 T575 P586 N587 Q588 | N547-S567 CarbonylContact O-C 3.57Å; N547-S567 VanDerWaalsContact O-CA 3.3Å; N547-S567 WeakPolarHBondContact O-CA 3.27Å; S567-T575 VanDerWaalsContact CB-CG2 3.4Å; S567-P586 PolarHBondContact N-O 2.92Å; S567-N587 WeakPolarHBondContact O-CA 3.34Å; S567-N587 PolarHBondContact O-OD1 3.29Å; S567-Q588 PolarHBondContact O-N 2.82Å |
| 568 | Q | 71.5 | Confident | 69 | Low | 85 Ų | 85 | 46.6 Ų | 46.6 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 103.6 | 172.7 | -66.6 | -172.3 | -36 | 0 | 0 | 109.4 | N547 Q548 G549 Q588 | N547-Q568 PolarHBondContact O-N 2.93Å; Q548-Q568 WeakPolarHBondContact CA-O 3.27Å; Q548-Q568 HydrophobicContact CG-CB 4.31Å; G549-Q568 PolarHBondContact N-O 2.82Å; Q568-Q588 CarbonylContact C-O 3.52Å; Q568-Q588 WeakPolarHBondContact CA-O 2.98Å; Q568-Q588 HydrophobicContact CG-CB 4.21Å |
| 569 | S | 67.2 | Low | 68.9 | Low | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 146.8 | -177.2 | -76.1 | 0 | 0 | 0 | 0 | 113.4 | G549 K571 Q588 G589 | G549-S569 VanDerWaalsContact O-CA 3.32Å; G549-S569 WeakPolarHBondContact O-CA 3.44Å; S569-K571 VanDerWaalsContact C-N 3.31Å; S569-K571 PolarHBondContact O-N 2.9Å; S569-Q588 PolarHBondContact N-O 3.39Å; S569-G589 WeakPolarHBondContact O-CA 3.29Å |
| 570 | K | 68.6 | Low | 68.8 | Low | 124 Ų | 124 | 48.5 Ų | 48.5 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -39.8 | 174 | -68.5 | -174 | 179.6 | -174.8 | 0 | 111.8 | K550 K590 K591 | K550-K570 WeakPolarHBondContact O-CB 2.99Å; K550-K570 PolarHBondContact O-N 3.5Å; K570-K590 WeakPolarHBondContact O-CB 3.26Å; K570-K590 PolarHBondContact O-N 2.87Å; K570-K591 PolarHBondContact O-N 2.91Å |
| 571 | K | 67.1 | Low | 68.6 | Low | 123 Ų | 123 | 48.8 Ų | 48.8 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 122.6 | 168.8 | -172.4 | -176.9 | -179.2 | -170.1 | 0 | 108.3 | K550 K551 G552 S569 K591 | K550-K571 PolarHBondContact O-N 2.9Å; K550-K571 VanDerWaalsContact O-N 3.08Å; K551-K571 VanDerWaalsContact CA-O 3.25Å; K551-K571 WeakPolarHBondContact CA-O 2.93Å; G552-K571 PolarHBondContact N-O 2.93Å; G552-K571 VanDerWaalsContact N-O 3.16Å; S569-K571 VanDerWaalsContact C-N 3.31Å; S569-K571 PolarHBondContact O-N 2.9Å; K571-K591 VanDerWaalsContact CA-O 3.25Å; K571-K591 WeakPolarHBondContact CA-O 3.34Å |
| 572 | G | 62.9 | Low | 68.3 | Low | 9 Ų | 9 | 45.3 Ų | 45.3 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 158 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | G552 K591 G592 E593 | G552-G572 CarbonylContact O-C 3.59Å; G552-G572 WeakPolarHBondContact O-CA 3.31Å; G572-K591 PolarHBondContact N-O 3.04Å; G572-K591 VanDerWaalsContact N-O 3.12Å; G572-G592 WeakPolarHBondContact O-CA 3.43Å; G572-E593 PolarHBondContact O-N 2.9Å; G572-E593 VanDerWaalsContact O-N 3.08Å |
| 573 | E | 65.6 | Low | 68.2 | Low | 104 Ų | 104 | 47.9 Ų | 47.9 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 155.4 | 175.5 | -69.9 | 176.3 | -160.9 | 0 | 0 | 110.6 | G552 G554 E593 | G552-E573 PolarHBondContact O-N 2.91Å; G554-E573 WeakPolarHBondContact CA-O 3.32Å; G554-E573 PolarHBondContact N-O 2.98Å; E573-E593 CarbonylContact C-O 3.34Å |
| 574 | G | 63.8 | Low | 67.8 | Low | 28 Ų | 28 | 47.2 Ų | 47.2 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 161.7 | -147.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | G554 E593 G594 | G554-G574 VanDerWaalsContact CA-O 3.31Å; G554-G574 WeakPolarHBondContact CA-O 3.41Å; G574-E593 WeakPolarHBondContact CA-O 3.37Å; G574-E593 PolarHBondContact N-O 2.86Å; G574-G594 WeakPolarHBondContact CA-O 3.33Å |
| 575 | T | 71.8 | Confident | 67.9 | Low | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 140.6 | 177 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | A555 V565 S567 N585 G594 A595 S596 | A555-T575 WeakPolarHBondContact O-CA 3.34Å; V565-T575 HydrophobicContact CG1-CG2 4Å; S567-T575 VanDerWaalsContact CB-CG2 3.4Å; T575-N585 WeakPolarHBondContact CB-OD1 3.36Å; T575-N585 PolarHBondContact O-ND2 3.36Å; T575-N585 PolarHBondContact OG1-OD1 2.93Å; T575-G594 PolarHBondContact N-O 2.83Å; T575-A595 WeakPolarHBondContact O-CA 3.29Å; T575-S596 PolarHBondContact O-N 2.83Å |
| 576 | Q | 71.4 | Confident | 67.8 | Low | 49 Ų | 49 | 47.2 Ų | 47.2 | 23% | 0.229 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.7 | -175.7 | -170.4 | 175.4 | -24.5 | 0 | 0 | 112.4 | A555 Q556 N557 Q578 S596 | A555-Q576 PolarHBondContact O-N 3.07Å; Q556-Q576 CarbonylContact C-O 3.6Å; Q556-Q576 VanDerWaalsContact CA-O 3.27Å; Q556-Q576 WeakPolarHBondContact CA-O 3.31Å; Q556-Q576 HydrophobicContact CB-CB 4.46Å; Q556-Q576 HydrophobicContact CG-CB 4.01Å; N557-Q576 PolarHBondContact N-O 2.92Å; Q576-Q578 HydrophobicContact CG-CG 4.09Å; Q576-S596 WeakPolarHBondContact CA-O 3.41Å |
| 577 | N | 71.2 | Confident | 67.6 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.6 | 173.8 | -164.6 | 9.6 | 0 | 0 | 0 | 109.7 | N557 A562 V565 N585 S596 N597 Q598 | N557-N577 WeakPolarHBondContact O-CA 3.37Å; N557-N577 PolarHBondContact O-OD1 3.5Å; A562-N577 WeakPolarHBondContact CB-OD1 3.39Å; A562-N577 PolarHBondContact O-ND2 2.91Å; A562-N577 PolarHBondContact O-OD1 2.91Å; V565-N577 HydrophobicContact CG2-CB 4.11Å; N577-N585 HydrophobicContact CB-CB 4.45Å; N577-S596 PolarHBondContact N-O 2.82Å; N577-N597 WeakPolarHBondContact O-CA 3.35Å; N577-N597 PolarHBondContact O-OD1 2.85Å; N577-N597 VanDerWaalsContact O-OD1 3.08Å; N577-Q598 PolarHBondContact O-N 2.91Å |
| 578 | Q | 71 | Confident | 67.5 | Low | 45 Ų | 45 | 46.9 Ų | 46.9 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 140.5 | -178.9 | -59.8 | -166.5 | -20.7 | 0 | 0 | 113 | N557 Q558 G559 Q576 Q598 N599 | N557-Q578 PolarHBondContact O-N 2.9Å; Q558-Q578 CarbonylContact C-O 3.54Å; Q558-Q578 WeakPolarHBondContact CA-O 3.31Å; Q558-Q578 HydrophobicContact CG-CB 4.25Å; G559-Q578 PolarHBondContact N-O 2.87Å; Q576-Q578 HydrophobicContact CG-CG 4.09Å; Q578-Q598 HydrophobicContact CG-CB 4.13Å; Q578-Q598 VanDerWaalsContact NE2-OE1 3.08Å; Q578-N599 WeakPolarHBondContact CA-OD1 3.4Å |
| 579 | G | 70.7 | Confident | 67.2 | Low | 24 Ų | 24 | 43.7 Ų | 43.7 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -166.6 | -171 | 0 | 0 | 0 | 0 | 0 | 118.3 | G559 Q598 N599 | G559-G579 WeakPolarHBondContact O-CA 3.43Å; G579-Q598 PolarHBondContact N-O 3.46Å; G579-N599 VanDerWaalsContact CA-OD1 3.26Å; G579-N599 WeakPolarHBondContact CA-OD1 3.38Å; G579-N599 PolarHBondContact N-OD1 2.86Å; G579-N599 VanDerWaalsContact O-CA 3.31Å; G579-N599 WeakPolarHBondContact O-CA 3.34Å |
