| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.6 | Very low | 66.5 | Low | 219 Ų | 219 | 123.5 Ų | 123.5 | 100% | 1.079 | 65% | 0.649 | S | S | * | * | 0 | 100.9 | 0 | -97 | 58.5 | -178.8 | 0 | 0 | 108 | I3 | M1-I3 PolarHBondContact O-N 2.92Š| |||
| 2 | D | 53 | Low | 67.7 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -82.7 | 106.6 | -170.4 | -59.7 | -85.2 | 0 | 0 | 0 | 110.4 | Y4 | D2-Y4 PolarHBondContact O-N 3.38Š| ||
| 3 | I | 57.8 | Low | 68.9 | Low | 143 Ų | 143 | 120.2 Ų | 120.2 | 73% | 0.733 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 3 | 179.3 | -35.6 | -178.8 | 0 | 0 | 0 | 111.4 | M1 | M1-I3 PolarHBondContact O-N 2.92Š|
| 4 | Y | 65.9 | Low | 69.9 | Low | 210 Ų | 210 | 121.6 Ų | 121.6 | 82% | 0.824 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 8.1 | -173.5 | -74.7 | -79.3 | 0 | 0 | 0 | 114.2 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.38Å; Y4-T6 PolarHBondContact O-N 3.14Å |
| 5 | D | 68.8 | Low | 70.9 | Confident | 63 Ų | 63 | 115.9 Ų | 115.9 | 34% | 0.337 | 62% | 0.624 | S | S | . | * | trans | -62.4 | 128.7 | 166.9 | 152.5 | 54.7 | 0 | 0 | 0 | 110.3 | Q7 T8 L9 | D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 PolarHBondContact OD1-N 2.87Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.38Å; D5-Q7 PolarHBondContact OD2-N 2.98Å; D5-T8 WeakPolarHBondContact CB-OG1 3.03Å; D5-T8 PolarHBondContact O-N 2.82Å; D5-T8 PolarHBondContact O-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CB 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.26Å; D5-T8 PolarHBondContact OD2-N 2.89Å; D5-T8 PolarHBondContact OD2-OG1 3.12Å; D5-L9 WeakPolarHBondContact O-CB 3.37Å; D5-L9 PolarHBondContact O-N 2.97Å | ||
| 6 | T | 67.2 | Low | 71.9 | Confident | 119 Ų | 119 | 110.9 Ų | 110.9 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.9 | -26.8 | -177.2 | -37.2 | 0 | 0 | 0 | 0 | 112.5 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.14Å; T6-G10 PolarHBondContact O-N 3.08Å |
| 7 | Q | 71.4 | Confident | 72.9 | Confident | 157 Ų | 157 | 112.4 Ų | 112.4 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.8 | -50.7 | 177.4 | -56.9 | -167.9 | 22.8 | 0 | 0 | 111.5 | D5 L9 G10 V11 | D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 PolarHBondContact OD1-N 2.87Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.38Å; D5-Q7 PolarHBondContact OD2-N 2.98Å; Q7-L9 PolarHBondContact O-N 3.32Å; Q7-G10 WeakPolarHBondContact O-CA 3.43Å; Q7-G10 PolarHBondContact O-N 2.84Å; Q7-G10 VanDerWaalsContact O-N 3.12Å; Q7-V11 WeakPolarHBondContact O-CG2 3.4Å; Q7-V11 PolarHBondContact O-N 2.91Å |
| 8 | T | 71.7 | Confident | 73.9 | Confident | 70 Ų | 70 | 113.1 Ų | 113.1 | 43% | 0.429 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.9 | -40.7 | 175.4 | 43.7 | 0 | 0 | 0 | 0 | 112 | D5 G10 V11 V12 | D5-T8 WeakPolarHBondContact CB-OG1 3.03Å; D5-T8 PolarHBondContact O-N 2.82Å; D5-T8 PolarHBondContact O-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CB 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.26Å; D5-T8 PolarHBondContact OD2-N 2.89Å; D5-T8 PolarHBondContact OD2-OG1 3.12Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 3.39Å; T8-V11 PolarHBondContact O-N 2.69Å; T8-V12 WeakPolarHBondContact O-CG2 3.34Å; T8-V12 PolarHBondContact O-N 2.94Å |
| 9 | L | 74.9 | Confident | 74.8 | Confident | 94 Ų | 94 | 111.7 Ų | 111.7 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.4 | -41.8 | 171.9 | -168.2 | 72.2 | 0 | 0 | 0 | 111.6 | D5 Q7 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.37Å; D5-L9 PolarHBondContact O-N 2.97Å; Q7-L9 PolarHBondContact O-N 3.32Å; L9-V12 PolarHBondContact O-N 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.4Å; L9-V13 PolarHBondContact O-N 3.31Å |
| 10 | G | 74.2 | Confident | 75.6 | Confident | 38 Ų | 38 | 111.2 Ų | 111.2 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.7 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | T6 Q7 T8 V13 F14 | T6-G10 PolarHBondContact O-N 3.08Å; Q7-G10 WeakPolarHBondContact O-CA 3.43Å; Q7-G10 PolarHBondContact O-N 2.84Å; Q7-G10 VanDerWaalsContact O-N 3.12Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 3.39Å; G10-V13 PolarHBondContact O-N 3.07Å; G10-F14 VanDerWaalsContact O-CB 3.31Å; G10-F14 WeakPolarHBondContact O-CB 3.48Å; G10-F14 PolarHBondContact O-N 2.76Å |
| 11 | V | 78.1 | Confident | 76.3 | Confident | 106 Ų | 106 | 107.8 Ų | 107.8 | 64% | 0.642 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.7 | -42.4 | 176.8 | 173 | 0 | 0 | 0 | 0 | 111.5 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.4Å; Q7-V11 PolarHBondContact O-N 2.91Å; T8-V11 PolarHBondContact O-N 2.69Å; V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 2.55Å |
| 12 | V | 81.3 | Confident | 78.4 | Confident | 105 Ų | 105 | 100 Ų | 100 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.4 | -46.7 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | T8 L9 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.34Å; T8-V12 PolarHBondContact O-N 2.94Å; L9-V12 PolarHBondContact O-N 3.31Å; V12-G16 PolarHBondContact O-N 3.39Å |
| 13 | V | 83.2 | Confident | 80.2 | Confident | 99 Ų | 99 | 98 Ų | 98 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66 | -45 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L9 G10 F17 | L9-V13 WeakPolarHBondContact O-CG2 3.4Å; L9-V13 PolarHBondContact O-N 3.31Å; G10-V13 PolarHBondContact O-N 3.07Å; V13-F17 WeakPolarHBondContact O-CB 3.34Å; V13-F17 PolarHBondContact O-N 2.97Å |
| 14 | F | 82 | Confident | 81.8 | Confident | 140 Ų | 140 | 92.7 Ų | 92.7 | 61% | 0.614 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.4 | -38 | -177.4 | -145.7 | -86.8 | 0 | 0 | 0 | 112.3 | G10 F17 M18 | G10-F14 VanDerWaalsContact O-CB 3.31Å; G10-F14 WeakPolarHBondContact O-CB 3.48Å; G10-F14 PolarHBondContact O-N 2.76Å; F14-F17 PolarHBondContact O-N 3.25Å; F14-M18 HydrophobicContact CE1-CE 4.35Å; F14-M18 PolarHBondContact O-N 2.89Å |
| 15 | G | 85.3 | Confident | 82.9 | Confident | 36 Ų | 36 | 88.1 Ų | 88.1 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | V11 F17 M18 V19 | V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 2.55Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 2.84Å; G15-M18 PolarHBondContact O-N 3.09Å; G15-M18 VanDerWaalsContact O-N 3.15Å; G15-V19 WeakPolarHBondContact O-CG2 3.36Å; G15-V19 PolarHBondContact O-N 2.82Å |
| 16 | G | 86.4 | Confident | 83.7 | Confident | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V12 M18 V19 V20 | V12-G16 PolarHBondContact O-N 3.39Å; G16-M18 PolarHBondContact O-N 2.97Å; G16-V19 PolarHBondContact O-N 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.19Å; G16-V20 PolarHBondContact O-N 3.05Å |
| 17 | F | 89.1 | Confident | 84.6 | Confident | 136 Ų | 136 | 91.6 Ų | 91.6 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 174.5 | -177 | -99.3 | 0 | 0 | 0 | 112.7 | V13 F14 G15 S21 | V13-F17 WeakPolarHBondContact O-CB 3.34Å; V13-F17 PolarHBondContact O-N 2.97Å; F14-F17 PolarHBondContact O-N 3.25Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 2.84Å; F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 WeakPolarHBondContact O-CB 3.44Å; F17-S21 PolarHBondContact O-N 3.36Å; F17-S21 PolarHBondContact O-OG 3.33Å |
| 18 | M | 92 | Very high | 85 | Confident | 124 Ų | 124 | 88.7 Ų | 88.7 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 173.6 | -85.1 | -155.2 | 164.6 | 0 | 0 | 112.7 | F14 G15 G16 S21 A22 | F14-M18 HydrophobicContact CE1-CE 4.35Å; F14-M18 PolarHBondContact O-N 2.89Å; G15-M18 PolarHBondContact O-N 3.09Å; G15-M18 VanDerWaalsContact O-N 3.15Å; G16-M18 PolarHBondContact O-N 2.97Å; M18-S21 PolarHBondContact O-N 2.91Å; M18-A22 WeakPolarHBondContact O-CB 3Å; M18-A22 PolarHBondContact O-N 2.82Å |
| 19 | V | 90.5 | Very high | 85.1 | Confident | 88 Ų | 88 | 87.9 Ų | 87.9 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 177.4 | 173 | 0 | 0 | 0 | 0 | 111 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.36Å; G15-V19 PolarHBondContact O-N 2.82Å; G16-V19 PolarHBondContact O-N 3.31Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 2.83Å; V19-A22 PolarHBondContact O-N 3Å; V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CG1 3.43Å; V19-I23 PolarHBondContact O-N 2.91Å |
| 20 | V | 91.6 | Very high | 85.3 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | G16 G24 | G16-V20 WeakPolarHBondContact O-CG2 3.19Å; G16-V20 PolarHBondContact O-N 3.05Å; V20-G24 PolarHBondContact O-N 2.92Å |
| 21 | S | 90.3 | Very high | 85 | Confident | 39 Ų | 39 | 91.7 Ų | 91.7 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.5 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 WeakPolarHBondContact O-CB 3.44Å; F17-S21 PolarHBondContact O-N 3.36Å; F17-S21 PolarHBondContact O-OG 3.33Å; M18-S21 PolarHBondContact O-N 2.91Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 2.83Å; S21-G24 PolarHBondContact O-N 3.44Å; S21-I25 WeakPolarHBondContact O-CB 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.4Å; S21-I25 PolarHBondContact O-N 2.98Å |
| 22 | A | 91.2 | Very high | 84.5 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M18 V19 I25 F26 | M18-A22 WeakPolarHBondContact O-CB 3Å; M18-A22 PolarHBondContact O-N 2.82Å; V19-A22 PolarHBondContact O-N 3Å; A22-I25 PolarHBondContact O-N 2.86Å; A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 3.01Å |
| 23 | I | 91.8 | Very high | 83.6 | Confident | 95 Ų | 95 | 91.4 Ų | 91.4 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 174.4 | -65.9 | 166.3 | 0 | 0 | 0 | 110.5 | V19 I25 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CG1 3.43Å; V19-I23 PolarHBondContact O-N 2.91Å; I23-I25 PolarHBondContact O-N 2.92Å; I23-F26 PolarHBondContact O-N 2.89Å; I23-L27 HydrophobicContact CG2-CD1 3.96Å; I23-L27 HydrophobicContact CG2-CG 4.38Å; I23-L27 WeakPolarHBondContact O-CB 2.96Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 2.83Å |
| 24 | G | 91.6 | Very high | 82.3 | Confident | 32 Ų | 32 | 94.5 Ų | 94.5 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V20 S21 V28 | V20-G24 PolarHBondContact O-N 2.92Å; S21-G24 PolarHBondContact O-N 3.44Å; G24-V28 WeakPolarHBondContact O-CB 3.32Å; G24-V28 VanDerWaalsContact O-CG2 3.3Å; G24-V28 WeakPolarHBondContact O-CG2 3.42Å; G24-V28 PolarHBondContact O-N 3.05Å |
| 25 | I | 88.3 | Confident | 81.1 | Confident | 114 Ų | 114 | 94.5 Ų | 94.5 | 59% | 0.585 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 175.9 | -68.8 | 164.3 | 0 | 0 | 0 | 111 | S21 A22 I23 S29 | S21-I25 WeakPolarHBondContact O-CB 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.4Å; S21-I25 PolarHBondContact O-N 2.98Å; A22-I25 PolarHBondContact O-N 2.86Å; I23-I25 PolarHBondContact O-N 2.92Å; I25-S29 VanDerWaalsContact O-CB 3.29Å; I25-S29 WeakPolarHBondContact O-CB 3.43Å; I25-S29 PolarHBondContact O-N 3.41Å; I25-S29 PolarHBondContact O-OG 3.14Å |