| 580 | K | 68.5 | Low | 67.1 | Low | 93 Ų | 93 | 49.6 Ų | 49.6 | 40% | 0.404 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -39.2 | 173.8 | -63.2 | -173.1 | 176.3 | -171.5 | 0 | 111.6 | K560 R600 K601 | K560-K580 WeakPolarHBondContact O-CB 3.4Å; K560-K580 PolarHBondContact O-N 2.95Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K580-R600 VanDerWaalsContact O-CB 3.27Å; K580-R600 WeakPolarHBondContact O-CB 3.39Å; K580-R600 PolarHBondContact O-N 2.84Å; K580-R600 VanDerWaalsContact O-N 3.12Å; K580-K601 PolarHBondContact O-N 3.36Å |
| 581 | K | 68.3 | Low | 66.8 | Low | 123 Ų | 123 | 49.3 Ų | 49.3 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.6 | 174.4 | -66.3 | -172.5 | 178.7 | -171.4 | 0 | 108.4 | K560 K561 A562 K601 | K560-K581 PolarHBondContact O-N 2.7Å; K560-K581 VanDerWaalsContact O-N 3.15Å; K561-K581 WeakPolarHBondContact CA-O 3.28Å; A562-K581 PolarHBondContact N-O 3.25Å; K581-K601 WeakPolarHBondContact CA-O 3.38Å |
| 582 | G | 64.7 | Low | 66.6 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 147.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.3 | A562 N599 K601 T602 | A562-G582 CarbonylContact O-C 3.57Å; A562-G582 WeakPolarHBondContact O-CA 3.48Å; G582-N599 WeakPolarHBondContact CA-ND2 3.42Å; G582-N599 PolarHBondContact N-ND2 3.19Å; G582-N599 VanDerWaalsContact N-ND2 3.19Å; G582-N599 PolarHBondContact O-ND2 3.21Å; G582-K601 PolarHBondContact N-O 3.16Å; G582-T602 VanDerWaalsContact O-CA 3.29Å; G582-T602 WeakPolarHBondContact O-CA 3.38Å |
| 583 | D | 64.6 | Low | 66.5 | Low | 54 Ų | 54 | 47.6 Ų | 47.6 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.9 | -167.3 | -52.3 | -31.1 | 0 | 0 | 0 | 110.4 | A562 E563 G564 D603 | A562-D583 PolarHBondContact O-N 3.05Å; E563-D583 WeakPolarHBondContact CA-O 3.37Å; E563-D583 HydrophobicContact CG-CB 4.17Å; G564-D583 PolarHBondContact N-O 3.11Å; D583-D603 WeakPolarHBondContact CA-O 3.28Å; D583-D603 HydrophobicContact CB-CB 4.41Å; D583-D603 PolarHBondContact OD1-N 2.88Å |
| 584 | G | 61.5 | Low | 66.3 | Low | 23 Ų | 23 | 43.9 Ų | 43.9 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | trans | 64.8 | 96.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G564 V565 D603 T604 | G564-G584 WeakPolarHBondContact CA-O 3.38Å; G564-G584 PolarHBondContact N-O 3.02Å; V565-G584 PolarHBondContact N-O 3.14Å; V565-G584 VanDerWaalsContact N-O 3.1Å; G584-D603 PolarHBondContact N-O 3.15Å; G584-T604 WeakPolarHBondContact CA-O 3.27Å; G584-T604 PolarHBondContact N-O 2.83Å | ||
| 585 | N | 66.3 | Low | 66.5 | Low | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -124.3 | 63.2 | 170.7 | -168.7 | 8.4 | 0 | 0 | 0 | 113.1 | V565 T575 N577 S596 V605 | V565-N585 CarbonylContact O-C 3.54Å; V565-N585 WeakPolarHBondContact O-CA 3.39Å; V565-N585 PolarHBondContact O-OD1 3.1Å; T575-N585 WeakPolarHBondContact CB-OD1 3.36Å; T575-N585 PolarHBondContact O-ND2 3.36Å; T575-N585 PolarHBondContact OG1-OD1 2.93Å; N577-N585 HydrophobicContact CB-CB 4.45Å; N585-S596 PolarHBondContact ND2-O 3.44Å; N585-V605 HydrophobicContact CB-CG1 4.25Å; N585-V605 HydrophobicContact CB-CG2 4.42Å | ||
| 586 | P | 66.5 | Low | 66.3 | Low | 25 Ų | 25 | 44 Ų | 44 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | trans | -82.1 | 133.7 | -177 | 30.4 | -34.6 | 0 | 0 | 0 | 114.8 | V565 Q566 S567 A606 | V565-P586 VanDerWaalsContact O-CD 3.29Å; V565-P586 WeakPolarHBondContact O-CD 3.47Å; Q566-P586 WeakPolarHBondContact CA-O 3.37Å; Q566-P586 HydrophobicContact CB-CG 4.41Å; Q566-P586 HydrophobicContact CG-CG 3.79Å; S567-P586 PolarHBondContact N-O 2.92Å; P586-A606 WeakPolarHBondContact CA-O 3.33Å | ||
| 587 | N | 66.8 | Low | 66 | Low | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.6 | 169.5 | -170.3 | 7.4 | 0 | 0 | 0 | 109.8 | S567 G594 A606 N607 Q608 | S567-N587 WeakPolarHBondContact O-CA 3.34Å; S567-N587 PolarHBondContact O-OD1 3.29Å; N587-G594 PolarHBondContact ND2-O 3.32Å; N587-A606 PolarHBondContact N-O 2.9Å; N587-A606 VanDerWaalsContact N-O 3.15Å; N587-N607 VanDerWaalsContact CB-OD1 3.29Å; N587-N607 WeakPolarHBondContact CB-OD1 3.08Å; N587-N607 PolarHBondContact N-OD1 2.9Å; N587-N607 WeakPolarHBondContact O-CA 2.92Å; N587-Q608 PolarHBondContact O-N 2.9Å; N587-Q608 VanDerWaalsContact O-N 3.1Å |
| 588 | Q | 67.5 | Low | 65.9 | Low | 66 Ų | 66 | 45.3 Ų | 45.3 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.7 | -177.6 | -55.9 | -178.6 | -10.3 | 0 | 0 | 111.7 | S567 Q568 S569 Q608 | S567-Q588 PolarHBondContact O-N 2.82Å; Q568-Q588 CarbonylContact C-O 3.52Å; Q568-Q588 WeakPolarHBondContact CA-O 2.98Å; Q568-Q588 HydrophobicContact CG-CB 4.21Å; S569-Q588 PolarHBondContact N-O 3.39Å; Q588-Q608 VanDerWaalsContact CA-O 3.31Å; Q588-Q608 WeakPolarHBondContact CA-O 3.36Å; Q588-Q608 HydrophobicContact CG-CB 4.27Å |
| 589 | G | 65.7 | Low | 65.8 | Low | 17 Ų | 17 | 43.4 Ų | 43.4 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | 168.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | S569 Q608 G609 T610 Q612 | S569-G589 WeakPolarHBondContact O-CA 3.29Å; G589-Q608 PolarHBondContact N-O 2.87Å; G589-G609 CarbonylContact O-C 3.58Å; G589-G609 WeakPolarHBondContact O-CA 3.41Å; G589-T610 PolarHBondContact O-N 3.48Å; G589-Q612 PolarHBondContact O-NE2 2.86Å |
| 590 | K | 64.2 | Low | 65.5 | Low | 131 Ų | 131 | 48.4 Ų | 48.4 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -39.8 | 173.9 | -70.6 | -168.6 | 177 | -167.5 | 0 | 111.5 | K570 T610 K611 | K570-K590 WeakPolarHBondContact O-CB 3.26Å; K570-K590 PolarHBondContact O-N 2.87Å; K590-T610 VanDerWaalsContact O-CB 3.3Å; K590-T610 WeakPolarHBondContact O-CB 3.4Å; K590-T610 PolarHBondContact O-N 2.81Å; K590-K611 PolarHBondContact O-N 2.96Å |
| 591 | K | 63.1 | Low | 65.2 | Low | 118 Ų | 118 | 49.6 Ų | 49.6 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 114.7 | 172.7 | -66.5 | -172.7 | 179.8 | -174.4 | 0 | 108.6 | K570 K571 G572 K611 | K570-K591 PolarHBondContact O-N 2.91Å; K571-K591 VanDerWaalsContact CA-O 3.25Å; K571-K591 WeakPolarHBondContact CA-O 3.34Å; G572-K591 PolarHBondContact N-O 3.04Å; G572-K591 VanDerWaalsContact N-O 3.12Å; K591-K611 WeakPolarHBondContact CA-O 3.27Å; K591-K611 HydrophobicContact CG-CB 4.37Å |
| 592 | G | 61.9 | Low | 64.9 | Low | 5 Ų | 5 | 43.8 Ų | 43.8 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G572 K611 Q612 E613 | G572-G592 WeakPolarHBondContact O-CA 3.43Å; G592-K611 PolarHBondContact N-O 3.5Å; G592-K611 VanDerWaalsContact N-O 3.1Å; G592-Q612 WeakPolarHBondContact O-CA 3.28Å; G592-Q612 PolarHBondContact O-OE1 2.9Å; G592-E613 PolarHBondContact O-N 3.32Å |