| 26 | F | 86.3 | Confident | 79.9 | Confident | 145 Ų | 145 | 97.4 Ų | 97.4 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.8 | -50.8 | 177.1 | -171.4 | -94.6 | 0 | 0 | 0 | 111 | A22 I23 V28 S29 T30 | A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 3.01Å; I23-F26 PolarHBondContact O-N 2.89Å; F26-V28 PolarHBondContact O-N 3.19Å; F26-S29 PolarHBondContact O-N 3.21Å; F26-T30 WeakPolarHBondContact O-CB 3.39Å; F26-T30 PolarHBondContact O-N 3.24Å; F26-T30 PolarHBondContact O-OG1 2.97Å |
| 27 | L | 84.7 | Confident | 78.9 | Confident | 111 Ų | 111 | 99.1 Ų | 99.1 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.7 | -45.1 | 177.3 | -70.4 | 173.1 | 0 | 0 | 0 | 112.5 | I23 S29 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 3.96Å; I23-L27 HydrophobicContact CG2-CG 4.38Å; I23-L27 WeakPolarHBondContact O-CB 2.96Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 2.83Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.7Å; L27-T30 PolarHBondContact O-N 3.41Å; L27-F31 WeakPolarHBondContact O-CB 3.43Å; L27-F31 PolarHBondContact O-N 2.89Å |
| 28 | V | 81 | Confident | 77.8 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | G24 F26 S32 | G24-V28 WeakPolarHBondContact O-CB 3.32Å; G24-V28 VanDerWaalsContact O-CG2 3.3Å; G24-V28 WeakPolarHBondContact O-CG2 3.42Å; G24-V28 PolarHBondContact O-N 3.05Å; F26-V28 PolarHBondContact O-N 3.19Å; V28-S32 VanDerWaalsContact O-CB 3.3Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.86Å; V28-S32 PolarHBondContact O-OG 3.17Å |
| 29 | S | 74.3 | Confident | 76.7 | Confident | 54 Ų | 54 | 101.4 Ų | 101.4 | 38% | 0.378 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.7 | -46.4 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | I25 F26 L27 F31 S32 M33 | I25-S29 VanDerWaalsContact O-CB 3.29Å; I25-S29 WeakPolarHBondContact O-CB 3.43Å; I25-S29 PolarHBondContact O-N 3.41Å; I25-S29 PolarHBondContact O-OG 3.14Å; F26-S29 PolarHBondContact O-N 3.21Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.7Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 PolarHBondContact O-N 3.25Å; S29-S32 PolarHBondContact O-N 3.49Å; S29-M33 WeakPolarHBondContact O-CB 3.43Å; S29-M33 VanDerWaalsContact O-CG 3.28Å; S29-M33 WeakPolarHBondContact O-CG 3.43Å; S29-M33 PolarHBondContact O-N 2.93Å |
| 30 | T | 77.1 | Confident | 75.8 | Confident | 71 Ų | 71 | 103.2 Ų | 103.2 | 44% | 0.436 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 176.5 | -56.2 | 0 | 0 | 0 | 0 | 112 | F26 L27 K34 | F26-T30 WeakPolarHBondContact O-CB 3.39Å; F26-T30 PolarHBondContact O-N 3.24Å; F26-T30 PolarHBondContact O-OG1 2.97Å; L27-T30 PolarHBondContact O-N 3.41Å; T30-K34 PolarHBondContact O-N 3.27Å |
| 31 | F | 68.9 | Low | 75.2 | Confident | 141 Ų | 141 | 101 Ų | 101 | 62% | 0.618 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.1 | -44.8 | 177.1 | -153.5 | -84.9 | 0 | 0 | 0 | 111.9 | L27 S29 M33 K34 E35 | L27-F31 WeakPolarHBondContact O-CB 3.43Å; L27-F31 PolarHBondContact O-N 2.89Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 PolarHBondContact O-N 3.25Å; F31-M33 VanDerWaalsContact C-N 3.33Å; F31-M33 PolarHBondContact O-N 2.81Å; F31-K34 WeakPolarHBondContact O-CB 3.4Å; F31-K34 PolarHBondContact O-N 3.44Å; F31-E35 HydrophobicContact CE1-CG 4.49Å; F31-E35 PolarHBondContact O-N 2.95Å |
| 32 | S | 67.7 | Low | 74.6 | Confident | 68 Ų | 68 | 101.7 Ų | 101.7 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 178 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | V28 S29 K34 E35 T36 | V28-S32 VanDerWaalsContact O-CB 3.3Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.86Å; V28-S32 PolarHBondContact O-OG 3.17Å; S29-S32 PolarHBondContact O-N 3.49Å; S32-K34 PolarHBondContact O-N 2.82Å; S32-E35 PolarHBondContact O-N 2.85Å; S32-T36 PolarHBondContact O-N 3.25Å; S32-T36 PolarHBondContact O-OG1 3.34Å |
| 33 | M | 61.6 | Low | 74.1 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.3 | -31 | 173.3 | -75.5 | 177.3 | 173.8 | 0 | 0 | 112.5 | S29 F31 T36 S37 | S29-M33 WeakPolarHBondContact O-CB 3.43Å; S29-M33 VanDerWaalsContact O-CG 3.28Å; S29-M33 WeakPolarHBondContact O-CG 3.43Å; S29-M33 PolarHBondContact O-N 2.93Å; F31-M33 VanDerWaalsContact C-N 3.33Å; F31-M33 PolarHBondContact O-N 2.81Å; M33-T36 PolarHBondContact O-OG1 2.99Å; M33-S37 PolarHBondContact O-N 2.83Å |
| 34 | K | 56 | Low | 73.5 | Confident | 163 Ų | 163 | 100.2 Ų | 100.2 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74 | -36.7 | -178.5 | -136.2 | 172.3 | -172.7 | 176.9 | 0 | 112.6 | T30 F31 S32 S37 | T30-K34 PolarHBondContact O-N 3.27Å; F31-K34 WeakPolarHBondContact O-CB 3.4Å; F31-K34 PolarHBondContact O-N 3.44Å; S32-K34 PolarHBondContact O-N 2.82Å; K34-S37 PolarHBondContact O-N 3.12Å |
| 35 | E | 57.8 | Low | 72.8 | Confident | 140 Ų | 140 | 103.8 Ų | 103.8 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | 176 | -64.9 | -161.9 | 158.1 | 0 | 0 | 112.3 | F31 S32 S37 Y38 | F31-E35 HydrophobicContact CE1-CG 4.49Å; F31-E35 PolarHBondContact O-N 2.95Å; S32-E35 PolarHBondContact O-N 2.85Å; E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 2.96Å; E35-Y38 PolarHBondContact O-N 2.84Å |
| 36 | T | 59.8 | Low | 72.4 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -32.5 | 173.8 | 43.1 | 0 | 0 | 0 | 0 | 113.2 | S32 M33 Y38 E40 | S32-T36 PolarHBondContact O-N 3.25Å; S32-T36 PolarHBondContact O-OG1 3.34Å; M33-T36 PolarHBondContact O-OG1 2.99Å; T36-Y38 VanDerWaalsContact C-N 3.31Å; T36-Y38 PolarHBondContact O-N 2.82Å; T36-E40 PolarHBondContact O-N 3.07Å |
| 37 | S | 65.6 | Low | 72.1 | Confident | 73 Ų | 73 | 106 Ų | 106 | 51% | 0.51 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.5 | -27.7 | -179.2 | -174.1 | 0 | 0 | 0 | 0 | 113.6 | M33 K34 E35 A41 | M33-S37 PolarHBondContact O-N 2.83Å; K34-S37 PolarHBondContact O-N 3.12Å; E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 2.96Å; S37-A41 WeakPolarHBondContact O-CB 3.39Å; S37-A41 PolarHBondContact O-N 2.83Å |
| 38 | Y | 66.3 | Low | 71.8 | Confident | 169 Ų | 169 | 106.8 Ų | 106.8 | 66% | 0.663 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78.7 | -42.9 | -173.8 | -169.6 | -100.1 | 0 | 0 | 0 | 112.5 | E35 T36 E40 A41 L42 | E35-Y38 PolarHBondContact O-N 2.84Å; T36-Y38 VanDerWaalsContact C-N 3.31Å; T36-Y38 PolarHBondContact O-N 2.82Å; Y38-E40 VanDerWaalsContact C-N 3.35Å; Y38-A41 PolarHBondContact O-N 2.91Å; Y38-L42 HydrophobicContact CD1-CD1 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.67Å; Y38-L42 PolarHBondContact O-N 2.89Å; Y38-L42 VanDerWaalsContact O-N 3.1Å |
| 39 | E | 67.8 | Low | 71.3 | Confident | 139 Ų | 139 | 108 Ų | 108 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 170.6 | -92.1 | -71.8 | 134.9 | 0 | 0 | 111.4 | L42 A43 | E39-L42 PolarHBondContact O-N 3.14Å; E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 2.85Å |
| 40 | E | 72.6 | Confident | 71.2 | Confident | 125 Ų | 125 | 108 Ų | 108 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68 | -35.1 | 177.3 | -176.3 | 160 | -158.3 | 0 | 0 | 112.7 | T36 Y38 A43 N44 | T36-E40 PolarHBondContact O-N 3.07Å; Y38-E40 VanDerWaalsContact C-N 3.35Å; E40-A43 PolarHBondContact O-N 3.03Å; E40-N44 WeakPolarHBondContact O-CB 3.44Å; E40-N44 PolarHBondContact O-N 2.9Å; E40-N44 PolarHBondContact O-ND2 2.95Å |
| 41 | A | 78 | Confident | 70.8 | Confident | 54 Ų | 54 | 111.5 Ų | 111.5 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -46.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S37 Y38 A43 N44 Q45 | S37-A41 WeakPolarHBondContact O-CB 3.39Å; S37-A41 PolarHBondContact O-N 2.83Å; Y38-A41 PolarHBondContact O-N 2.91Å; A41-A43 VanDerWaalsContact C-N 3.31Å; A41-A43 PolarHBondContact O-N 3.12Å; A41-N44 PolarHBondContact O-N 2.85Å; A41-Q45 PolarHBondContact O-N 2.88Å |
| 42 | L | 77.6 | Confident | 70.5 | Confident | 54 Ų | 54 | 109.6 Ų | 109.6 | 28% | 0.283 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -36.2 | 174.1 | -88.8 | 163.6 | 0 | 0 | 0 | 112.8 | Y38 E39 R46 | Y38-L42 HydrophobicContact CD1-CD1 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.67Å; Y38-L42 PolarHBondContact O-N 2.89Å; Y38-L42 VanDerWaalsContact O-N 3.1Å; E39-L42 PolarHBondContact O-N 3.14Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 2.85Å |
| 43 | A | 80.4 | Confident | 70 | Confident | 53 Ų | 53 | 114.2 Ų | 114.2 | 44% | 0.438 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.9 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E39 E40 A41 K47 | E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 2.85Å; E40-A43 PolarHBondContact O-N 3.03Å; A41-A43 VanDerWaalsContact C-N 3.31Å; A41-A43 PolarHBondContact O-N 3.12Å; A43-K47 WeakPolarHBondContact O-CB 2.99Å; A43-K47 PolarHBondContact O-N 3.49Å; A43-K47 VanDerWaalsContact O-N 3.17Å |
| 44 | N | 79 | Confident | 69.7 | Low | 68 Ų | 68 | 114.8 Ų | 114.8 | 36% | 0.364 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.3 | -39 | 178.8 | -82.1 | -39.2 | 0 | 0 | 0 | 112.7 | E40 A41 R46 K47 E48 | E40-N44 WeakPolarHBondContact O-CB 3.44Å; E40-N44 PolarHBondContact O-N 2.9Å; E40-N44 PolarHBondContact O-ND2 2.95Å; A41-N44 PolarHBondContact O-N 2.85Å; N44-R46 VanDerWaalsContact C-N 3.32Å; N44-R46 PolarHBondContact O-N 3.44Å; N44-K47 CarbonylContact O-C 3.53Å; N44-K47 WeakPolarHBondContact O-CA 3.39Å; N44-K47 WeakPolarHBondContact O-CB 3.34Å; N44-K47 PolarHBondContact O-N 2.83Å; N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.64Å |
| 45 | Q | 78.9 | Confident | 69.4 | Low | 107 Ų | 107 | 115.5 Ų | 115.5 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.4 | -42.8 | 174.9 | -168.6 | -164 | 55.2 | 0 | 0 | 111.9 | A41 K47 E48 M49 | A41-Q45 PolarHBondContact O-N 2.88Å; Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 2.76Å; Q45-E48 PolarHBondContact O-N 3.45Å; Q45-M49 HydrophobicContact CG-CE 4.29Å; Q45-M49 PolarHBondContact O-N 2.83Å |
| 46 | R | 78.8 | Confident | 68.5 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 67% | 0.672 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -34 | 174.3 | -70.8 | 173.3 | 176.4 | 162.8 | 2.2 | 112.8 | L42 N44 A50 | L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 2.85Å; N44-R46 VanDerWaalsContact C-N 3.32Å; N44-R46 PolarHBondContact O-N 3.44Å; R46-A50 PolarHBondContact O-N 2.89Å |
| 47 | K | 80.5 | Confident | 67.5 | Low | 129 Ų | 129 | 116.2 Ų | 116.2 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.4 | -27 | 178.7 | -166.8 | -177.7 | -177.4 | -174.9 | 0 | 112.2 | A43 N44 Q45 K51 | A43-K47 WeakPolarHBondContact O-CB 2.99Å; A43-K47 PolarHBondContact O-N 3.49Å; A43-K47 VanDerWaalsContact O-N 3.17Å; N44-K47 CarbonylContact O-C 3.53Å; N44-K47 WeakPolarHBondContact O-CA 3.39Å; N44-K47 WeakPolarHBondContact O-CB 3.34Å; N44-K47 PolarHBondContact O-N 2.83Å; Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 2.76Å; K47-K51 WeakPolarHBondContact O-CG 2.93Å; K47-K51 PolarHBondContact O-N 2.65Å |