| 593 | E | 62.3 | Low | 64.7 | Low | 92 Ų | 92 | 47 Ų | 47 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.1 | 170.5 | -74.5 | 167 | -146.8 | 0 | 0 | 108.3 | G572 E573 G574 E613 | G572-E593 PolarHBondContact O-N 2.9Å; G572-E593 VanDerWaalsContact O-N 3.08Å; E573-E593 CarbonylContact C-O 3.34Å; G574-E593 WeakPolarHBondContact CA-O 3.37Å; G574-E593 PolarHBondContact N-O 2.86Å; E593-E613 HydrophobicContact CG-CB 4.2Å |
| 594 | G | 61.5 | Low | 64.4 | Low | 26 Ų | 26 | 48.1 Ų | 48.1 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.2 | 126.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | G574 T575 N587 E613 G614 | G574-G594 WeakPolarHBondContact CA-O 3.33Å; T575-G594 PolarHBondContact N-O 2.83Å; N587-G594 PolarHBondContact ND2-O 3.32Å; G594-E613 PolarHBondContact N-O 2.89Å; G594-G614 CarbonylContact C-O 3.6Å; G594-G614 WeakPolarHBondContact CA-O 3.27Å |
| 595 | A | 66.6 | Low | 64.3 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | T575 V605 N607 G614 V615 S616 | T575-A595 WeakPolarHBondContact O-CA 3.29Å; A595-V605 HydrophobicContact CB-CG1 3.96Å; A595-N607 VanDerWaalsContact CB-OD1 3.29Å; A595-N607 WeakPolarHBondContact CB-OD1 3.35Å; A595-G614 PolarHBondContact N-O 3.47Å; A595-G614 VanDerWaalsContact N-O 3.11Å; A595-V615 HydrophobicContact CB-CG2 4.5Å; A595-V615 CarbonylContact O-C 3.55Å; A595-V615 WeakPolarHBondContact O-CA 2.93Å; A595-S616 PolarHBondContact O-N 2.84Å |
| 596 | S | 67.6 | Low | 64.1 | Low | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.3 | -175.9 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | T575 Q576 N577 N585 S616 | T575-S596 PolarHBondContact O-N 2.83Å; Q576-S596 WeakPolarHBondContact CA-O 3.41Å; N577-S596 PolarHBondContact N-O 2.82Å; N585-S596 PolarHBondContact ND2-O 3.44Å; S596-S616 WeakPolarHBondContact CA-O 3.38Å |
| 597 | N | 65.7 | Low | 63.9 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 112.8 | 175.5 | -155 | -17.4 | 0 | 0 | 0 | 111.4 | N577 N599 T602 V605 S616 N617 Q618 | N577-N597 WeakPolarHBondContact O-CA 3.35Å; N577-N597 PolarHBondContact O-OD1 2.85Å; N577-N597 VanDerWaalsContact O-OD1 3.08Å; N597-N599 PolarHBondContact OD1-ND2 3.16Å; N597-N599 PolarHBondContact OD1-OD1 3.39Å; N597-T602 WeakPolarHBondContact ND2-CG2 2.91Å; N597-T602 PolarHBondContact ND2-OG1 3.03Å; N597-V605 HydrophobicContact CB-CG2 4.04Å; N597-S616 PolarHBondContact N-O 3.39Å; N597-N617 VanDerWaalsContact CB-OD1 3.23Å; N597-N617 WeakPolarHBondContact CB-OD1 3.34Å; N597-N617 WeakPolarHBondContact O-CA 3.38Å; N597-Q618 PolarHBondContact O-N 2.88Å; N597-Q618 VanDerWaalsContact O-N 3.16Å |
| 598 | Q | 70.1 | Confident | 63.7 | Low | 77 Ų | 77 | 50.4 Ų | 50.4 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 69 | 177.2 | -64.7 | -176 | -7.4 | 0 | 0 | 110.2 | N577 Q578 G579 Q618 | N577-Q598 PolarHBondContact O-N 2.91Å; Q578-Q598 HydrophobicContact CG-CB 4.13Å; Q578-Q598 VanDerWaalsContact NE2-OE1 3.08Å; G579-Q598 PolarHBondContact N-O 3.46Å; Q598-Q618 HydrophobicContact CG-CB 4.35Å |
| 599 | N | 67.5 | Low | 63.4 | Low | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | trans | -112.8 | 162.6 | 179.3 | -71.8 | -13.9 | 0 | 0 | 0 | 111.6 | Q578 G579 G582 N597 T602 V619 | Q578-N599 WeakPolarHBondContact CA-OD1 3.4Å; G579-N599 VanDerWaalsContact CA-OD1 3.26Å; G579-N599 WeakPolarHBondContact CA-OD1 3.38Å; G579-N599 PolarHBondContact N-OD1 2.86Å; G579-N599 VanDerWaalsContact O-CA 3.31Å; G579-N599 WeakPolarHBondContact O-CA 3.34Å; G582-N599 WeakPolarHBondContact CA-ND2 3.42Å; G582-N599 PolarHBondContact N-ND2 3.19Å; G582-N599 VanDerWaalsContact N-ND2 3.19Å; G582-N599 PolarHBondContact O-ND2 3.21Å; N597-N599 PolarHBondContact OD1-ND2 3.16Å; N597-N599 PolarHBondContact OD1-OD1 3.39Å; N599-T602 VanDerWaalsContact CB-OG1 3.28Å; N599-T602 WeakPolarHBondContact CB-OG1 3.27Å; N599-V619 HydrophobicContact CB-CG1 4.34Å; N599-V619 VanDerWaalsContact O-CA 3.26Å; N599-V619 WeakPolarHBondContact O-CA 3.41Å; N599-V619 WeakPolarHBondContact O-CG1 3.4Å | ||
| 600 | R | 64.3 | Low | 63.3 | Low | 128 Ų | 128 | 50 Ų | 50 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -79 | -32.4 | 171.5 | -58.6 | 175.3 | -174 | 166.1 | -2.3 | 112 | K580 K620 K621 | K580-R600 VanDerWaalsContact O-CB 3.27Å; K580-R600 WeakPolarHBondContact O-CB 3.39Å; K580-R600 PolarHBondContact O-N 2.84Å; K580-R600 VanDerWaalsContact O-N 3.12Å; R600-K620 WeakPolarHBondContact O-CB 3.44Å; R600-K620 PolarHBondContact O-N 2.93Å; R600-K621 PolarHBondContact O-N 2.8Å |
| 601 | K | 63.8 | Low | 63.2 | Low | 118 Ų | 118 | 49.2 Ų | 49.2 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.6 | 175.2 | -63.1 | -173.6 | 177.7 | -169 | 0 | 108.2 | K580 K581 G582 | K580-K601 PolarHBondContact O-N 3.36Å; K581-K601 WeakPolarHBondContact CA-O 3.38Å; G582-K601 PolarHBondContact N-O 3.16Å |
| 602 | T | 62 | Low | 63.1 | Low | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 133.3 | -178.2 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | G582 N597 N599 V605 V619 K621 S622 E623 | G582-T602 VanDerWaalsContact O-CA 3.29Å; G582-T602 WeakPolarHBondContact O-CA 3.38Å; N597-T602 WeakPolarHBondContact ND2-CG2 2.91Å; N597-T602 PolarHBondContact ND2-OG1 3.03Å; N599-T602 VanDerWaalsContact CB-OG1 3.28Å; N599-T602 WeakPolarHBondContact CB-OG1 3.27Å; T602-V605 HydrophobicContact CG2-CG2 3.83Å; T602-V619 VanDerWaalsContact OG1-CG1 3.29Å; T602-V619 WeakPolarHBondContact OG1-CG1 3.31Å; T602-K621 PolarHBondContact N-O 3.26Å; T602-S622 WeakPolarHBondContact O-CA 3.39Å; T602-E623 PolarHBondContact O-N 2.96Å |
| 603 | D | 60.3 | Low | 63.1 | Low | 68 Ų | 68 | 48.1 Ų | 48.1 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.9 | 168.7 | -55.3 | -19.2 | 0 | 0 | 0 | 109 | D583 G584 | D583-D603 WeakPolarHBondContact CA-O 3.28Å; D583-D603 HydrophobicContact CB-CB 4.41Å; D583-D603 PolarHBondContact OD1-N 2.88Å; G584-D603 PolarHBondContact N-O 3.15Å |
| 604 | T | 57.7 | Low | 62.8 | Low | 77 Ų | 77 | 44.4 Ų | 44.4 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | trans | 57.7 | 116.5 | 171.8 | -52.2 | 0 | 0 | 0 | 0 | 117.6 | G584 E623 G624 | G584-T604 WeakPolarHBondContact CA-O 3.27Å; G584-T604 PolarHBondContact N-O 2.83Å; T604-E623 PolarHBondContact N-O 2.89Å; T604-E623 VanDerWaalsContact N-O 3.07Å; T604-G624 WeakPolarHBondContact CA-O 3.36Å | ||
| 605 | V | 60 | Low | 62.7 | Low | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -126.4 | 119.3 | 165.5 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | N585 A595 N597 T602 V615 G624 S625 P626 | N585-V605 HydrophobicContact CB-CG1 4.25Å; N585-V605 HydrophobicContact CB-CG2 4.42Å; A595-V605 HydrophobicContact CB-CG1 3.96Å; N597-V605 HydrophobicContact CB-CG2 4.04Å; T602-V605 HydrophobicContact CG2-CG2 3.83Å; V605-V615 HydrophobicContact CB-CG1 4.08Å; V605-V615 HydrophobicContact CG1-CG1 3.41Å; V605-V615 VanDerWaalsContact CG1-CG1 3.41Å; V605-G624 PolarHBondContact N-O 3.36Å; V605-S625 CarbonylContact O-C 3.58Å; V605-S625 WeakPolarHBondContact O-CA 3.17Å; V605-P626 WeakPolarHBondContact O-CD 3.43Å | ||