| 48 | E | 77.2 | Confident | 66.1 | Low | 127 Ų | 127 | 122.1 Ų | 122.1 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.5 | -46.2 | 174.3 | -175.2 | 163.9 | -129.3 | 0 | 0 | 111.7 | N44 Q45 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.64Å; Q45-E48 PolarHBondContact O-N 3.45Å; E48-A50 PolarHBondContact O-N 3.33Å; E48-K51 WeakPolarHBondContact O-CA 3.27Å; E48-K51 WeakPolarHBondContact O-CB 3.48Å; E48-K51 PolarHBondContact O-N 2.95Å; E48-T52 PolarHBondContact O-N 3.39Å |
| 49 | M | 71.5 | Confident | 64.6 | Low | 120 Ų | 120 | 124 Ų | 124 | 59% | 0.591 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.8 | -25.9 | 169.9 | -73.7 | -165 | -87.4 | 0 | 0 | 113.1 | Q45 T52 | Q45-M49 HydrophobicContact CG-CE 4.29Å; Q45-M49 PolarHBondContact O-N 2.83Å; M49-T52 PolarHBondContact O-OG1 3.34Å |
| 50 | A | 73.1 | Confident | 63 | Low | 55 Ų | 55 | 126.8 Ų | 126.8 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.2 | -23.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R46 E48 | R46-A50 PolarHBondContact O-N 2.89Å; E48-A50 PolarHBondContact O-N 3.33Å |
| 51 | K | 68.3 | Low | 61.2 | Low | 143 Ų | 143 | 129.9 Ų | 129.9 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.7 | -39.2 | 176.8 | -80 | 177.8 | 173.5 | -174 | 0 | 112.7 | K47 E48 H53 H54 Q55 | K47-K51 WeakPolarHBondContact O-CG 2.93Å; K47-K51 PolarHBondContact O-N 2.65Å; E48-K51 WeakPolarHBondContact O-CA 3.27Å; E48-K51 WeakPolarHBondContact O-CB 3.48Å; E48-K51 PolarHBondContact O-N 2.95Å; K51-H53 PolarHBondContact O-N 3.23Å; K51-H54 WeakPolarHBondContact O-CA 3.32Å; K51-H54 PolarHBondContact O-N 3.14Å; K51-Q55 PolarHBondContact O-N 3.25Å; K51-Q55 VanDerWaalsContact O-N 3.11Å |
| 52 | T | 62.2 | Low | 59.2 | Low | 101 Ų | 101 | 136.3 Ų | 136.3 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.4 | -36.3 | 178.2 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | E48 M49 H54 | E48-T52 PolarHBondContact O-N 3.39Å; M49-T52 PolarHBondContact O-OG1 3.34Å; T52-H54 PolarHBondContact O-N 3.33Å |
| 53 | H | 57.3 | Low | 57.1 | Low | 165 Ų | 165 | 142.1 Ų | 142.1 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -16.6 | 173.2 | -155.9 | -57.9 | 0 | 0 | 0 | 113.9 | K51 | K51-H53 PolarHBondContact O-N 3.23Š|
| 54 | H | 54.1 | Low | 55 | Low | 150 Ų | 150 | 148.4 Ų | 148.4 | 69% | 0.694 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -20.5 | 179.5 | -99 | -69.7 | 0 | 0 | 0 | 114.7 | K51 T52 K56 G57 | K51-H54 WeakPolarHBondContact O-CA 3.32Å; K51-H54 PolarHBondContact O-N 3.14Å; T52-H54 PolarHBondContact O-N 3.33Å; H54-K56 PolarHBondContact O-N 3.38Å; H54-K56 VanDerWaalsContact O-N 3.14Å; H54-G57 PolarHBondContact O-N 3.01Å |
| 55 | Q | 50.2 | Low | 52.7 | Low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -6.9 | 177.5 | -91.7 | -165 | 1.4 | 0 | 0 | 114.9 | K51 G57 | K51-Q55 PolarHBondContact O-N 3.25Å; K51-Q55 VanDerWaalsContact O-N 3.11Å; Q55-G57 PolarHBondContact O-N 2.84Å |
| 56 | K | 40.2 | Very low | 50.8 | Low | 211 Ų | 211 | 151.9 Ų | 151.9 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 4.6 | 166.3 | -148.6 | 173.4 | -176.7 | 177.6 | 0 | 113.2 | H54 | H54-K56 PolarHBondContact O-N 3.38Å; H54-K56 VanDerWaalsContact O-N 3.14Å |
| 57 | G | 38.1 | Very low | 48.7 | Very low | 42 Ų | 42 | 151.7 Ų | 151.7 | 43% | 0.433 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -121.9 | 133 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | H54 Q55 | H54-G57 PolarHBondContact O-N 3.01Å; Q55-G57 PolarHBondContact O-N 2.84Å |
| 58 | E | 35.2 | Very low | 46.5 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | trans | 62.5 | 67.1 | 153.5 | -54.2 | -166.4 | 100.1 | 0 | 0 | 118.9 | K60 | E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.18Å | ||
| 59 | K | 34.8 | Very low | 44.1 | Very low | 208 Ų | 208 | 157.4 Ų | 157.4 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | -57.5 | 94.5 | 141.6 | -82.4 | -177 | 174.7 | 177.5 | 0 | 109.7 | ||||
| 60 | K | 35.4 | Very low | 42.2 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -169.9 | 116.3 | 146.9 | -106.1 | 151.3 | -171.5 | 176.3 | 0 | 115.7 | E58 | E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.18Å | ||
| 61 | K | 34.5 | Very low | 40.2 | Very low | 190 Ų | 190 | 162 Ų | 162 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | 91 | 117.6 | 133.4 | -147.4 | 166 | -171.7 | 175.2 | 0 | 119.3 | ||||
| 62 | K | 35.7 | Very low | 38.8 | Very low | 190 Ų | 190 | 161.9 Ų | 161.9 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 75.7 | 72.6 | 158.4 | -73.6 | -176.3 | 171.1 | -172.5 | 0 | 120.2 | ||||
| 63 | E | 34.1 | Very low | 37.4 | Very low | 176 Ų | 176 | 166.1 Ų | 166.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | -65.3 | 137 | 126.9 | -124.7 | 156 | 173.1 | 0 | 0 | 107.6 | |||||
| 64 | K | 35.4 | Very low | 36.2 | Very low | 185 Ų | 185 | 165.8 Ų | 165.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 55.7 | 98.3 | 59.6 | -70.6 | -172.8 | 179.1 | -176.1 | 0 | 110.8 | |||||
| 65 | T | 32.2 | Very low | 35.4 | Very low | 125 Ų | 125 | 167.6 Ų | 167.6 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | cis | 78.9 | 99.9 | 22.9 | -35.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 66 | V | 37.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 166.2 Ų | 166.2 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | 71.6 | 106.8 | 154.4 | 178.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 67 | E | 34.5 | Very low | 34.6 | Very low | 173 Ų | 173 | 164.5 Ų | 164.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | -118.3 | 122.1 | 123.1 | -67.1 | -145.1 | 97.7 | 0 | 0 | 107.7 | |||||
| 68 | K | 34.2 | Very low | 34.4 | Very low | 171 Ų | 171 | 172 Ų | 172 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | 50.9 | 101 | 103.1 | -67.1 | 179.4 | 178 | 172.9 | 0 | 113.1 | |||||
| 69 | K | 27.8 | Very low | 34.7 | Very low | 206 Ų | 206 | 168.1 Ų | 168.1 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | cis | 73.1 | 91.4 | 41.4 | -162 | -172 | -178.6 | 178.8 | 0 | 113.7 | ||||
| 70 | G | 30.8 | Very low | 34.6 | Very low | 73 Ų | 73 | 165 Ų | 165 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 147 | 90.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 71 | K | 31.9 | Very low | 34.6 | Very low | 199 Ų | 199 | 159.3 Ų | 159.3 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | 97.7 | 81.3 | 52.1 | -82.4 | -163.4 | 167.6 | -169.8 | 0 | 113.7 | |||||
| 72 | T | 37.7 | Very low | 34.6 | Very low | 140 Ų | 140 | 158.5 Ų | 158.5 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -162.6 | 124.4 | 141.5 | 9.5 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 73 | K | 33 | Very low | 34.5 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | cis | 56.9 | 127.3 | 33.3 | -91.3 | -163.2 | 175.1 | -169.6 | 0 | 112.2 | ||||
| 74 | K | 33.4 | Very low | 34.7 | Very low | 158 Ų | 158 | 153 Ų | 153 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -162 | 127.9 | -1.5 | -169.6 | -160.8 | -176.8 | -150.5 | 0 | 110.5 | E76 | K74-E76 WeakPolarHBondContact CE-OE2 3.28Å; K74-E76 IonicContact NZ-OE2 2.63Å; K74-E76 PolarHBondContact NZ-OE2 3.04Å; K74-E76 VanDerWaalsContact NZ-OE2 3.1Å | ||
| 75 | K | 36.6 | Very low | 34.5 | Very low | 189 Ų | 189 | 153 Ų | 153 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -154.2 | 147.2 | 141.2 | -154.4 | -176 | 178.2 | -160.9 | 0 | 108.3 | ||||
| 76 | E | 35.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | trans | -107.3 | 135.2 | 178.8 | -70.2 | 156.7 | 85.6 | 0 | 0 | 108.5 | K74 | K74-E76 WeakPolarHBondContact CE-OE2 3.28Å; K74-E76 IonicContact NZ-OE2 2.63Å; K74-E76 PolarHBondContact NZ-OE2 3.04Å; K74-E76 VanDerWaalsContact NZ-OE2 3.1Å | ||
| 77 | E | 37.9 | Very low | 34.3 | Very low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -148.7 | 129.1 | 160.8 | -152 | 166.5 | 137.3 | 0 | 0 | 109.1 | ||||
| 78 | K | 34 | Very low | 34.5 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -161.3 | 154.6 | -176.8 | -80.5 | -170.5 | 179.3 | -179.7 | 0 | 106.4 | ||||
| 79 | P | 41.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -134.3 | 150.7 | 19.7 | 39.9 | -23.2 | 0 | 0 | 0 | 117.2 | ||||
| 80 | N | 33 | Very low | 34.5 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 36.1 | 95.6 | 130.9 | -171.2 | 68.1 | 0 | 0 | 0 | 119.5 | ||||
| 81 | G | 36.2 | Very low | 34.5 | Very low | 79 Ų | 79 | 154.1 Ų | 154.1 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -118.1 | 145.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 82 | K | 33.5 | Very low | 34.6 | Very low | 173 Ų | 173 | 151 Ų | 151 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -111.6 | 142.5 | -179 | -80.6 | -174.5 | 176 | -177.8 | 0 | 111.8 | ||||
| 83 | I | 33.1 | Very low | 34.3 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 67% | 0.672 | 78% | 0.78 | S | S | * | * | trans | 27.9 | 113 | 139.4 | -40 | 167.4 | 0 | 0 | 0 | 115.2 | E85 | I83-E85 HydrophobicContact CG2-CG 4.06Š| ||
| 84 | P | 39.2 | Very low | 34.6 | Very low | 121 Ų | 121 | 148 Ų | 148 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | -103.7 | 137 | 102.7 | -20.7 | 35 | 0 | 0 | 0 | 113.8 | |||||
| 85 | E | 30.3 | Very low | 34.6 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -79 | 141.7 | 148.3 | -67.3 | 175.1 | 150 | 0 | 0 | 106.3 | I83 | I83-E85 HydrophobicContact CG2-CG 4.06Š| ||
| 86 | H | 36.9 | Very low | 34.2 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -139.3 | 127.2 | 175.4 | -158.1 | -64.9 | 0 | 0 | 0 | 108.6 | ||||
| 87 | D | 29.8 | Very low | 34 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -60.1 | 149.9 | 174.6 | -65.9 | -85.4 | 0 | 0 | 0 | 111.3 | ||||
| 88 | L | 37.5 | Very low | 33.6 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -125.4 | 118.9 | 168.6 | -73.2 | 176.3 | 0 | 0 | 0 | 108.2 | ||||
| 89 | D | 32.7 | Very low | 33.8 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -66.9 | 147.3 | -164.7 | -70.7 | -80.1 | 0 | 0 | 0 | 115.5 | N91 | D89-N91 PolarHBondContact O-N 2.82Å; D89-N91 VanDerWaalsContact O-N 3.12Å | ||
| 90 | P | 30.1 | Very low | 33.3 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -84.9 | 80.5 | -179.2 | 35.1 | -36 | 0 | 0 | 0 | 112.4 | ||||
| 91 | N | 31 | Very low | 33 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -147.3 | 85.3 | 168 | -160.2 | -1.9 | 0 | 0 | 0 | 115.7 | D89 | D89-N91 PolarHBondContact O-N 2.82Å; D89-N91 VanDerWaalsContact O-N 3.12Å | ||
| 92 | V | 34 | Very low | 32.9 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -132.8 | 104.9 | 155.2 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | I94 | V92-I94 PolarHBondContact O-N 2.97Š| ||
| 93 | T | 30.4 | Very low | 32.7 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 115.4 | 176.2 | -50.6 | 0 | 0 | 0 | 0 | 111 | I95 | T93-I95 HydrophobicContact CG2-CG1 4.33Š| ||
| 94 | I | 39.3 | Very low | 32.5 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -98.3 | 115 | 165 | -63.2 | -176.3 | 0 | 0 | 0 | 108.5 | V92 L96 | V92-I94 PolarHBondContact O-N 2.97Å; I94-L96 PolarHBondContact O-N 3.13Å | ||
| 95 | I | 34 | Very low | 32.3 | Very low | 139 Ų | 139 | 148.4 Ų | 148.4 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 124 | -169.9 | -62.6 | 175.3 | 0 | 0 | 0 | 111 | T93 | T93-I95 HydrophobicContact CG2-CG1 4.33Š| ||
| 96 | L | 27.6 | Very low | 32.3 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 129.2 | 171.3 | -163.9 | 163.2 | 0 | 0 | 0 | 109.3 | I94 E98 | I94-L96 PolarHBondContact O-N 3.13Å; L96-E98 HydrophobicContact CD2-CG 4.43Å | ||
| 97 | K | 32.1 | Very low | 32.1 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -122.4 | 133.6 | 170.5 | -107 | 176.9 | 174.9 | 175.3 | 0 | 110.5 | ||||
| 98 | E | 29.3 | Very low | 32.2 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81 | 141.8 | -160.5 | -61.5 | 171.8 | 100.6 | 0 | 0 | 114.3 | L96 | L96-E98 HydrophobicContact CD2-CG 4.43Š|
| 99 | P | 38.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 139.9 | 165.7 | -11.5 | 28.4 | 0 | 0 | 0 | 112.2 | ||
| 100 | V | 31.9 | Very low | 32.2 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 141 | -177.1 | 179 | 0 | 0 | 0 | 0 | 113 | ||
| 101 | R | 25.7 | Very low | 32.2 | Very low | 236 Ų | 236 | 135.8 Ų | 135.8 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 147.1 | -178 | -43.7 | 171.5 | -168.8 | -161.7 | 0.4 | 114.3 | ||
| 102 | V | 34.1 | Very low | 32.4 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -150 | 129.9 | 146.3 | -106.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 103 | S | 29.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 31.3 | 122.2 | 161.8 | -151 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 104 | A | 28.6 | Very low | 32.6 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 155.1 | 159 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 105 | V | 35.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -136.6 | 109 | 160.4 | -180 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 106 | A | 31 | Very low | 32.9 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -94.2 | 116.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 107 | V | 32.8 | Very low | 33.4 | Very low | 136 Ų | 136 | 128 Ų | 128 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -139.4 | 126.4 | 165.6 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 108 | A | 31.7 | Very low | 33.8 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -120.6 | 172.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 109 | P | 34.6 | Very low | 34.3 | Very low | 108 Ų | 108 | 112.9 Ų | 112.9 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | -127.9 | -170.1 | -126.1 | 35.1 | -15.5 | 0 | 0 | 0 | 116.1 | |||||
| 110 | T | 34.5 | Very low | 34.6 | Very low | 141 Ų | 141 | 106.9 Ų | 106.9 | 87% | 0.865 | 66% | 0.663 | S | S | * | * | trans | 73.9 | 165.5 | 170.7 | 76.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 111 | S | 31.5 | Very low | 35.2 | Very low | 103 Ų | 103 | 100.6 Ų | 100.6 | 72% | 0.72 | 63% | 0.625 | S | S | * | * | cis | -167.9 | 178.7 | -41.8 | -160.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 112 | V | 34.5 | Very low | 35.9 | Very low | 123 Ų | 123 | 90.7 Ų | 90.7 | 75% | 0.745 | 59% | 0.593 | S | S | * | * | cis | -148.6 | 166.3 | 8.8 | -145.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 113 | H | 34.6 | Very low | 36.2 | Very low | 171 Ų | 171 | 89.7 Ų | 89.7 | 79% | 0.792 | 59% | 0.588 | S | S | * | * | trans | 8.3 | 134.2 | 149.7 | -89.6 | -133.9 | 0 | 0 | 0 | 123.7 | ||||
| 114 | S | 33.4 | Very low | 36.6 | Very low | 121 Ų | 121 | 89.5 Ų | 89.5 | 85% | 0.846 | 58% | 0.582 | S | S | * | * | 177.1 | 177.3 | 106 | -80.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 115 | S | 36.5 | Very low | 37 | Very low | 119 Ų | 119 | 91.1 Ų | 91.1 | 83% | 0.832 | 58% | 0.584 | S | S | * | * | trans | -146.6 | -161.8 | -162.4 | -168.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 116 | V | 42.7 | Very low | 37 | Very low | 107 Ų | 107 | 88.8 Ų | 88.8 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | trans | 89.6 | 145.3 | -175.2 | -173.9 | 0 | 0 | 0 | 0 | 113.5 | H118 Q707 | V116-H118 WeakPolarHBondContact CG1-NE2 3.18Å; V116-Q707 PolarHBondContact O-NE2 3.27Å | ||
| 117 | G | 38.6 | Very low | 37.1 | Very low | 15 Ų | 15 | 91.2 Ų | 91.2 | 16% | 0.155 | 57% | 0.574 | C | S | . | * | cis | 166 | 165.2 | 6.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | G705 Q707 | G117-G705 CarbonylContact C-O 3.54Å; G117-G705 VanDerWaalsContact C-O 3.29Å; G117-G705 CarbonylContact O-C 3.44Å; G117-G705 WeakPolarHBondContact O-CA 3.35Å; G117-Q707 PolarHBondContact O-NE2 3.33Å | ||
| 118 | H | 40 | Very low | 37.1 | Very low | 48 Ų | 48 | 90.9 Ų | 90.9 | 22% | 0.222 | 58% | 0.575 | C | S | . | * | cis | 178.6 | -139.8 | 47.6 | -38.2 | 115.6 | 0 | 0 | 0 | 113.6 | V116 E684 G685 A686 E704 G705 D724 | V116-H118 WeakPolarHBondContact CG1-NE2 3.18Å; H118-E684 CarbonylContact O-C 3.55Å; H118-G685 VanDerWaalsContact CA-N 3.31Å; H118-G685 CarbonylContact O-C 3.56Å; H118-G685 WeakPolarHBondContact O-CA 3Å; H118-G685 PolarHBondContact O-N 2.85Å; H118-A686 PolarHBondContact O-N 3.39Å; H118-E704 CarbonylContact C-O 3.54Å; H118-E704 VanDerWaalsContact C-O 3.29Å; H118-E704 HydrophobicContact CB-CB 3.31Å; H118-E704 HydrophobicContact CB-CG 4.46Å; H118-E704 WeakPolarHBondContact ND1-CB 3.37Å; H118-G705 PolarHBondContact N-O 2.9Å; H118-G705 VanDerWaalsContact ND1-CA 3.34Å; H118-G705 WeakPolarHBondContact ND1-CA 3.42Å; H118-G705 PolarHBondContact ND1-N 2.69Å; H118-D724 PolarHBondContact ND1-O 2.95Å | ||
| 119 | T | 41.4 | Very low | 37 | Very low | 0 Ų | 0 | 94.5 Ų | 94.5 | 0% | 0 | 58% | 0.577 | C | S | . | * | -80.5 | -110 | -119.8 | 75.9 | 0 | 0 | 0 | 0 | 129.4 | N678 G683 E684 N698 K702 A703 E704 | T119-N678 WeakPolarHBondContact O-CB 3.22Å; T119-N678 PolarHBondContact O-ND2 3.45Å; T119-G683 VanDerWaalsContact CB-CA 3.45Å; T119-G683 WeakPolarHBondContact CB-O 3.05Å; T119-G683 WeakPolarHBondContact CG2-O 3.33Å; T119-E684 HydrophobicContact CG2-CB 4.46Å; T119-E684 HydrophobicContact CG2-CG 4.08Å; T119-E684 PolarHBondContact O-N 3.34Å; T119-E684 VanDerWaalsContact O-O 3.1Å; T119-N698 VanDerWaalsContact C-OD1 3.3Å; T119-N698 PolarHBondContact N-ND2 2.96Å; T119-N698 PolarHBondContact O-OD1 2.86Å; T119-K702 PolarHBondContact OG1-O 3.05Å; T119-A703 WeakPolarHBondContact OG1-CA 3.34Å; T119-E704 HydrophobicContact CG2-CB 4.06Å; T119-E704 HydrophobicContact CG2-CG 4.4Å; T119-E704 WeakPolarHBondContact CG2-OE2 2.99Å; T119-E704 PolarHBondContact N-O 2.84Å; T119-E704 PolarHBondContact OG1-N 3.25Å | |||
| 120 | P | 44.5 | Very low | 36.9 | Very low | 0 Ų | 0 | 96.7 Ų | 96.7 | 0% | 0 | 58% | 0.578 | C | S | . | * | -151.5 | -165.3 | -113.8 | 54.3 | -40.2 | 0 | 0 | 0 | 125.8 | N678 G680 N698 Q699 K702 A703 | P120-N678 CarbonylContact C-O 3.57Å; P120-N678 VanDerWaalsContact C-O 3.32Å; P120-N678 CarbonylContact O-C 3.53Å; P120-G680 WeakPolarHBondContact CB-O 3.38Å; P120-N698 VanDerWaalsContact CD-CB 3.41Å; P120-N698 WeakPolarHBondContact CD-ND2 3.48Å; P120-N698 CarbonylContact O-C 3.31Å; P120-Q699 PolarHBondContact O-N 2.93Å; P120-K702 WeakPolarHBondContact CG-O 3.39Å; P120-A703 VanDerWaalsContact CG-CA 3.45Å; P120-A703 HydrophobicContact CG-CB 3.58Å | |||
| 121 | I | 43.7 | Very low | 36.7 | Very low | 8 Ų | 8 | 98.3 Ų | 98.3 | 4% | 0.041 | 57% | 0.573 | C | S | . | * | trans | 88.4 | 124.3 | 142.8 | -64.8 | 131.3 | 0 | 0 | 0 | 128.5 | Q679 G680 K681 Q699 G700 K701 K702 | I121-Q679 CarbonylContact C-O 3.59Å; I121-Q679 VanDerWaalsContact C-O 3.28Å; I121-Q679 VanDerWaalsContact N-C 3.31Å; I121-Q679 VanDerWaalsContact N-CA 3.34Å; I121-Q679 VanDerWaalsContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CG 3.28Å; I121-G680 VanDerWaalsContact CA-C 3.44Å; I121-G680 VanDerWaalsContact CA-N 3.31Å; I121-G680 VanDerWaalsContact CA-O 3.28Å; I121-G680 WeakPolarHBondContact CA-O 3.37Å; I121-G680 WeakPolarHBondContact CG1-O 3.29Å; I121-G680 PolarHBondContact N-O 3Å; I121-K681 WeakPolarHBondContact CD1-O 3.4Å; I121-K681 VanDerWaalsContact CG1-CA 3.41Å; I121-K681 WeakPolarHBondContact CG1-O 3.38Å; I121-Q699 VanDerWaalsContact CB-O 3.25Å; I121-Q699 WeakPolarHBondContact CB-O 2.98Å; I121-Q699 WeakPolarHBondContact CG2-O 3.27Å; I121-G700 WeakPolarHBondContact CD1-O 3.47Å; I121-G700 VanDerWaalsContact CG2-CA 3.42Å; I121-K701 HydrophobicContact CD1-CB 4.02Å; I121-K701 HydrophobicContact CG1-CB 4.44Å; I121-K702 WeakPolarHBondContact CD1-O 3.44Å | ||
| 122 | A | 40.3 | Very low | 36.7 | Very low | 28 Ų | 28 | 102.1 Ų | 102.1 | 23% | 0.231 | 58% | 0.584 | C | S | . | * | trans | 78 | 154 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | Q679 | A122-Q679 CarbonylContact C-O 3.57Å; A122-Q679 VanDerWaalsContact N-C 3.28Å; A122-Q679 PolarHBondContact N-O 2.93Å; A122-Q679 WeakPolarHBondContact O-CB 3.4Å | ||
| 123 | T | 41.2 | Very low | 36.7 | Very low | 122 Ų | 122 | 101.3 Ų | 101.3 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | cis | -150 | 123.8 | 26.3 | -59 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 124 | V | 38.1 | Very low | 36.5 | Very low | 111 Ų | 111 | 98.6 Ų | 98.6 | 67% | 0.673 | 59% | 0.591 | S | S | * | * | 56.3 | 144.5 | 102.3 | -176.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 125 | P | 37.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 98.7 Ų | 98.7 | 82% | 0.818 | 59% | 0.591 | S | S | * | * | cis | -104.5 | -110 | 2.6 | 15.3 | 10.2 | 0 | 0 | 0 | 114.3 | ||||
| 126 | A | 34.8 | Very low | 36.3 | Very low | 84 Ų | 84 | 98.8 Ų | 98.8 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | cis | -159.5 | 157.7 | -14.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 127 | M | 33.1 | Very low | 35.9 | Very low | 153 Ų | 153 | 103.6 Ų | 103.6 | 75% | 0.754 | 60% | 0.601 | S | S | * | * | trans | -158.8 | 155.8 | 168.8 | -74.1 | -173.3 | 59 | 0 | 0 | 111.1 | Q129 | M127-Q129 HydrophobicContact CE-CG 3.98Š| ||
| 128 | P | 32.8 | Very low | 35.7 | Very low | 129 Ų | 129 | 110 Ų | 110 | 84% | 0.838 | 63% | 0.632 | S | S | * | * | -137.7 | -170.2 | 110 | 28.5 | -9.5 | 0 | 0 | 0 | 114.2 | |||||
| 129 | Q | 28.7 | Very low | 35.5 | Very low | 168 Ų | 168 | 119.8 Ų | 119.8 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -128.7 | 151.9 | -174.2 | -68 | 164.1 | -127.8 | 0 | 0 | 111.6 | M127 | M127-Q129 HydrophobicContact CE-CG 3.98Š| ||
| 130 | E | 32.9 | Very low | 35 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | -149.2 | 149.1 | 155 | -96.5 | -144.6 | 111.4 | 0 | 0 | 115.1 | ||||
| 131 | K | 30.6 | Very low | 34.2 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | 42.3 | 122.8 | 154.3 | -70.4 | 169.2 | 177.6 | 138.4 | 0 | 121.8 | ||||