| 606 | A | 62.1 | Low | 62.4 | Low | 12 Ų | 12 | 45.2 Ų | 45.2 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | trans | -130 | 122.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P586 N587 P626 | P586-A606 WeakPolarHBondContact CA-O 3.33Å; N587-A606 PolarHBondContact N-O 2.9Å; N587-A606 VanDerWaalsContact N-O 3.15Å; A606-P626 WeakPolarHBondContact CA-O 3.29Å; A606-P626 HydrophobicContact CB-CG 4.04Å | ||
| 607 | N | 61.6 | Low | 61.9 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.2 | 167.6 | -76 | 0.2 | 0 | 0 | 0 | 109.5 | N587 A595 Q612 V615 P626 N627 Q628 | N587-N607 VanDerWaalsContact CB-OD1 3.29Å; N587-N607 WeakPolarHBondContact CB-OD1 3.08Å; N587-N607 PolarHBondContact N-OD1 2.9Å; N587-N607 WeakPolarHBondContact O-CA 2.92Å; A595-N607 VanDerWaalsContact CB-OD1 3.29Å; A595-N607 WeakPolarHBondContact CB-OD1 3.35Å; N607-Q612 HydrophobicContact CB-CG 4.32Å; N607-V615 HydrophobicContact CB-CG2 4.06Å; N607-V615 WeakPolarHBondContact ND2-CG2 3.04Å; N607-P626 PolarHBondContact N-O 3.29Å; N607-N627 WeakPolarHBondContact O-CA 3.37Å; N607-N627 PolarHBondContact O-OD1 3.42Å; N607-Q628 PolarHBondContact O-N 3.16Å |
| 608 | Q | 62.6 | Low | 61.7 | Low | 86 Ų | 86 | 48.5 Ų | 48.5 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.1 | 177.4 | -61 | -175.2 | 26.4 | 0 | 0 | 110.2 | N587 Q588 G589 Q612 Q628 | N587-Q608 PolarHBondContact O-N 2.9Å; N587-Q608 VanDerWaalsContact O-N 3.1Å; Q588-Q608 VanDerWaalsContact CA-O 3.31Å; Q588-Q608 WeakPolarHBondContact CA-O 3.36Å; Q588-Q608 HydrophobicContact CG-CB 4.27Å; G589-Q608 PolarHBondContact N-O 2.87Å; Q608-Q612 PolarHBondContact O-NE2 2.93Å; Q608-Q612 VanDerWaalsContact O-NE2 3.1Å; Q608-Q628 WeakPolarHBondContact CA-O 3.29Å; Q608-Q628 HydrophobicContact CG-CB 4.39Å |
| 609 | G | 62 | Low | 61.2 | Low | 20 Ų | 20 | 45.1 Ų | 45.1 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | 177.7 | -178 | 0 | 0 | 0 | 0 | 0 | 117.5 | G589 Q628 G629 | G589-G609 CarbonylContact O-C 3.58Å; G589-G609 WeakPolarHBondContact O-CA 3.41Å; G609-Q628 PolarHBondContact N-O 2.92Å; G609-G629 WeakPolarHBondContact O-CA 3.37Å |
| 610 | T | 62.3 | Low | 60.8 | Low | 55 Ų | 55 | 50.7 Ų | 50.7 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -40.8 | 178.6 | -42.1 | 0 | 0 | 0 | 0 | 111.8 | G589 K590 K630 K631 | G589-T610 PolarHBondContact O-N 3.48Å; K590-T610 VanDerWaalsContact O-CB 3.3Å; K590-T610 WeakPolarHBondContact O-CB 3.4Å; K590-T610 PolarHBondContact O-N 2.81Å; T610-K630 HydrophobicContact CG2-CB 4.13Å; T610-K630 HydrophobicContact CG2-CD 3.7Å; T610-K630 HydrophobicContact CG2-CG 3.9Å; T610-K630 WeakPolarHBondContact O-CA 3.45Å; T610-K630 WeakPolarHBondContact O-CB 2.99Å; T610-K630 PolarHBondContact O-N 2.88Å; T610-K631 PolarHBondContact O-N 3.28Å; T610-K631 VanDerWaalsContact O-N 3.11Å |
| 611 | K | 62.8 | Low | 60.5 | Low | 113 Ų | 113 | 49.2 Ų | 49.2 | 49% | 0.491 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123 | 172.4 | -61.1 | -172 | 178.2 | -167 | 0 | 108.8 | K590 K591 G592 K631 | K590-K611 PolarHBondContact O-N 2.96Å; K591-K611 WeakPolarHBondContact CA-O 3.27Å; K591-K611 HydrophobicContact CG-CB 4.37Å; G592-K611 PolarHBondContact N-O 3.5Å; G592-K611 VanDerWaalsContact N-O 3.1Å; K611-K631 WeakPolarHBondContact CA-O 3.37Å |
| 612 | Q | 60.2 | Low | 60.3 | Low | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.4 | -179.3 | -69 | -68.1 | -18.4 | 0 | 0 | 109.8 | G589 G592 N607 Q608 N627 K631 A632 E633 | G589-Q612 PolarHBondContact O-NE2 2.86Å; G592-Q612 WeakPolarHBondContact O-CA 3.28Å; G592-Q612 PolarHBondContact O-OE1 2.9Å; N607-Q612 HydrophobicContact CB-CG 4.32Å; Q608-Q612 PolarHBondContact O-NE2 2.93Å; Q608-Q612 VanDerWaalsContact O-NE2 3.1Å; Q612-N627 WeakPolarHBondContact CB-OD1 3.28Å; Q612-K631 PolarHBondContact N-O 2.87Å; Q612-K631 VanDerWaalsContact N-O 3.12Å; Q612-A632 WeakPolarHBondContact O-CA 3.31Å; Q612-E633 PolarHBondContact O-N 3.31Å |
| 613 | E | 61.4 | Low | 60 | Low | 98 Ų | 98 | 47.7 Ų | 47.7 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.5 | 174 | -71.9 | 174.6 | -160.2 | 0 | 0 | 109.1 | G592 E593 G594 | G592-E613 PolarHBondContact O-N 3.32Å; E593-E613 HydrophobicContact CG-CB 4.2Å; G594-E613 PolarHBondContact N-O 2.89Å |
| 614 | G | 57.5 | Low | 59.6 | Low | 14 Ų | 14 | 45.3 Ų | 45.3 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.2 | 117.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | G594 A595 E633 A635 | G594-G614 CarbonylContact C-O 3.6Å; G594-G614 WeakPolarHBondContact CA-O 3.27Å; A595-G614 PolarHBondContact N-O 3.47Å; A595-G614 VanDerWaalsContact N-O 3.11Å; G614-E633 PolarHBondContact N-O 2.92Å; G614-A635 VanDerWaalsContact CA-CB 3.43Å |
| 615 | V | 58.8 | Low | 59.5 | Low | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.9 | 155.9 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | A595 V605 N607 A635 | A595-V615 HydrophobicContact CB-CG2 4.5Å; A595-V615 CarbonylContact O-C 3.55Å; A595-V615 WeakPolarHBondContact O-CA 2.93Å; V605-V615 HydrophobicContact CB-CG1 4.08Å; V605-V615 HydrophobicContact CG1-CG1 3.41Å; V605-V615 VanDerWaalsContact CG1-CG1 3.41Å; N607-V615 HydrophobicContact CB-CG2 4.06Å; N607-V615 WeakPolarHBondContact ND2-CG2 3.04Å; V615-A635 WeakPolarHBondContact O-CB 3.34Å |
| 616 | S | 60.3 | Low | 59.4 | Low | 35 Ų | 35 | 43.6 Ų | 43.6 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.5 | -178.2 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | A595 S596 N597 | A595-S616 PolarHBondContact O-N 2.84Å; S596-S616 WeakPolarHBondContact CA-O 3.38Å; N597-S616 PolarHBondContact N-O 3.39Å |
| 617 | N | 57.9 | Low | 59.1 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.6 | 173.5 | -52.3 | -47.5 | 0 | 0 | 0 | 111.4 | N597 V619 S625 N637 Q638 | N597-N617 VanDerWaalsContact CB-OD1 3.23Å; N597-N617 WeakPolarHBondContact CB-OD1 3.34Å; N597-N617 WeakPolarHBondContact O-CA 3.38Å; N617-V619 HydrophobicContact CB-CG1 4.4Å; N617-V619 HydrophobicContact CB-CG2 3.69Å; N617-S625 PolarHBondContact ND2-OG 3.1Å; N617-N637 WeakPolarHBondContact CA-OD1 3.44Å; N617-N637 WeakPolarHBondContact CB-OD1 3.38Å; N617-N637 PolarHBondContact N-OD1 2.88Å; N617-N637 PolarHBondContact ND2-OD1 2.89Å; N617-N637 PolarHBondContact O-OD1 2.93Å; N617-Q638 PolarHBondContact O-N 3.26Å |
| 618 | Q | 60.7 | Low | 59 | Low | 98 Ų | 98 | 47 Ų | 47 | 46% | 0.458 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -105.1 | 92.4 | 167.3 | -69.8 | -177.5 | 14.7 | 0 | 0 | 108.5 | N597 Q598 | N597-Q618 PolarHBondContact O-N 2.88Å; N597-Q618 VanDerWaalsContact O-N 3.16Å; Q598-Q618 HydrophobicContact CG-CB 4.35Å |
| 619 | V | 58.9 | Low | 58.9 | Low | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | trans | -140.8 | 141.6 | -164.3 | -81.5 | 0 | 0 | 0 | 0 | 112 | N599 T602 N617 Q638 G639 | N599-V619 HydrophobicContact CB-CG1 4.34Å; N599-V619 VanDerWaalsContact O-CA 3.26Å; N599-V619 WeakPolarHBondContact O-CA 3.41Å; N599-V619 WeakPolarHBondContact O-CG1 3.4Å; T602-V619 VanDerWaalsContact OG1-CG1 3.29Å; T602-V619 WeakPolarHBondContact OG1-CG1 3.31Å; N617-V619 HydrophobicContact CB-CG1 4.4Å; N617-V619 HydrophobicContact CB-CG2 3.69Å; V619-Q638 PolarHBondContact N-O 2.83Å; V619-G639 WeakPolarHBondContact O-CA 3.38Å | ||
| 620 | K | 59.6 | Low | 58.6 | Low | 124 Ų | 124 | 49.2 Ų | 49.2 | 54% | 0.539 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -74 | -36 | 176.7 | -66.3 | -175.3 | 178.3 | -177.2 | 0 | 112.1 | R600 K640 K641 | R600-K620 WeakPolarHBondContact O-CB 3.44Å; R600-K620 PolarHBondContact O-N 2.93Å; K620-K640 PolarHBondContact O-N 3.12Å; K620-K641 PolarHBondContact O-N 2.87Å |
| 621 | K | 58.6 | Low | 58.4 | Low | 96 Ų | 96 | 50.2 Ų | 50.2 | 42% | 0.417 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 133.9 | 176.5 | -169.4 | -168.9 | 179.6 | -149 | 0 | 109.6 | R600 T602 E623 K641 | R600-K621 PolarHBondContact O-N 2.8Å; T602-K621 PolarHBondContact N-O 3.26Å; K621-E623 IonicContact NZ-OE1 3.49Å; K621-E623 PolarHBondContact NZ-OE1 3.04Å; K621-K641 WeakPolarHBondContact CA-O 3.37Å |
| 622 | S | 58.2 | Low | 58.2 | Low | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.6 | 173.8 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | T602 K642 | T602-S622 WeakPolarHBondContact O-CA 3.39Å; S622-K642 WeakPolarHBondContact OG-CG 3.42Å |
| 623 | E | 56.4 | Low | 58 | Low | 86 Ų | 86 | 47.9 Ų | 47.9 | 40% | 0.402 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113 | 170 | -67.4 | 175.1 | -165.2 | 0 | 0 | 108.5 | T602 T604 K621 | T602-E623 PolarHBondContact O-N 2.96Å; T604-E623 PolarHBondContact N-O 2.89Å; T604-E623 VanDerWaalsContact N-O 3.07Å; K621-E623 IonicContact NZ-OE1 3.49Å; K621-E623 PolarHBondContact NZ-OE1 3.04Å |
| 624 | G | 51.9 | Low | 57.7 | Low | 18 Ų | 18 | 45.1 Ų | 45.1 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | trans | 61.3 | 123.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | T604 V605 | T604-G624 WeakPolarHBondContact CA-O 3.36Å; V605-G624 PolarHBondContact N-O 3.36Å | ||
| 625 | S | 56.3 | Low | 57.6 | Low | 8 Ų | 8 | 45.4 Ų | 45.4 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | trans | -128.9 | 70.4 | 166.4 | -61 | 0 | 0 | 0 | 0 | 112.2 | V605 N617 S645 | V605-S625 CarbonylContact O-C 3.58Å; V605-S625 WeakPolarHBondContact O-CA 3.17Å; N617-S625 PolarHBondContact ND2-OG 3.1Å; S625-S645 PolarHBondContact N-OG 2.92Å; S625-S645 WeakPolarHBondContact O-CB 3.43Å | ||
| 626 | P | 57.9 | Low | 57.3 | Low | 32 Ų | 32 | 48.8 Ų | 48.8 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | trans | -68.1 | 135.1 | -175.8 | 26.4 | -33.5 | 0 | 0 | 0 | 112.5 | V605 A606 N607 P646 | V605-P626 WeakPolarHBondContact O-CD 3.43Å; A606-P626 WeakPolarHBondContact CA-O 3.29Å; A606-P626 HydrophobicContact CB-CG 4.04Å; N607-P626 PolarHBondContact N-O 3.29Å; P626-P646 VanDerWaalsContact CA-O 3.22Å; P626-P646 WeakPolarHBondContact CA-O 3.46Å; P626-P646 HydrophobicContact CB-CG 4.37Å | ||
| 627 | N | 55.8 | Low | 56.8 | Low | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118.3 | 169.4 | -164.8 | -3.2 | 0 | 0 | 0 | 108.6 | N607 Q612 P646 S647 Q648 | N607-N627 WeakPolarHBondContact O-CA 3.37Å; N607-N627 PolarHBondContact O-OD1 3.42Å; Q612-N627 WeakPolarHBondContact CB-OD1 3.28Å; N627-P646 PolarHBondContact N-O 2.87Å; N627-S647 VanDerWaalsContact O-CA 3.31Å; N627-S647 WeakPolarHBondContact O-CA 3.42Å; N627-Q648 PolarHBondContact O-N 3.47Å; N627-Q648 VanDerWaalsContact O-N 3.09Å |
| 628 | Q | 59.4 | Low | 56.7 | Low | 78 Ų | 78 | 52.6 Ų | 52.6 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.1 | -176.4 | -65.7 | -175.6 | -10.3 | 0 | 0 | 110.7 | N607 Q608 G609 Q648 | N607-Q628 PolarHBondContact O-N 3.16Å; Q608-Q628 WeakPolarHBondContact CA-O 3.29Å; Q608-Q628 HydrophobicContact CG-CB 4.39Å; G609-Q628 PolarHBondContact N-O 2.92Å; Q628-Q648 WeakPolarHBondContact CA-O 3.41Å; Q628-Q648 HydrophobicContact CG-CB 4.36Å |
| 629 | G | 59.6 | Low | 56.4 | Low | 22 Ų | 22 | 48.8 Ų | 48.8 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | -170.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | G609 Q648 A649 | G609-G629 WeakPolarHBondContact O-CA 3.37Å; G629-Q648 PolarHBondContact N-O 3.33Å; G629-A649 WeakPolarHBondContact O-CA 3.44Å; G629-A649 WeakPolarHBondContact O-CB 3.3Å |
| 630 | K | 57.2 | Low | 56.1 | Low | 130 Ų | 130 | 54.6 Ų | 54.6 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -37.7 | 172.1 | -63.7 | -169.3 | -175.1 | -178.7 | 0 | 111.4 | T610 K650 K651 | T610-K630 HydrophobicContact CG2-CB 4.13Å; T610-K630 HydrophobicContact CG2-CD 3.7Å; T610-K630 HydrophobicContact CG2-CG 3.9Å; T610-K630 WeakPolarHBondContact O-CA 3.45Å; T610-K630 WeakPolarHBondContact O-CB 2.99Å; T610-K630 PolarHBondContact O-N 2.88Å; K630-K650 WeakPolarHBondContact O-CB 3.32Å; K630-K650 PolarHBondContact O-N 3.45Å; K630-K651 PolarHBondContact O-N 2.91Å; K630-K651 VanDerWaalsContact O-N 3.17Å |
| 631 | K | 57.4 | Low | 55.8 | Low | 76 Ų | 76 | 54.7 Ų | 54.7 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 126.3 | 171.1 | -168.4 | -170 | -178.7 | -143.7 | 0 | 108.5 | T610 K611 Q612 E633 K651 | T610-K631 PolarHBondContact O-N 3.28Å; T610-K631 VanDerWaalsContact O-N 3.11Å; K611-K631 WeakPolarHBondContact CA-O 3.37Å; Q612-K631 PolarHBondContact N-O 2.87Å; Q612-K631 VanDerWaalsContact N-O 3.12Å; K631-E633 IonicContact NZ-OE1 2.67Å; K631-E633 PolarHBondContact NZ-OE1 3.27Å; K631-K651 WeakPolarHBondContact CA-O 3.31Å; K631-K651 HydrophobicContact CG-CB 4.34Å |
| 632 | A | 58.5 | Low | 55.5 | Low | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q612 A649 K651 V652 D653 | Q612-A632 WeakPolarHBondContact O-CA 3.31Å; A632-A649 HydrophobicContact CB-CB 4.06Å; A632-K651 PolarHBondContact N-O 3.18Å; A632-K651 VanDerWaalsContact N-O 3.1Å; A632-V652 WeakPolarHBondContact O-CA 3.47Å; A632-D653 PolarHBondContact O-N 2.84Å; A632-D653 VanDerWaalsContact O-N 3.1Å |