| 132 | L | 30.3 | Very low | 33.8 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | -108.8 | 151.7 | 149.7 | -74 | 166.7 | 0 | 0 | 0 | 108.3 | ||||
| 133 | A | 35.2 | Very low | 33.4 | Very low | 107 Ų | 107 | 154.1 Ų | 154.1 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -137.5 | 153.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 134 | S | 31.1 | Very low | 33.3 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -117.2 | 150.5 | -170.7 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 135 | S | 27.6 | Very low | 33 | Very low | 122 Ų | 122 | 160.9 Ų | 160.9 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -169.2 | 109 | 165.8 | -83.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 136 | P | 37.9 | Very low | 32.8 | Very low | 121 Ų | 121 | 161.6 Ų | 161.6 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -78.6 | 154 | 162.8 | -7.6 | 26 | 0 | 0 | 0 | 110.8 | ||||
| 137 | K | 34.2 | Very low | 32.7 | Very low | 208 Ų | 208 | 161.7 Ų | 161.7 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -155.5 | 101 | 169.5 | -140.2 | 163.7 | -167.7 | 164.7 | 0 | 112.8 | ||||
| 138 | D | 33.4 | Very low | 33 | Very low | 151 Ų | 151 | 164.2 Ų | 164.2 | 81% | 0.807 | 83% | 0.832 | S | S | * | * | trans | -67.5 | 145.2 | 173.1 | -81 | -83.2 | 0 | 0 | 0 | 113.1 | ||||
| 139 | R | 36.1 | Very low | 32.8 | Very low | 253 Ų | 253 | 163.6 Ų | 163.6 | 96% | 0.955 | 83% | 0.826 | S | S | * | * | trans | -140.5 | 115.1 | 156.1 | -79.7 | -162.2 | 164 | -169.5 | -5.2 | 110.5 | ||||
| 140 | K | 31.7 | Very low | 33 | Very low | 200 Ų | 200 | 164.1 Ų | 164.1 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | trans | -113.9 | 156.7 | -177.4 | -168.4 | -179.9 | 179.7 | 176 | 0 | 109.9 | ||||
| 141 | K | 28.4 | Very low | 33.1 | Very low | 199 Ų | 199 | 162.6 Ų | 162.6 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | 63.1 | 106.5 | 159.8 | -167.1 | 179.6 | -173.1 | 179.4 | 0 | 117.8 | ||||
| 142 | K | 34.7 | Very low | 33.3 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | -156 | 93.1 | 129.6 | -148.2 | 164.6 | -169 | 169.5 | 0 | 112.4 | |||||
| 143 | E | 31.9 | Very low | 33.3 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -73.7 | 148.7 | 152.4 | -82.7 | -177.3 | 84.4 | 0 | 0 | 109.7 | ||||
| 144 | K | 39 | Very low | 33.1 | Very low | 192 Ų | 192 | 157.6 Ų | 157.6 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -143 | 106.7 | 149.8 | -95.7 | -158.8 | 168.9 | -165.3 | 0 | 108.6 | ||||
| 145 | K | 30.7 | Very low | 33.1 | Very low | 182 Ų | 182 | 157 Ų | 157 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -73.2 | 152 | 147.2 | -68.6 | -179.7 | -179.4 | 176.2 | 0 | 108.3 | ||||
| 146 | V | 34.2 | Very low | 33.4 | Very low | 141 Ų | 141 | 159.1 Ų | 159.1 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | 174.4 | 132.2 | 135.2 | 147.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 147 | A | 33.2 | Very low | 33 | Very low | 87 Ų | 87 | 159.7 Ų | 159.7 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | trans | -86.8 | 152.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 148 | K | 39.3 | Very low | 33 | Very low | 205 Ų | 205 | 156 Ų | 156 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -120.4 | 134.9 | 154.9 | -175.7 | 159.4 | -178.7 | 169.4 | 0 | 108.4 | ||||
| 149 | V | 27.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | trans | -108.4 | 176.9 | -177.4 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 150 | E | 33.1 | Very low | 32.9 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | 91.2 | 117.7 | 168.2 | -53.8 | -164.1 | 150.1 | 0 | 0 | 117.8 | ||||
| 151 | P | 35.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 134 | 158.6 | 35.4 | -26.9 | 0 | 0 | 0 | 111 | ||
| 152 | A | 34.7 | Very low | 32.7 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 142.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 153 | V | 29.7 | Very low | 32.7 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 142.3 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 154 | S | 31.2 | Very low | 32.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -150.7 | 119.5 | 167.3 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 155 | S | 32.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -135.7 | 119 | 178.6 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | I | 33.2 | Very low | 32.8 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -127.7 | 118.9 | 170.9 | -64.3 | 172.9 | 0 | 0 | 0 | 107.3 | ||||
| 157 | V | 30.1 | Very low | 32.8 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -95 | 134.9 | 165.5 | 174.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 158 | N | 33 | Very low | 32.7 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -121.1 | 127.8 | 176.5 | -164.2 | -3.3 | 0 | 0 | 0 | 109.3 | ||||
| 159 | S | 31 | Very low | 32.5 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -134.1 | 124.8 | 179.9 | -69.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 160 | I | 36.4 | Very low | 32.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -128.2 | 142.9 | 178.4 | -63.4 | -178.5 | 0 | 0 | 0 | 108.2 | ||||
| 161 | Q | 28.8 | Very low | 32.7 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -112.1 | -177.5 | -173.1 | -58.6 | -177 | 24.2 | 0 | 0 | 112 | ||||
| 162 | V | 28 | Very low | 32.8 | Very low | 127 Ų | 127 | 134 Ų | 134 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 75.6 | 127 | 159.8 | -176.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 163 | L | 34.7 | Very low | 32.9 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -169 | 153.9 | 131.6 | -101.7 | 170.7 | 0 | 0 | 0 | 109.9 | ||||
| 164 | A | 31.8 | Very low | 33.3 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -143.1 | 162.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 165 | S | 36.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -161.8 | 170.7 | 177.7 | -80.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 166 | K | 35 | Very low | 33.4 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -122.9 | 174.8 | -160.5 | -57 | 178.8 | 177.8 | -179.6 | 0 | 115.2 | ||||
| 167 | S | 33.8 | Very low | 33.5 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | 80.8 | 156.8 | 159.4 | 75.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 168 | A | 32.7 | Very low | 33.8 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | cis | -175.5 | -179.9 | -30 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 169 | I | 34.1 | Very low | 33.7 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | 86.3 | 120.9 | 152.7 | -71.5 | 168 | 0 | 0 | 0 | 122.1 | ||||
| 170 | L | 32.1 | Very low | 33.7 | Very low | 150 Ų | 150 | 143 Ų | 143 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 61.8 | 135.5 | 148 | -69.9 | 172 | 0 | 0 | 0 | 128 | ||||
| 171 | E | 32.1 | Very low | 33.4 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | 83.7 | 141.1 | 138 | -90.4 | 179.8 | 133.1 | 0 | 0 | 128.4 | ||||
| 172 | A | 37.8 | Very low | 33.3 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | trans | 79.6 | 78.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 173 | T | 36.3 | Very low | 34 | Very low | 144 Ų | 144 | 138 Ų | 138 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 59.2 | 157 | 130.3 | 49.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 174 | P | 37.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -130.4 | 171.3 | -155 | 43.7 | -28.8 | 0 | 0 | 0 | 118.4 | ||||
| 175 | K | 35.6 | Very low | 33.8 | Very low | 200 Ų | 200 | 138.1 Ų | 138.1 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -172.3 | 154.4 | 136.2 | -109.5 | 173.4 | -177.1 | -177.5 | 0 | 114.6 | ||||
| 176 | E | 31.5 | Very low | 33.6 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 65.9 | 153.8 | 170.3 | -72.8 | -59.7 | 100.7 | 0 | 0 | 120.6 | ||||
| 177 | V | 34.2 | Very low | 33.5 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -140.3 | -170.1 | -152.4 | -133.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 178 | P | 36.8 | Very low | 33.4 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | -122.8 | 158.7 | -120.6 | 41.8 | -25.5 | 0 | 0 | 0 | 117.3 | |||||
| 179 | M | 30.5 | Very low | 33.3 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -144 | 110 | 151 | -94.7 | -153.2 | 168.5 | 0 | 0 | 114.2 | ||||
| 180 | V | 30.6 | Very low | 33 | Very low | 135 Ų | 135 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 63.4 | 144.5 | 139.7 | -168.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 181 | A | 31.8 | Very low | 33.4 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 85.5 | 90.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 182 | V | 26 | Very low | 33.8 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -58.9 | 142 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 183 | P | 41.6 | Very low | 34.1 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -92.8 | 174.1 | 177.1 | 38.9 | -38.2 | 0 | 0 | 0 | 114 | ||||
| 184 | P | 34.3 | Very low | 35 | Very low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -149.8 | 151.6 | 132.5 | 37.2 | -20.5 | 0 | 0 | 0 | 118.4 | ||||
| 185 | V | 28.8 | Very low | 35.7 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | 60.2 | 138.3 | 149.9 | -60.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 186 | G | 32.8 | Very low | 36.9 | Very low | 79 Ų | 79 | 114.2 Ų | 114.2 | 81% | 0.814 | 72% | 0.724 | S | S | * | * | trans | 163 | 81.7 | 157 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 187 | S | 32.3 | Very low | 38 | Very low | 117 Ų | 117 | 113.4 Ų | 113.4 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -119.4 | 139.3 | -176.2 | -60 | 0 | 0 | 0 | 0 | 115 | ||||
| 188 | K | 31.4 | Very low | 38.8 | Very low | 208 Ų | 208 | 109.1 Ų | 109.1 | 90% | 0.904 | 70% | 0.701 | S | S | * | * | trans | 70.3 | 150.2 | 165.9 | -59.8 | -161.2 | 179.5 | -172.3 | 0 | 120.2 | ||||
| 189 | A | 30.9 | Very low | 39.5 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 81% | 0.81 | 70% | 0.704 | S | S | * | * | trans | 64.7 | 72.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 190 | S | 28 | Very low | 40.2 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | -164.5 | 147.8 | 123.7 | 42.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 191 | S | 39.7 | Very low | 41 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -62.3 | 126.7 | 171.2 | 55.9 | 0 | 0 | 0 | 0 | 108.2 | A193 | S191-A193 PolarHBondContact O-N 2.98Å; S191-A193 VanDerWaalsContact O-N 3.08Å | ||
| 192 | P | 40.5 | Very low | 42.1 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -59.4 | 116.4 | -154.1 | 19.5 | -32.9 | 0 | 0 | 0 | 112.2 | T194 | P192-T194 PolarHBondContact O-N 2.94Š| ||