| 633 | E | 56.9 | Low | 55.2 | Low | 65 Ų | 65 | 55.4 Ų | 55.4 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125 | 167.7 | -88.3 | 166.6 | -143.5 | 0 | 0 | 108.5 | Q612 G614 K631 D653 | Q612-E633 PolarHBondContact O-N 3.31Å; G614-E633 PolarHBondContact N-O 2.92Å; K631-E633 IonicContact NZ-OE1 2.67Å; K631-E633 PolarHBondContact NZ-OE1 3.27Å; E633-D653 HydrophobicContact CG-CB 3.82Å; E633-D653 WeakPolarHBondContact CG-OD2 3.36Å |
| 634 | G | 53.4 | Low | 54.7 | Low | 39 Ų | 39 | 52.3 Ų | 52.3 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | trans | -69.6 | 151.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D653 A655 | G634-D653 PolarHBondContact N-O 3.41Å; G634-A655 VanDerWaalsContact C-CB 3.41Å; G634-A655 WeakPolarHBondContact O-CB 3.31Å | ||
| 635 | A | 55.5 | Low | 54.7 | Low | 20 Ų | 20 | 52.9 Ų | 52.9 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | trans | -112.3 | 158.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G614 V615 A655 | G614-A635 VanDerWaalsContact CA-CB 3.43Å; V615-A635 WeakPolarHBondContact O-CB 3.34Å; A635-A655 VanDerWaalsContact C-CB 3.41Å; A635-A655 WeakPolarHBondContact O-CB 3.44Å | ||
| 636 | P | 53.4 | Low | 54.5 | Low | 79 Ų | 79 | 55.3 Ų | 55.3 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | trans | -60.2 | 144.1 | -178.2 | -19.9 | 30.4 | 0 | 0 | 0 | 112 | ||||
| 637 | N | 49.9 | Very low | 54.2 | Low | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 112.2 | -173.2 | -109.2 | -28.4 | 0 | 0 | 0 | 107.1 | N617 K642 N657 Q658 | N617-N637 WeakPolarHBondContact CA-OD1 3.44Å; N617-N637 WeakPolarHBondContact CB-OD1 3.38Å; N617-N637 PolarHBondContact N-OD1 2.88Å; N617-N637 PolarHBondContact ND2-OD1 2.89Å; N617-N637 PolarHBondContact O-OD1 2.93Å; N637-K642 VanDerWaalsContact CB-NZ 3.28Å; N637-N657 WeakPolarHBondContact CB-OD1 3.42Å; N637-Q658 PolarHBondContact O-N 3.22Å |
| 638 | Q | 54.9 | Low | 54.1 | Low | 101 Ų | 101 | 59 Ų | 59 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.3 | -174 | -65.3 | 180 | 8.3 | 0 | 0 | 110.5 | N617 V619 | N617-Q638 PolarHBondContact O-N 3.26Å; V619-Q638 PolarHBondContact N-O 2.83Å |
| 639 | G | 54.3 | Low | 54 | Low | 18 Ų | 18 | 55.7 Ų | 55.7 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 169.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | V619 Q658 G659 | V619-G639 WeakPolarHBondContact O-CA 3.38Å; G639-Q658 PolarHBondContact N-O 3.04Å; G639-Q658 VanDerWaalsContact N-O 3.12Å; G639-G659 WeakPolarHBondContact O-CA 3.31Å |
| 640 | K | 53.9 | Low | 53.8 | Low | 127 Ų | 127 | 60.7 Ų | 60.7 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -87.9 | -35 | -175.8 | -67.2 | -168.2 | 178.9 | -169.2 | 0 | 114.3 | K620 K661 | K620-K640 PolarHBondContact O-N 3.12Å; K640-K661 PolarHBondContact O-N 2.95Å |
| 641 | K | 52.9 | Low | 53.5 | Low | 127 Ų | 127 | 59.9 Ų | 59.9 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 133.4 | -177.9 | -63.8 | -171.8 | 179.5 | -173.8 | 0 | 111 | K620 K621 K661 | K620-K641 PolarHBondContact O-N 2.87Å; K621-K641 WeakPolarHBondContact CA-O 3.37Å; K641-K661 WeakPolarHBondContact CA-O 3.47Å; K641-K661 HydrophobicContact CG-CB 4.49Å |
| 642 | K | 51.6 | Low | 53.4 | Low | 29 Ų | 29 | 56.6 Ų | 56.6 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 144 | 178.9 | -61.5 | -168.6 | 176.4 | -177.9 | 0 | 113.5 | S622 N637 K661 E663 | S622-K642 WeakPolarHBondContact OG-CG 3.42Å; N637-K642 VanDerWaalsContact CB-NZ 3.28Å; K642-K661 PolarHBondContact N-O 2.87Å; K642-E663 PolarHBondContact O-N 3.21Å |
| 643 | D | 52 | Low | 53.3 | Low | 84 Ų | 84 | 59.2 Ų | 59.2 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 145.7 | 162.4 | -54.3 | -37.6 | 0 | 0 | 0 | 108.8 | ||
| 644 | G | 46.6 | Very low | 53.1 | Low | 22 Ų | 22 | 58.2 Ų | 58.2 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | trans | -53.7 | 147.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | P646 E663 | G644-P646 WeakPolarHBondContact O-CD 3.26Å; G644-E663 WeakPolarHBondContact CA-O 3.41Å; G644-E663 PolarHBondContact N-O 2.77Å | ||
| 645 | S | 51.8 | Low | 53.1 | Low | 30 Ų | 30 | 57.8 Ų | 57.8 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | trans | -107.6 | 95.8 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 110 | S625 S647 | S625-S645 PolarHBondContact N-OG 2.92Å; S625-S645 WeakPolarHBondContact O-CB 3.43Å; S645-S647 PolarHBondContact O-N 2.93Å | ||
| 646 | P | 52.2 | Low | 52.9 | Low | 58 Ų | 58 | 58.6 Ų | 58.6 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | trans | -67.3 | 123.6 | -179.4 | 23.6 | -29.8 | 0 | 0 | 0 | 110.1 | P626 N627 G644 A665 | P626-P646 VanDerWaalsContact CA-O 3.22Å; P626-P646 WeakPolarHBondContact CA-O 3.46Å; P626-P646 HydrophobicContact CB-CG 4.37Å; N627-P646 PolarHBondContact N-O 2.87Å; G644-P646 WeakPolarHBondContact O-CD 3.26Å; P646-A665 HydrophobicContact CB-CB 4.23Å | ||
| 647 | S | 50.5 | Low | 52.6 | Low | 27 Ų | 27 | 58.1 Ų | 58.1 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.6 | 168.5 | -67.7 | 0 | 0 | 0 | 0 | 108.8 | N627 S645 A667 Q668 | N627-S647 VanDerWaalsContact O-CA 3.31Å; N627-S647 WeakPolarHBondContact O-CA 3.42Å; S645-S647 PolarHBondContact O-N 2.93Å; S647-A667 WeakPolarHBondContact O-CA 3.23Å; S647-Q668 PolarHBondContact O-N 3.11Å |
| 648 | Q | 55.2 | Low | 52.7 | Low | 89 Ų | 89 | 63.7 Ų | 63.7 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 107.1 | 176.4 | -74.5 | -179.5 | -6.4 | 0 | 0 | 108.6 | N627 Q628 G629 Q668 | N627-Q648 PolarHBondContact O-N 3.47Å; N627-Q648 VanDerWaalsContact O-N 3.09Å; Q628-Q648 WeakPolarHBondContact CA-O 3.41Å; Q628-Q648 HydrophobicContact CG-CB 4.36Å; G629-Q648 PolarHBondContact N-O 3.33Å; Q648-Q668 HydrophobicContact CG-CB 4.22Å |
| 649 | A | 57.1 | Low | 52.4 | Low | 9 Ų | 9 | 60.8 Ų | 60.8 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 154.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G629 A632 K651 V652 Q668 G669 | G629-A649 WeakPolarHBondContact O-CA 3.44Å; G629-A649 WeakPolarHBondContact O-CB 3.3Å; A632-A649 HydrophobicContact CB-CB 4.06Å; A649-K651 WeakPolarHBondContact CB-O 3.45Å; A649-K651 PolarHBondContact O-N 3.48Å; A649-V652 HydrophobicContact CB-CG2 3.75Å; A649-Q668 PolarHBondContact N-O 3.06Å; A649-G669 WeakPolarHBondContact O-CA 2.87Å |
| 650 | K | 54.3 | Low | 52.3 | Low | 128 Ų | 128 | 68.7 Ų | 68.7 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | -35 | 176.5 | -63.7 | -168.2 | 175.9 | -161.4 | 0 | 112.2 | K630 Q670 K671 | K630-K650 WeakPolarHBondContact O-CB 3.32Å; K630-K650 PolarHBondContact O-N 3.45Å; K650-Q670 PolarHBondContact O-N 2.94Å; K650-Q670 VanDerWaalsContact O-N 3.15Å; K650-K671 PolarHBondContact O-N 3.36Å |
| 651 | K | 52.3 | Low | 52 | Low | 112 Ų | 112 | 69.7 Ų | 69.7 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.3 | 169.9 | -65.6 | -169.5 | 178.8 | -169.1 | 0 | 109.9 | K630 K631 A632 A649 K671 | K630-K651 PolarHBondContact O-N 2.91Å; K630-K651 VanDerWaalsContact O-N 3.17Å; K631-K651 WeakPolarHBondContact CA-O 3.31Å; K631-K651 HydrophobicContact CG-CB 4.34Å; A632-K651 PolarHBondContact N-O 3.18Å; A632-K651 VanDerWaalsContact N-O 3.1Å; A649-K651 WeakPolarHBondContact CB-O 3.45Å; A649-K651 PolarHBondContact O-N 3.48Å; K651-K671 WeakPolarHBondContact CA-O 3.39Å; K651-K671 HydrophobicContact CG-CB 4.39Å |
| 652 | V | 54 | Low | 51.7 | Low | 8 Ų | 8 | 66.8 Ų | 66.8 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.7 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | A632 A649 A667 K671 A672 S673 | A632-V652 WeakPolarHBondContact O-CA 3.47Å; A649-V652 HydrophobicContact CB-CG2 3.75Å; V652-A667 HydrophobicContact CG1-CB 4.29Å; V652-K671 PolarHBondContact N-O 3.23Å; V652-A672 WeakPolarHBondContact O-CA 3.48Å; V652-S673 PolarHBondContact O-N 3.05Å |
| 653 | D | 57.3 | Low | 51.6 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 108.9 | 167.2 | -59.8 | -42.5 | 0 | 0 | 0 | 107 | A632 E633 G634 S673 | A632-D653 PolarHBondContact O-N 2.84Å; A632-D653 VanDerWaalsContact O-N 3.1Å; E633-D653 HydrophobicContact CG-CB 3.82Å; E633-D653 WeakPolarHBondContact CG-OD2 3.36Å; G634-D653 PolarHBondContact N-O 3.41Å; D653-S673 PolarHBondContact OD1-OG 3.01Å; D653-S673 VanDerWaalsContact OD1-OG 3.13Å |
| 654 | A | 52.3 | Low | 51.2 | Low | 44 Ų | 44 | 75 Ų | 75 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 655 | A | 53.2 | Low | 51.4 | Low | 30 Ų | 30 | 75.4 Ų | 75.4 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 151.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G634 A635 N657 | G634-A655 VanDerWaalsContact C-CB 3.41Å; G634-A655 WeakPolarHBondContact O-CB 3.31Å; A635-A655 VanDerWaalsContact C-CB 3.41Å; A635-A655 WeakPolarHBondContact O-CB 3.44Å; A655-N657 PolarHBondContact O-N 2.86Å |
| 656 | A | 51.3 | Low | 51.1 | Low | 38 Ų | 38 | 78.5 Ų | 78.5 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 121.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 657 | N | 47.2 | Very low | 51 | Low | 69 Ų | 69 | 78.1 Ų | 78.1 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132 | 166.9 | -83.1 | -48.4 | 0 | 0 | 0 | 108.8 | N637 A655 | N637-N657 WeakPolarHBondContact CB-OD1 3.42Å; A655-N657 PolarHBondContact O-N 2.86Å |
| 658 | Q | 51.6 | Low | 51 | Low | 131 Ų | 131 | 82.5 Ų | 82.5 | 61% | 0.612 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.7 | 171.6 | -66.4 | -176.4 | 21.2 | 0 | 0 | 109.3 | N637 G639 | N637-Q658 PolarHBondContact O-N 3.22Å; G639-Q658 PolarHBondContact N-O 3.04Å; G639-Q658 VanDerWaalsContact N-O 3.12Å |
| 659 | G | 49.2 | Very low | 50.7 | Low | 41 Ų | 41 | 80 Ų | 80 | 42% | 0.423 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 155.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G639 K661 | G639-G659 WeakPolarHBondContact O-CA 3.31Å; G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 3.2Å |
| 660 | K | 52 | Low | 50.5 | Low | 184 Ų | 184 | 87.4 Ų | 87.4 | 80% | 0.8 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -74.1 | -21.3 | -176.3 | -63.6 | -165.5 | 177.2 | -159.5 | 0 | 113.7 | ||
| 661 | K | 48.1 | Very low | 50.1 | Low | 147 Ų | 147 | 88.3 Ų | 88.3 | 64% | 0.639 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -147.4 | 107.7 | 173.8 | -70.2 | -166.7 | 176.6 | -161 | 0 | 108.5 | K640 K641 K642 G659 | K640-K661 PolarHBondContact O-N 2.95Å; K641-K661 WeakPolarHBondContact CA-O 3.47Å; K641-K661 HydrophobicContact CG-CB 4.49Å; K642-K661 PolarHBondContact N-O 2.87Å; G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 3.2Å |
| 662 | S | 46.6 | Very low | 49.7 | Very low | 66 Ų | 66 | 86.4 Ų | 86.4 | 46% | 0.462 | 48% | 0.484 | S | S | . | . | B | Isolated β-bridge | trans | -131.5 | 121.8 | 175.6 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 663 | E | 48.1 | Very low | 49.3 | Very low | 147 Ų | 147 | 89 Ų | 89 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 121.2 | 158.6 | -77 | -178.3 | 173.3 | 0 | 0 | 107.9 | K642 G644 A665 | K642-E663 PolarHBondContact O-N 3.21Å; G644-E663 WeakPolarHBondContact CA-O 3.41Å; G644-E663 PolarHBondContact N-O 2.77Å; E663-A665 PolarHBondContact O-N 3.35Å |
| 664 | M | 44.9 | Very low | 48.5 | Very low | 140 Ų | 140 | 93.3 Ų | 93.3 | 69% | 0.69 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 118.6 | 172 | -89 | 161.9 | 53.4 | 0 | 0 | 108.6 | M674 | M664-M674 HydrophobicContact CE-CE 3.86Š|
| 665 | A | 49.6 | Very low | 47.9 | Very low | 29 Ų | 29 | 96 Ų | 96 | 24% | 0.24 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 146.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109 | P646 E663 A667 | P646-A665 HydrophobicContact CB-CB 4.23Å; E663-A665 PolarHBondContact O-N 3.35Å; A665-A667 PolarHBondContact O-N 2.67Å |
| 666 | P | 47.2 | Very low | 47 | Very low | 96 Ų | 96 | 102.9 Ų | 102.9 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 134.2 | 177.6 | 24.2 | -32.4 | 0 | 0 | 0 | 111 | ||
| 667 | A | 49.5 | Very low | 46.1 | Very low | 50 Ų | 50 | 104.3 Ų | 104.3 | 41% | 0.413 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 113.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | S647 V652 A665 | S647-A667 WeakPolarHBondContact O-CA 3.23Å; V652-A667 HydrophobicContact CG1-CB 4.29Å; A665-A667 PolarHBondContact O-N 2.67Å |
| 668 | Q | 49.5 | Very low | 45.5 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 108.8 | 175.3 | -72.1 | -179.1 | -36.6 | 0 | 0 | 108.6 | S647 Q648 A649 | S647-Q668 PolarHBondContact O-N 3.11Å; Q648-Q668 HydrophobicContact CG-CB 4.22Å; A649-Q668 PolarHBondContact N-O 3.06Å |
| 669 | G | 48.7 | Very low | 44.5 | Very low | 36 Ų | 36 | 112.5 Ų | 112.5 | 37% | 0.371 | 61% | 0.605 | S | S | . | * | trans | -156.8 | 152.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A649 K671 | A649-G669 WeakPolarHBondContact O-CA 2.87Å; G669-K671 VanDerWaalsContact C-N 3.27Å; G669-K671 PolarHBondContact O-N 3.24Å | ||
| 670 | Q | 53.8 | Low | 43.6 | Very low | 164 Ų | 164 | 114.7 Ų | 114.7 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -72.1 | -23.6 | 179.8 | -70.5 | -172.6 | -37.1 | 0 | 0 | 112.2 | K650 | K650-Q670 PolarHBondContact O-N 2.94Å; K650-Q670 VanDerWaalsContact O-N 3.15Å |
| 671 | K | 46.4 | Very low | 42.7 | Very low | 147 Ų | 147 | 111.4 Ų | 111.4 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -139.5 | 109.4 | 171.6 | -56.2 | -166.8 | -176.8 | -156.6 | 0 | 109.2 | K650 K651 V652 G669 | K650-K671 PolarHBondContact O-N 3.36Å; K651-K671 WeakPolarHBondContact CA-O 3.39Å; K651-K671 HydrophobicContact CG-CB 4.39Å; V652-K671 PolarHBondContact N-O 3.23Å; G669-K671 VanDerWaalsContact C-N 3.27Å; G669-K671 PolarHBondContact O-N 3.24Å |