| 193 | A | 44.9 | Very low | 43.6 | Very low | 51 Ų | 51 | 108.4 Ų | 108.4 | 42% | 0.421 | 67% | 0.669 | S | S | . | * | trans | -57.7 | 107.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | S191 S195 | S191-A193 PolarHBondContact O-N 2.98Å; S191-A193 VanDerWaalsContact O-N 3.08Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.86Å | ||
| 194 | T | 54.7 | Low | 44.7 | Very low | 65 Ų | 65 | 104.7 Ų | 104.7 | 40% | 0.399 | 65% | 0.647 | S | S | . | * | trans | -68.9 | 89.2 | -175 | 56.6 | 0 | 0 | 0 | 0 | 108.6 | P192 Q215 | P192-T194 PolarHBondContact O-N 2.94Å; T194-Q215 PolarHBondContact O-N 2.83Å; T194-Q215 VanDerWaalsContact O-N 3.07Å | ||
| 195 | S | 53.7 | Low | 46.4 | Very low | 81 Ų | 81 | 104.1 Ų | 104.1 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.4 | -179.1 | 67.1 | 0 | 0 | 0 | 0 | 110 | A193 Q215 | A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.86Å; S195-Q215 CarbonylContact C-O 3.59Å; S195-Q215 WeakPolarHBondContact CA-O 3.47Å |
| 196 | S | 59.4 | Low | 48.4 | Very low | 31 Ų | 31 | 98.2 Ų | 98.2 | 22% | 0.217 | 60% | 0.598 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.5 | 177.3 | 76.2 | 0 | 0 | 0 | 0 | 110.3 | A204 Q215 N216 Q217 | S196-A204 VanDerWaalsContact OG-CB 3.26Å; S196-A204 WeakPolarHBondContact OG-CB 3.38Å; S196-Q215 PolarHBondContact N-O 2.81Å; S196-N216 PolarHBondContact OG-OD1 2.63Å; S196-Q217 PolarHBondContact O-N 2.88Å |
| 197 | Q | 56.1 | Low | 50.1 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.6 | 85.8 | 179.5 | -67.5 | -159.1 | 16.2 | 0 | 0 | 111.9 | Q217 | Q197-Q217 WeakPolarHBondContact CA-O 3.32Å |
| 198 | G | 51 | Low | 51.7 | Low | 32 Ų | 32 | 97 Ų | 97 | 33% | 0.33 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q217 | G198-Q217 PolarHBondContact N-O 3.44Å |
| 199 | K | 51.1 | Low | 53.2 | Low | 175 Ų | 175 | 95.4 Ų | 95.4 | 76% | 0.761 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -71.4 | -44.7 | 167.1 | -72.8 | -180 | -176.9 | 170.4 | 0 | 111.2 | ||
| 200 | K | 43.6 | Very low | 54.4 | Low | 194 Ų | 194 | 99.2 Ų | 99.2 | 84% | 0.843 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -146.2 | 132.7 | 163.3 | -65.1 | 176.6 | -177.4 | 174.3 | 0 | 105.2 | ||
| 201 | G | 49.3 | Very low | 55.7 | Low | 47 Ų | 47 | 95.7 Ų | 95.7 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | trans | -176.8 | 146.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 202 | Q | 53.8 | Low | 56.5 | Low | 196 Ų | 196 | 97.4 Ų | 97.4 | 92% | 0.916 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -71 | 163.3 | 172.7 | -66.8 | 167 | -6.7 | 0 | 0 | 110.1 | A204 | Q202-A204 PolarHBondContact O-N 2.85Š|
| 203 | G | 56.9 | Low | 57.4 | Low | 37 Ų | 37 | 93.1 Ų | 93.1 | 38% | 0.381 | 51% | 0.509 | S | S | . | . | trans | -45.4 | 107.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q205 E222 G223 | G203-Q205 PolarHBondContact O-N 3.49Å; G203-E222 WeakPolarHBondContact CA-O 3.36Å; G203-E222 PolarHBondContact N-O 2.82Å; G203-G223 WeakPolarHBondContact CA-O 3.32Å | ||
| 204 | A | 65.4 | Low | 58.6 | Low | 33 Ų | 33 | 91.5 Ų | 91.5 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | trans | -62 | 122.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S196 Q202 Q225 | S196-A204 VanDerWaalsContact OG-CB 3.26Å; S196-A204 WeakPolarHBondContact OG-CB 3.38Å; Q202-A204 PolarHBondContact O-N 2.85Å; A204-Q225 PolarHBondContact O-N 2.76Å | ||
| 205 | Q | 69.6 | Low | 59.4 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 107.1 | -175.5 | -172.8 | -177.5 | 64.9 | 0 | 0 | 111.1 | G203 Q207 Q225 | G203-Q205 PolarHBondContact O-N 3.49Å; Q205-Q207 HydrophobicContact CG-CG 4.23Å; Q205-Q207 VanDerWaalsContact OE1-NE2 3.12Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.02Å; Q205-Q225 HydrophobicContact CB-CB 4.42Å; Q205-Q225 HydrophobicContact CG-CB 4.03Å |
| 206 | N | 70.4 | Confident | 60.2 | Low | 28 Ų | 28 | 87.9 Ų | 87.9 | 15% | 0.15 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.2 | 173.7 | -56.8 | -50.7 | 0 | 0 | 0 | 110 | A214 N216 Q225 N226 Q227 | N206-A214 HydrophobicContact CB-CB 4.43Å; N206-N216 PolarHBondContact ND2-ND2 2.85Å; N206-N216 PolarHBondContact ND2-OD1 3.49Å; N206-Q225 PolarHBondContact N-O 3.01Å; N206-N226 WeakPolarHBondContact CB-OD1 3.36Å; N206-N226 PolarHBondContact ND2-OD1 2.89Å; N206-N226 WeakPolarHBondContact O-CA 3.38Å; N206-Q227 PolarHBondContact O-N 2.83Å |
| 207 | Q | 70.5 | Confident | 60.8 | Low | 132 Ų | 132 | 90 Ų | 90 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.6 | 175 | -57.7 | -163.3 | 32.2 | 0 | 0 | 111.3 | Q205 Q227 | Q205-Q207 HydrophobicContact CG-CG 4.23Å; Q205-Q207 VanDerWaalsContact OE1-NE2 3.12Å; Q207-Q227 WeakPolarHBondContact CA-O 3.31Å; Q207-Q227 HydrophobicContact CG-CB 4.39Å |
| 208 | A | 65.6 | Low | 61.2 | Low | 39 Ų | 39 | 83.4 Ų | 83.4 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q227 A228 K229 | A208-Q227 PolarHBondContact N-O 2.92Å; A208-A228 WeakPolarHBondContact O-CA 3.29Å; A208-K229 PolarHBondContact O-N 3.34Å; A208-K229 VanDerWaalsContact O-N 3.14Å |
| 209 | K | 61.4 | Low | 61.8 | Low | 174 Ų | 174 | 88 Ų | 88 | 76% | 0.757 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -48.8 | 172.7 | -67 | 177.7 | -174.6 | 171.3 | 0 | 111 | K229 K230 | K209-K229 WeakPolarHBondContact O-CB 3.43Å; K209-K230 PolarHBondContact O-N 3.23Å |
| 210 | K | 56.4 | Low | 62.1 | Low | 178 Ų | 178 | 86.1 Ų | 86.1 | 77% | 0.774 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 147.6 | 158.8 | -74.7 | -179.4 | 178.4 | 177.7 | 0 | 106.4 | K230 | K210-K230 WeakPolarHBondContact CA-O 3.43Å |
| 211 | G | 54.9 | Low | 62.7 | Low | 33 Ų | 33 | 78 Ų | 78 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 137.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K230 G231 E232 | G211-K230 PolarHBondContact N-O 3.32Å; G211-G231 WeakPolarHBondContact O-CA 3.4Å; G211-E232 PolarHBondContact O-N 3.02Å |
| 212 | E | 58.1 | Low | 63.3 | Low | 148 Ų | 148 | 80.7 Ų | 80.7 | 69% | 0.692 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 146.3 | 170.7 | -73.3 | 159.3 | -151.9 | 0 | 0 | 108.8 | A214 E232 | E212-A214 PolarHBondContact O-N 2.97Å; E212-E232 CarbonylContact C-O 3.57Å; E212-E232 WeakPolarHBondContact CA-O 3.35Å; E212-E232 HydrophobicContact CG-CB 4.39Å |
| 213 | G | 58.9 | Low | 63.6 | Low | 22 Ų | 22 | 72.8 Ų | 72.8 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | trans | 66 | 30.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q215 E232 | G213-Q215 WeakPolarHBondContact O-CG 2.91Å; G213-Q215 PolarHBondContact O-N 3.26Å; G213-E232 PolarHBondContact N-O 3.37Å | ||
| 214 | A | 69.1 | Low | 64.3 | Low | 17 Ų | 17 | 72 Ų | 72 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | trans | -63.1 | 117.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N206 E212 A234 Q235 | N206-A214 HydrophobicContact CB-CB 4.43Å; E212-A214 PolarHBondContact O-N 2.97Å; A214-A234 CarbonylContact O-C 3.55Å; A214-A234 WeakPolarHBondContact O-CA 3.36Å; A214-Q235 PolarHBondContact O-N 2.94Å | ||
| 215 | Q | 71.9 | Confident | 64.8 | Low | 65 Ų | 65 | 72.6 Ų | 72.6 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 112.9 | -170.5 | -73.3 | -163.8 | -0.8 | 0 | 0 | 113.4 | T194 S195 S196 G213 Q235 | T194-Q215 PolarHBondContact O-N 2.83Å; T194-Q215 VanDerWaalsContact O-N 3.07Å; S195-Q215 CarbonylContact C-O 3.59Å; S195-Q215 WeakPolarHBondContact CA-O 3.47Å; S196-Q215 PolarHBondContact N-O 2.81Å; G213-Q215 WeakPolarHBondContact O-CG 2.91Å; G213-Q215 PolarHBondContact O-N 3.26Å; Q215-Q235 CarbonylContact C-O 3.54Å; Q215-Q235 WeakPolarHBondContact CA-O 3.35Å; Q215-Q235 HydrophobicContact CG-CB 4.31Å |
| 216 | N | 71.5 | Confident | 64.9 | Low | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.032 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.5 | 172.8 | -57.4 | -46.9 | 0 | 0 | 0 | 110.4 | S196 N206 A224 N226 Q235 N236 Q237 | S196-N216 PolarHBondContact OG-OD1 2.63Å; N206-N216 PolarHBondContact ND2-ND2 2.85Å; N206-N216 PolarHBondContact ND2-OD1 3.49Å; N216-A224 HydrophobicContact CB-CB 4.29Å; N216-N226 PolarHBondContact ND2-OD1 2.86Å; N216-Q235 PolarHBondContact N-O 3.41Å; N216-N236 WeakPolarHBondContact CB-OD1 3.29Å; N216-N236 PolarHBondContact ND2-OD1 3.27Å; N216-N236 CarbonylContact O-C 3.56Å; N216-N236 WeakPolarHBondContact O-CA 3.28Å; N216-Q237 PolarHBondContact O-N 2.94Å |
| 217 | Q | 72.1 | Confident | 65.1 | Low | 74 Ų | 74 | 69.8 Ų | 69.8 | 35% | 0.346 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127 | 179.4 | -56.5 | -163.1 | 30 | 0 | 0 | 111.9 | S196 Q197 G198 Q237 | S196-Q217 PolarHBondContact O-N 2.88Å; Q197-Q217 WeakPolarHBondContact CA-O 3.32Å; G198-Q217 PolarHBondContact N-O 3.44Å; Q217-Q237 WeakPolarHBondContact CA-O 3.25Å; Q217-Q237 HydrophobicContact CG-CB 4.37Å |
| 218 | G | 63.5 | Low | 65 | Low | 21 Ų | 21 | 64.9 Ų | 64.9 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 146.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q237 A238 K239 | G218-Q237 PolarHBondContact N-O 2.85Å; G218-A238 WeakPolarHBondContact O-CA 3.3Å; G218-K239 PolarHBondContact O-N 2.83Å; G218-K239 VanDerWaalsContact O-N 3.14Å |
| 219 | K | 62.9 | Low | 65 | Low | 129 Ų | 129 | 69 Ų | 69 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -48.6 | 169.3 | -71.7 | -176.3 | -177.2 | 179.6 | 0 | 111.1 | K239 K240 | K219-K239 WeakPolarHBondContact O-CB 3.39Å; K219-K240 PolarHBondContact O-N 2.89Å; K219-K240 VanDerWaalsContact O-N 3.14Å |
| 220 | K | 57.9 | Low | 64.9 | Low | 135 Ų | 135 | 65.3 Ų | 65.3 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.5 | 162.4 | -71.2 | -174 | 177.7 | -174.6 | 0 | 107.1 | K240 | K220-K240 WeakPolarHBondContact CA-O 3.42Å |
| 221 | G | 57 | Low | 65.1 | Low | 24 Ų | 24 | 57.4 Ų | 57.4 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | trans | -168.2 | 126.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K240 G241 | G221-K240 PolarHBondContact N-O 2.82Å; G221-G241 WeakPolarHBondContact O-CA 3.33Å | ||
| 222 | E | 60.4 | Low | 65.5 | Low | 103 Ų | 103 | 59.1 Ų | 59.1 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -101.7 | 143.3 | 171.6 | -75 | 117.2 | -142.2 | 0 | 0 | 109.1 | G203 A224 K240 E242 | G203-E222 WeakPolarHBondContact CA-O 3.36Å; G203-E222 PolarHBondContact N-O 2.82Å; E222-A224 PolarHBondContact O-N 3.12Å; E222-K240 IonicContact OE1-NZ 3.06Å; E222-K240 PolarHBondContact OE1-NZ 2.96Å; E222-E242 WeakPolarHBondContact CA-O 2.99Å; E222-E242 HydrophobicContact CG-CB 4.15Å |
| 223 | G | 61.8 | Low | 65.8 | Low | 31 Ų | 31 | 53.2 Ų | 53.2 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | trans | 68.2 | 28.4 | 168 | 0 | 0 | 0 | 0 | 0 | 117.2 | G203 Q225 E242 | G203-G223 WeakPolarHBondContact CA-O 3.32Å; G223-Q225 PolarHBondContact O-N 3.08Å; G223-E242 PolarHBondContact N-O 2.83Å | ||
| 224 | A | 71.8 | Confident | 66.5 | Low | 19 Ų | 19 | 53.2 Ų | 53.2 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | trans | -63 | 126.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N216 E222 A244 Q245 | N216-A224 HydrophobicContact CB-CB 4.29Å; E222-A224 PolarHBondContact O-N 3.12Å; A224-A244 CarbonylContact O-C 3.55Å; A224-A244 WeakPolarHBondContact O-CA 3.12Å; A224-Q245 PolarHBondContact O-N 3.36Å | ||
| 225 | Q | 74.5 | Confident | 66.9 | Low | 46 Ų | 46 | 54.4 Ų | 54.4 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.4 | -173.1 | -71.7 | -167.8 | -0.2 | 0 | 0 | 112.7 | A204 Q205 N206 G223 Q245 | A204-Q225 PolarHBondContact O-N 2.76Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.02Å; Q205-Q225 HydrophobicContact CB-CB 4.42Å; Q205-Q225 HydrophobicContact CG-CB 4.03Å; N206-Q225 PolarHBondContact N-O 3.01Å; G223-Q225 PolarHBondContact O-N 3.08Å; Q225-Q245 CarbonylContact C-O 3.56Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.38Å; Q225-Q245 HydrophobicContact CG-CB 4.31Å; Q225-Q245 VanDerWaalsContact NE2-OE1 3.09Å |
| 226 | N | 73.1 | Confident | 67 | Low | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.7 | 165.8 | -58.2 | -56.3 | 0 | 0 | 0 | 110 | N206 N216 A234 N236 Q245 N246 Q247 | N206-N226 WeakPolarHBondContact CB-OD1 3.36Å; N206-N226 PolarHBondContact ND2-OD1 2.89Å; N206-N226 WeakPolarHBondContact O-CA 3.38Å; N216-N226 PolarHBondContact ND2-OD1 2.86Å; N226-A234 HydrophobicContact CB-CB 4.28Å; N226-N236 PolarHBondContact ND2-ND2 3.43Å; N226-N236 PolarHBondContact ND2-OD1 2.84Å; N226-Q245 PolarHBondContact N-O 3.26Å; N226-N246 WeakPolarHBondContact CB-OD1 3.38Å; N226-N246 PolarHBondContact ND2-OD1 3.25Å; N226-N246 CarbonylContact O-C 3.53Å; N226-N246 WeakPolarHBondContact O-CA 3.33Å; N226-Q247 PolarHBondContact O-N 2.97Å |
| 227 | Q | 74.6 | Confident | 67.2 | Low | 63 Ų | 63 | 54.5 Ų | 54.5 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.9 | 178.3 | -55 | -165.6 | 24.2 | 0 | 0 | 111.4 | N206 Q207 A208 Q247 | N206-Q227 PolarHBondContact O-N 2.83Å; Q207-Q227 WeakPolarHBondContact CA-O 3.31Å; Q207-Q227 HydrophobicContact CG-CB 4.39Å; A208-Q227 PolarHBondContact N-O 2.92Å; Q227-Q247 WeakPolarHBondContact CA-O 3.41Å; Q227-Q247 HydrophobicContact CG-CB 4.44Å |
| 228 | A | 67.9 | Low | 67 | Low | 29 Ų | 29 | 52.1 Ų | 52.1 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A208 Q247 G248 K249 | A208-A228 WeakPolarHBondContact O-CA 3.29Å; A228-Q247 PolarHBondContact N-O 2.88Å; A228-G248 WeakPolarHBondContact O-CA 3Å; A228-K249 PolarHBondContact O-N 2.85Å |
| 229 | K | 65.1 | Low | 67.1 | Low | 125 Ų | 125 | 57 Ų | 57 | 54% | 0.543 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -48 | 173.5 | -63.8 | 178.3 | -177.1 | 176.3 | 0 | 111.4 | A208 K209 K249 K250 | A208-K229 PolarHBondContact O-N 3.34Å; A208-K229 VanDerWaalsContact O-N 3.14Å; K209-K229 WeakPolarHBondContact O-CB 3.43Å; K229-K249 WeakPolarHBondContact O-CB 3.37Å; K229-K250 PolarHBondContact O-N 2.83Å; K229-K250 VanDerWaalsContact O-N 3.12Å |
| 230 | K | 60 | Low | 67.2 | Low | 96 Ų | 96 | 53.9 Ų | 53.9 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.7 | 156.6 | -172.4 | -164.6 | -174.8 | -110.1 | 0 | 107.5 | K209 K210 G211 E232 K250 | K209-K230 PolarHBondContact O-N 3.23Å; K210-K230 WeakPolarHBondContact CA-O 3.43Å; G211-K230 PolarHBondContact N-O 3.32Å; K230-E232 WeakPolarHBondContact CE-OE1 3.42Å; K230-E232 IonicContact NZ-OE1 2.69Å; K230-E232 PolarHBondContact NZ-OE1 3.04Å; K230-K250 WeakPolarHBondContact CA-O 3.35Å; K230-K250 HydrophobicContact CG-CB 4.4Å |
| 231 | G | 60.5 | Low | 67.4 | Low | 12 Ų | 12 | 47.8 Ų | 47.8 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 155.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G211 K250 G251 E252 | G211-G231 WeakPolarHBondContact O-CA 3.4Å; G231-K250 PolarHBondContact N-O 3.01Å; G231-G251 WeakPolarHBondContact O-CA 3.33Å; G231-E252 PolarHBondContact O-N 3.2Å |
| 232 | E | 63.9 | Low | 67.7 | Low | 69 Ų | 69 | 49.2 Ų | 49.2 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.5 | -173.4 | -78.3 | 152.6 | -123.4 | 0 | 0 | 109.9 | G211 E212 G213 K230 E252 | G211-E232 PolarHBondContact O-N 3.02Å; E212-E232 CarbonylContact C-O 3.57Å; E212-E232 WeakPolarHBondContact CA-O 3.35Å; E212-E232 HydrophobicContact CG-CB 4.39Å; G213-E232 PolarHBondContact N-O 3.37Å; K230-E232 WeakPolarHBondContact CE-OE1 3.42Å; K230-E232 IonicContact NZ-OE1 2.69Å; K230-E232 PolarHBondContact NZ-OE1 3.04Å; E232-E252 WeakPolarHBondContact CA-O 3.4Å; E232-E252 HydrophobicContact CG-CB 4.18Å |
| 233 | G | 63.1 | Low | 67.9 | Low | 24 Ų | 24 | 45.6 Ų | 45.6 | 25% | 0.247 | 25% | 0.25 | C | C | . | . | trans | 68.5 | 34.4 | 174 | 0 | 0 | 0 | 0 | 0 | 116 | Q235 E252 | G233-Q235 PolarHBondContact O-N 2.83Å; G233-E252 PolarHBondContact N-O 3.07Å | ||
| 234 | A | 73.2 | Confident | 68.5 | Low | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | trans | -69.4 | 121 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A214 N226 A254 Q255 | A214-A234 CarbonylContact O-C 3.55Å; A214-A234 WeakPolarHBondContact O-CA 3.36Å; N226-A234 HydrophobicContact CB-CB 4.28Å; A234-A254 CarbonylContact O-C 3.5Å; A234-A254 WeakPolarHBondContact O-CA 3.38Å; A234-Q255 PolarHBondContact O-N 3.46Å | ||
| 235 | Q | 77.4 | Confident | 68.8 | Low | 43 Ų | 43 | 46.1 Ų | 46.1 | 20% | 0.201 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.2 | -174.9 | -54.2 | -174.9 | -1.4 | 0 | 0 | 113.3 | A214 Q215 N216 G233 Q255 | A214-Q235 PolarHBondContact O-N 2.94Å; Q215-Q235 CarbonylContact C-O 3.54Å; Q215-Q235 WeakPolarHBondContact CA-O 3.35Å; Q215-Q235 HydrophobicContact CG-CB 4.31Å; N216-Q235 PolarHBondContact N-O 3.41Å; G233-Q235 PolarHBondContact O-N 2.83Å; Q235-Q255 CarbonylContact C-O 3.56Å; Q235-Q255 VanDerWaalsContact CA-O 3.31Å; Q235-Q255 WeakPolarHBondContact CA-O 3.38Å; Q235-Q255 HydrophobicContact CG-CB 4.22Å |
| 236 | N | 74.4 | Confident | 68.9 | Low | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.4 | 168.6 | -58.4 | -54.8 | 0 | 0 | 0 | 110.1 | N216 N226 A244 N246 Q255 N256 Q257 | N216-N236 WeakPolarHBondContact CB-OD1 3.29Å; N216-N236 PolarHBondContact ND2-OD1 3.27Å; N216-N236 CarbonylContact O-C 3.56Å; N216-N236 WeakPolarHBondContact O-CA 3.28Å; N226-N236 PolarHBondContact ND2-ND2 3.43Å; N226-N236 PolarHBondContact ND2-OD1 2.84Å; N236-A244 HydrophobicContact CB-CB 3.99Å; N236-N246 PolarHBondContact ND2-OD1 3.46Å; N236-Q255 PolarHBondContact N-O 3.48Å; N236-N256 WeakPolarHBondContact CB-OD1 3.43Å; N236-N256 PolarHBondContact ND2-OD1 3.09Å; N236-N256 CarbonylContact O-C 3.56Å; N236-N256 WeakPolarHBondContact O-CA 3.38Å; N236-Q257 PolarHBondContact O-N 2.8Å |
| 237 | Q | 75.7 | Confident | 69.2 | Low | 66 Ų | 66 | 47.2 Ų | 47.2 | 31% | 0.308 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.4 | 179.9 | -54.8 | -165.1 | 28.7 | 0 | 0 | 112.5 | N216 Q217 G218 Q257 | N216-Q237 PolarHBondContact O-N 2.94Å; Q217-Q237 WeakPolarHBondContact CA-O 3.25Å; Q217-Q237 HydrophobicContact CG-CB 4.37Å; G218-Q237 PolarHBondContact N-O 2.85Å; Q237-Q257 WeakPolarHBondContact CA-O 3.26Å; Q237-Q257 HydrophobicContact CG-CB 4.32Å |
| 238 | A | 68.3 | Low | 68.9 | Low | 25 Ų | 25 | 45.3 Ų | 45.3 | 21% | 0.207 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G218 Q257 K259 | G218-A238 WeakPolarHBondContact O-CA 3.3Å; A238-Q257 PolarHBondContact N-O 2.85Å; A238-K259 PolarHBondContact O-N 2.61Å |
| 239 | K | 66.3 | Low | 68.9 | Low | 122 Ų | 122 | 49.6 Ų | 49.6 | 53% | 0.53 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -49.9 | 170.2 | -60.5 | -175.9 | -179.7 | -179.5 | 0 | 111.9 | G218 K219 K259 K260 | G218-K239 PolarHBondContact O-N 2.83Å; G218-K239 VanDerWaalsContact O-N 3.14Å; K219-K239 WeakPolarHBondContact O-CB 3.39Å; K239-K259 HydrophobicContact CG-CD 4.43Å; K239-K259 WeakPolarHBondContact O-CB 3.31Å; K239-K260 PolarHBondContact O-N 2.92Å |
| 240 | K | 64 | Low | 68.9 | Low | 65 Ų | 65 | 49.6 Ų | 49.6 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.6 | 153.6 | -177 | -165 | 176.1 | -76 | 0 | 107.8 | K219 K220 G221 E222 E242 K260 | K219-K240 PolarHBondContact O-N 2.89Å; K219-K240 VanDerWaalsContact O-N 3.14Å; K220-K240 WeakPolarHBondContact CA-O 3.42Å; G221-K240 PolarHBondContact N-O 2.82Å; E222-K240 IonicContact OE1-NZ 3.06Å; E222-K240 PolarHBondContact OE1-NZ 2.96Å; K240-E242 VanDerWaalsContact CE-OE1 3.25Å; K240-E242 WeakPolarHBondContact CE-OE1 3.35Å; K240-E242 IonicContact NZ-OE1 3.35Å; K240-E242 PolarHBondContact NZ-OE1 2.96Å; K240-E242 IonicContact NZ-OE2 2.89Å; K240-E242 PolarHBondContact NZ-OE2 3.49Å; K240-K260 VanDerWaalsContact CA-O 3.3Å; K240-K260 WeakPolarHBondContact CA-O 3.29Å |
| 241 | G | 62.2 | Low | 69.1 | Low | 6 Ų | 6 | 46 Ų | 46 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | trans | -173.3 | 147.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G221 K260 G261 | G221-G241 WeakPolarHBondContact O-CA 3.33Å; G241-K260 PolarHBondContact N-O 2.85Å; G241-G261 WeakPolarHBondContact O-CA 3.41Å | ||
| 242 | E | 63.9 | Low | 69.5 | Low | 55 Ų | 55 | 49.1 Ų | 49.1 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -118 | 140.3 | 179 | -79.8 | 104.8 | -118.4 | 0 | 0 | 109.5 | E222 G223 K240 E262 | E222-E242 WeakPolarHBondContact CA-O 2.99Å; E222-E242 HydrophobicContact CG-CB 4.15Å; G223-E242 PolarHBondContact N-O 2.83Å; K240-E242 VanDerWaalsContact CE-OE1 3.25Å; K240-E242 WeakPolarHBondContact CE-OE1 3.35Å; K240-E242 IonicContact NZ-OE1 3.35Å; K240-E242 PolarHBondContact NZ-OE1 2.96Å; K240-E242 IonicContact NZ-OE2 2.89Å; K240-E242 PolarHBondContact NZ-OE2 3.49Å; E242-E262 HydrophobicContact CB-CB 4.09Å; E242-E262 HydrophobicContact CG-CB 3.73Å; E242-E262 HydrophobicContact CG-CG 3.82Å |
| 243 | G | 64.5 | Low | 69.6 | Low | 26 Ų | 26 | 47 Ų | 47 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | trans | 68.5 | 38.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | E262 | G243-E262 PolarHBondContact N-O 3.46Š| ||
| 244 | A | 75 | Confident | 70.3 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | trans | -69.3 | 129.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A224 N236 G264 Q265 | A224-A244 CarbonylContact O-C 3.55Å; A224-A244 WeakPolarHBondContact O-CA 3.12Å; N236-A244 HydrophobicContact CB-CB 3.99Å; A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.33Å; A244-Q265 PolarHBondContact O-N 2.89Å | ||
| 245 | Q | 78.5 | Confident | 70.6 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138 | -175.1 | -55.2 | -177.2 | -45.5 | 0 | 0 | 113.2 | A224 Q225 N226 Q265 | A224-Q245 PolarHBondContact O-N 3.36Å; Q225-Q245 CarbonylContact C-O 3.56Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.38Å; Q225-Q245 HydrophobicContact CG-CB 4.31Å; Q225-Q245 VanDerWaalsContact NE2-OE1 3.09Å; N226-Q245 PolarHBondContact N-O 3.26Å; Q245-Q265 CarbonylContact C-O 3.54Å; Q245-Q265 VanDerWaalsContact CA-O 3.28Å; Q245-Q265 WeakPolarHBondContact CA-O 3.43Å; Q245-Q265 HydrophobicContact CG-CB 4.25Å |