| 672 | A | 43.9 | Very low | 42 | Very low | 72 Ų | 72 | 113.7 Ų | 113.7 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.5 | 173 | 0 | 0 | 0 | 0 | 0 | 108.7 | V652 | V652-A672 WeakPolarHBondContact O-CA 3.48Å |
| 673 | S | 44.5 | Very low | 41.3 | Very low | 64 Ų | 64 | 119.3 Ų | 119.3 | 45% | 0.448 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.5 | 167.1 | 59 | 0 | 0 | 0 | 0 | 109.4 | V652 D653 | V652-S673 PolarHBondContact O-N 3.05Å; D653-S673 PolarHBondContact OD1-OG 3.01Å; D653-S673 VanDerWaalsContact OD1-OG 3.13Å |
| 674 | M | 40.8 | Very low | 40.7 | Very low | 145 Ų | 145 | 119.7 Ų | 119.7 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.8 | -176 | -151.8 | 178.9 | -158.1 | 0 | 0 | 109 | M664 | M664-M674 HydrophobicContact CE-CE 3.86Å |
| 675 | V | 39.5 | Very low | 40.1 | Very low | 102 Ų | 102 | 118 Ų | 118 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | trans | -87.6 | 107.8 | 165.6 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | S677 | V675-S677 PolarHBondContact O-N 3.3Š| ||
| 676 | Q | 35.1 | Very low | 39.4 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -63.6 | 120.3 | 178.6 | -81.5 | 176.6 | -23.4 | 0 | 0 | 110.3 | Q678 | Q676-Q678 PolarHBondContact O-N 2.68Š| ||
| 677 | S | 32.7 | Very low | 38.8 | Very low | 67 Ų | 67 | 123 Ų | 123 | 47% | 0.469 | 70% | 0.699 | S | S | . | * | trans | -62.2 | 120.6 | 164.3 | -72.8 | 0 | 0 | 0 | 0 | 108.6 | V675 E679 | V675-S677 PolarHBondContact O-N 3.3Å; S677-E679 PolarHBondContact O-N 3.02Å | ||
| 678 | Q | 32.7 | Very low | 38.3 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 92% | 0.921 | 72% | 0.723 | S | S | * | * | trans | -62.1 | 108.8 | 166.9 | -71.2 | -173.9 | 43.9 | 0 | 0 | 108.3 | Q676 A680 | Q676-Q678 PolarHBondContact O-N 2.68Å; Q678-A680 PolarHBondContact O-N 2.69Å | ||
| 679 | E | 31.5 | Very low | 37.5 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 124.7 | 169.5 | -160.6 | 168.2 | 166.8 | 0 | 0 | 107.8 | S677 | S677-E679 PolarHBondContact O-N 3.02Š|
| 680 | A | 30.8 | Very low | 37.1 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q678 K682 | Q678-A680 PolarHBondContact O-N 2.69Å; A680-K682 PolarHBondContact O-N 3.42Å |
| 681 | P | 32.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 121.1 | -163.4 | 26.4 | -33.3 | 0 | 0 | 0 | 110.6 | Q683 | P681-Q683 PolarHBondContact O-N 2.85Š|
| 682 | K | 34.6 | Very low | 35.7 | Very low | 194 Ų | 194 | 138 Ų | 138 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -75.8 | 112.8 | 158.5 | -69.8 | -179.8 | -179.2 | 172.2 | 0 | 106.8 | A680 D684 | A680-K682 PolarHBondContact O-N 3.42Å; K682-D684 PolarHBondContact O-N 3.3Å | ||
| 683 | Q | 31.9 | Very low | 35.4 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 108.3 | 178.4 | -68.1 | 176.9 | -48.2 | 0 | 0 | 109.3 | P681 | P681-Q683 PolarHBondContact O-N 2.85Š| ||
| 684 | D | 34.6 | Very low | 35 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -136.6 | 114.2 | 156.1 | -82.9 | -45.8 | 0 | 0 | 0 | 107.5 | K682 | K682-D684 PolarHBondContact O-N 3.3Š| ||
| 685 | A | 32 | Very low | 34.8 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 126.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 686 | P | 34.4 | Very low | 34.9 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 147.5 | 175.3 | 34.9 | -30.1 | 0 | 0 | 0 | 113.3 | ||
| 687 | A | 35.5 | Very low | 35.1 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 139.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 688 | K | 38.6 | Very low | 35.5 | Very low | 210 Ų | 210 | 158.3 Ų | 158.3 | 91% | 0.913 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 124.6 | 179.3 | -70.6 | 177.3 | 177.3 | 174.7 | 0 | 111.5 | ||
| 689 | K | 34.2 | Very low | 36.1 | Very low | 206 Ų | 206 | 154.4 Ų | 154.4 | 90% | 0.896 | 85% | 0.847 | S | S | * | * | trans | -131.2 | 115.3 | 153.9 | -76.9 | -170.9 | 179.1 | -179.8 | 0 | 108.7 | ||||
| 690 | K | 38.6 | Very low | 36.4 | Very low | 214 Ų | 214 | 152.4 Ų | 152.4 | 93% | 0.93 | 85% | 0.847 | S | S | * | * | trans | -144.2 | 125 | 154.5 | -91.4 | -160.7 | 178.6 | -177 | 0 | 109.7 | ||||
| 691 | S | 35.6 | Very low | 36.5 | Very low | 121 Ų | 121 | 158 Ų | 158 | 85% | 0.846 | 88% | 0.879 | S | S | * | * | trans | -87.3 | 156.2 | 177.2 | 48 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 692 | G | 35 | Very low | 36.7 | Very low | 82 Ų | 82 | 160.2 Ų | 160.2 | 85% | 0.845 | 89% | 0.885 | S | S | * | * | trans | 91.3 | 99 | 138 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 693 | S | 38.3 | Very low | 36.8 | Very low | 122 Ų | 122 | 158.4 Ų | 158.4 | 85% | 0.853 | 89% | 0.887 | S | S | * | * | trans | -141.4 | 105.6 | 150.3 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 694 | R | 36.4 | Very low | 37.1 | Very low | 245 Ų | 245 | 156.9 Ų | 156.9 | 93% | 0.925 | 89% | 0.888 | S | S | * | * | trans | -80.1 | 133.9 | 170.4 | -72.5 | 174 | 169.3 | 175.8 | -4.4 | 109.2 | ||||
| 695 | K | 36.3 | Very low | 37.2 | Very low | 202 Ų | 202 | 157 Ų | 157 | 88% | 0.878 | 89% | 0.892 | S | S | * | * | trans | -165.2 | 146.7 | 152.8 | -133.9 | 173.1 | -177.9 | 178.9 | 0 | 112.8 | ||||
| 696 | K | 42.5 | Very low | 37.6 | Very low | 210 Ų | 210 | 160.3 Ų | 160.3 | 91% | 0.913 | 89% | 0.893 | S | S | * | * | trans | 100.5 | 89.5 | 167.3 | -64.7 | -170.6 | 171.9 | -172.7 | 0 | 115.9 | ||||
| 697 | G | 38.5 | Very low | 37.8 | Very low | 75 Ų | 75 | 162.7 Ų | 162.7 | 77% | 0.773 | 90% | 0.9 | S | S | * | * | trans | -131.7 | 120.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 698 | E | 42 | Very low | 38 | Very low | 195 Ų | 195 | 166.9 Ų | 166.9 | 91% | 0.911 | 90% | 0.902 | S | S | * | * | trans | -158.2 | 115 | 160.4 | -111.3 | -179.2 | 150.4 | 0 | 0 | 106.6 | ||||
| 699 | P | 44.8 | Very low | 37.9 | Very low | 115 Ų | 115 | 163.5 Ų | 163.5 | 75% | 0.747 | 90% | 0.901 | S | S | * | * | trans | -108.7 | 131.9 | 171.3 | 32.3 | -20.3 | 0 | 0 | 0 | 112.4 | ||||
| 700 | V | 36.8 | Very low | 38.2 | Very low | 135 Ų | 135 | 160 Ų | 160 | 82% | 0.818 | 90% | 0.902 | S | S | * | * | trans | 62.1 | 99.2 | 137.1 | -167.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 701 | C | 33.8 | Very low | 38.2 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 100% | 1.378 | 90% | 0.899 | S | S | * | * | -145.1 | 0 | 112.3 | -88.9 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 701 of 701 residues in 139.8 ms
(Link to these results)