| 246 | N | 76 | Confident | 70.7 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.6 | 167.4 | -58.8 | -55.3 | 0 | 0 | 0 | 109.4 | N226 N236 A254 N256 Q265 N266 Q267 | N226-N246 WeakPolarHBondContact CB-OD1 3.38Å; N226-N246 PolarHBondContact ND2-OD1 3.25Å; N226-N246 CarbonylContact O-C 3.53Å; N226-N246 WeakPolarHBondContact O-CA 3.33Å; N236-N246 PolarHBondContact ND2-OD1 3.46Å; N246-A254 HydrophobicContact CB-CB 4.2Å; N246-N256 PolarHBondContact ND2-OD1 3Å; N246-Q265 PolarHBondContact N-O 3.07Å; N246-N266 WeakPolarHBondContact CB-OD1 3.35Å; N246-N266 PolarHBondContact ND2-OD1 2.93Å; N246-N266 CarbonylContact O-C 3.59Å; N246-N266 WeakPolarHBondContact O-CA 3.32Å; N246-Q267 PolarHBondContact O-N 3.18Å |
| 247 | Q | 78.4 | Confident | 70.8 | Confident | 70 Ų | 70 | 49 Ų | 49 | 33% | 0.327 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.3 | -179.5 | -55.4 | -165 | 25.5 | 0 | 0 | 112.3 | N226 Q227 A228 Q267 | N226-Q247 PolarHBondContact O-N 2.97Å; Q227-Q247 WeakPolarHBondContact CA-O 3.41Å; Q227-Q247 HydrophobicContact CG-CB 4.44Å; A228-Q247 PolarHBondContact N-O 2.88Å; Q247-Q267 CarbonylContact C-O 3.54Å; Q247-Q267 WeakPolarHBondContact CA-O 3.4Å; Q247-Q267 HydrophobicContact CG-CB 4.34Å |
| 248 | G | 68.5 | Low | 70.6 | Confident | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 168.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | A228 Q267 A268 K269 | A228-G248 WeakPolarHBondContact O-CA 3Å; G248-Q267 PolarHBondContact N-O 3.43Å; G248-A268 WeakPolarHBondContact O-CA 3.26Å; G248-K269 PolarHBondContact O-N 3.04Å; G248-K269 VanDerWaalsContact O-N 3.09Å |
| 249 | K | 68.5 | Low | 70.5 | Confident | 119 Ų | 119 | 51.4 Ų | 51.4 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -47.8 | 175.5 | -59.2 | -175 | -178.4 | -174.2 | 0 | 111.7 | A228 K229 K269 K270 | A228-K249 PolarHBondContact O-N 2.85Å; K229-K249 WeakPolarHBondContact O-CB 3.37Å; K249-K269 HydrophobicContact CG-CD 4.45Å; K249-K269 WeakPolarHBondContact O-CB 3.31Å; K249-K270 PolarHBondContact O-N 3.15Å |
| 250 | K | 65.6 | Low | 70.5 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 54% | 0.543 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.2 | 165 | -68.7 | -175.7 | 178.9 | -178.3 | 0 | 108 | K229 K230 G231 K270 | K229-K250 PolarHBondContact O-N 2.83Å; K229-K250 VanDerWaalsContact O-N 3.12Å; K230-K250 WeakPolarHBondContact CA-O 3.35Å; K230-K250 HydrophobicContact CG-CB 4.4Å; G231-K250 PolarHBondContact N-O 3.01Å; K250-K270 WeakPolarHBondContact CA-O 3.45Å; K250-K270 HydrophobicContact CG-CB 4.47Å |
| 251 | G | 64.3 | Low | 70.4 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 152.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | G231 K270 G271 E272 | G231-G251 WeakPolarHBondContact O-CA 3.33Å; G251-K270 PolarHBondContact N-O 2.92Å; G251-G271 WeakPolarHBondContact O-CA 3.4Å; G251-E272 PolarHBondContact O-N 2.96Å |
| 252 | E | 67.8 | Low | 70.5 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.3 | -167 | -55 | 177 | -171.6 | 0 | 0 | 109.5 | G231 E232 G233 A254 K270 E272 | G231-E252 PolarHBondContact O-N 3.2Å; E232-E252 WeakPolarHBondContact CA-O 3.4Å; E232-E252 HydrophobicContact CG-CB 4.18Å; G233-E252 PolarHBondContact N-O 3.07Å; E252-A254 PolarHBondContact O-N 2.85Å; E252-K270 IonicContact OE1-NZ 3.14Å; E252-K270 PolarHBondContact OE1-NZ 2.93Å; E252-E272 CarbonylContact C-O 3.46Å; E252-E272 VanDerWaalsContact CA-O 3.27Å; E252-E272 WeakPolarHBondContact CA-O 3.49Å; E252-E272 HydrophobicContact CG-CB 4.24Å |
| 253 | G | 66.2 | Low | 70.5 | Confident | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | trans | 67.9 | 32 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q255 E272 | G253-Q255 PolarHBondContact O-N 2.95Å; G253-E272 PolarHBondContact N-O 2.84Å | ||
| 254 | A | 76.9 | Confident | 70.9 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | trans | -71.4 | 120.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A234 N246 E252 A274 Q275 | A234-A254 CarbonylContact O-C 3.5Å; A234-A254 WeakPolarHBondContact O-CA 3.38Å; N246-A254 HydrophobicContact CB-CB 4.2Å; E252-A254 PolarHBondContact O-N 2.85Å; A254-A274 CarbonylContact O-C 3.57Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; A254-Q275 PolarHBondContact O-N 2.85Å | ||
| 255 | Q | 81.3 | Confident | 71.2 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.4 | -174 | -59 | -174.2 | -15 | 0 | 0 | 113.7 | A234 Q235 N236 G253 Q275 | A234-Q255 PolarHBondContact O-N 3.46Å; Q235-Q255 CarbonylContact C-O 3.56Å; Q235-Q255 VanDerWaalsContact CA-O 3.31Å; Q235-Q255 WeakPolarHBondContact CA-O 3.38Å; Q235-Q255 HydrophobicContact CG-CB 4.22Å; N236-Q255 PolarHBondContact N-O 3.48Å; G253-Q255 PolarHBondContact O-N 2.95Å; Q255-Q275 CarbonylContact C-O 3.54Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.3Å |
| 256 | N | 77.8 | Confident | 71.3 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | 165.6 | -56.9 | -60 | 0 | 0 | 0 | 110.3 | N236 N246 N266 Q275 N276 Q277 | N236-N256 WeakPolarHBondContact CB-OD1 3.43Å; N236-N256 PolarHBondContact ND2-OD1 3.09Å; N236-N256 CarbonylContact O-C 3.56Å; N236-N256 WeakPolarHBondContact O-CA 3.38Å; N246-N256 PolarHBondContact ND2-OD1 3Å; N256-N266 PolarHBondContact ND2-OD1 2.6Å; N256-Q275 PolarHBondContact N-O 3.3Å; N256-N276 WeakPolarHBondContact CB-OD1 3.46Å; N256-N276 PolarHBondContact ND2-OD1 3.11Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.32Å; N256-Q277 PolarHBondContact O-N 3Å |
| 257 | Q | 77.9 | Confident | 71.5 | Confident | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 115.2 | -179.8 | -55.4 | -166 | 30.4 | 0 | 0 | 111.8 | N236 Q237 A238 Q277 | N236-Q257 PolarHBondContact O-N 2.8Å; Q237-Q257 WeakPolarHBondContact CA-O 3.26Å; Q237-Q257 HydrophobicContact CG-CB 4.32Å; A238-Q257 PolarHBondContact N-O 2.85Å; Q257-Q277 WeakPolarHBondContact CA-O 3.43Å; Q257-Q277 HydrophobicContact CG-CB 4.43Å |
| 258 | A | 70 | Confident | 71.3 | Confident | 25 Ų | 25 | 53 Ų | 53 | 21% | 0.207 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q277 G278 K279 | A258-Q277 PolarHBondContact N-O 3.49Å; A258-G278 WeakPolarHBondContact O-CA 3.31Å; A258-K279 PolarHBondContact O-N 3.45Å |
| 259 | K | 67.9 | Low | 71.5 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -32.4 | 176.1 | -64.8 | 176.3 | -175.2 | 172.5 | 0 | 112.7 | A238 K239 K279 | A238-K259 PolarHBondContact O-N 2.61Å; K239-K259 HydrophobicContact CG-CD 4.43Å; K239-K259 WeakPolarHBondContact O-CB 3.31Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å |
| 260 | K | 66.2 | Low | 71.7 | Confident | 132 Ų | 132 | 55 Ų | 55 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 129.5 | 168.6 | -176.4 | -169.6 | 174.3 | -168 | 0 | 110.4 | K239 K240 G241 K280 | K239-K260 PolarHBondContact O-N 2.92Å; K240-K260 VanDerWaalsContact CA-O 3.3Å; K240-K260 WeakPolarHBondContact CA-O 3.29Å; G241-K260 PolarHBondContact N-O 2.85Å; K260-K280 WeakPolarHBondContact CA-O 2.97Å |
| 261 | G | 61.2 | Low | 71.7 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 146 | 178.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G241 K280 G281 | G241-G261 WeakPolarHBondContact O-CA 3.41Å; G261-K280 PolarHBondContact N-O 2.99Å; G261-G281 WeakPolarHBondContact O-CA 2.96Å |
| 262 | E | 63.4 | Low | 72.1 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -65.1 | 143.9 | 178.1 | -64.3 | -178.3 | -175.5 | 0 | 0 | 112.3 | E242 G243 | E242-E262 HydrophobicContact CB-CB 4.09Å; E242-E262 HydrophobicContact CG-CB 3.73Å; E242-E262 HydrophobicContact CG-CG 3.82Å; G243-E262 PolarHBondContact N-O 3.46Å |
| 263 | G | 65.6 | Low | 72.1 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 155.3 | -159.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E282 | G263-E282 WeakPolarHBondContact CA-O 3.24Å; G263-E282 PolarHBondContact N-O 3.05Å |
| 264 | G | 72.7 | Confident | 72.8 | Confident | 8 Ų | 8 | 48 Ų | 48 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 150.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A244 N276 Q285 | A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.33Å; G264-N276 PolarHBondContact O-ND2 2.82Å; G264-N276 PolarHBondContact O-OD1 3.39Å; G264-Q285 PolarHBondContact O-N 2.98Å |
| 265 | Q | 81 | Confident | 73.1 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.9 | 176.6 | -55.3 | -178.2 | -7.3 | 0 | 0 | 110.6 | A244 Q245 N246 Q285 | A244-Q265 PolarHBondContact O-N 2.89Å; Q245-Q265 CarbonylContact C-O 3.54Å; Q245-Q265 VanDerWaalsContact CA-O 3.28Å; Q245-Q265 WeakPolarHBondContact CA-O 3.43Å; Q245-Q265 HydrophobicContact CG-CB 4.25Å; N246-Q265 PolarHBondContact N-O 3.07Å; Q265-Q285 CarbonylContact C-O 3.55Å; Q265-Q285 VanDerWaalsContact CA-O 3.32Å; Q265-Q285 WeakPolarHBondContact CA-O 3.36Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å |
| 266 | N | 80 | Confident | 73.1 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.4 | 172.6 | -57.1 | -57.3 | 0 | 0 | 0 | 110.2 | N246 N256 A274 N276 Q285 N286 Q287 | N246-N266 WeakPolarHBondContact CB-OD1 3.35Å; N246-N266 PolarHBondContact ND2-OD1 2.93Å; N246-N266 CarbonylContact O-C 3.59Å; N246-N266 WeakPolarHBondContact O-CA 3.32Å; N256-N266 PolarHBondContact ND2-OD1 2.6Å; N266-A274 HydrophobicContact CB-CB 4.04Å; N266-N276 PolarHBondContact ND2-OD1 2.83Å; N266-N276 VanDerWaalsContact ND2-OD1 3.12Å; N266-Q285 PolarHBondContact N-O 2.86Å; N266-N286 WeakPolarHBondContact CB-OD1 3.37Å; N266-N286 PolarHBondContact ND2-OD1 2.61Å; N266-N286 CarbonylContact O-C 3.56Å; N266-N286 WeakPolarHBondContact O-CA 3.05Å; N266-Q287 PolarHBondContact O-N 3.42Å |
| 267 | Q | 80.8 | Confident | 73.2 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 33% | 0.327 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 113.4 | -179.9 | -56.2 | -165.6 | 23.2 | 0 | 0 | 111.8 | N246 Q247 G248 Q287 | N246-Q267 PolarHBondContact O-N 3.18Å; Q247-Q267 CarbonylContact C-O 3.54Å; Q247-Q267 WeakPolarHBondContact CA-O 3.4Å; Q247-Q267 HydrophobicContact CG-CB 4.34Å; G248-Q267 PolarHBondContact N-O 3.43Å; Q267-Q287 WeakPolarHBondContact CA-O 3.35Å; Q267-Q287 HydrophobicContact CG-CB 4.38Å |
| 268 | A | 74.5 | Confident | 72.9 | Confident | 27 Ų | 27 | 48 Ų | 48 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G248 Q287 G288 K289 | G248-A268 WeakPolarHBondContact O-CA 3.26Å; A268-Q287 PolarHBondContact N-O 2.87Å; A268-G288 WeakPolarHBondContact O-CA 3.33Å; A268-K289 PolarHBondContact O-N 3.02Å |
| 269 | K | 72.4 | Confident | 72.8 | Confident | 120 Ų | 120 | 52.1 Ų | 52.1 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -49.8 | 174.2 | -63.1 | -178.4 | -178.1 | 178.5 | 0 | 111 | G248 K249 K289 K290 | G248-K269 PolarHBondContact O-N 3.04Å; G248-K269 VanDerWaalsContact O-N 3.09Å; K249-K269 HydrophobicContact CG-CD 4.45Å; K249-K269 WeakPolarHBondContact O-CB 3.31Å; K269-K289 VanDerWaalsContact O-CB 3.29Å; K269-K289 WeakPolarHBondContact O-CB 3.42Å; K269-K289 PolarHBondContact O-N 3.31Å; K269-K290 PolarHBondContact O-N 3.25Å |
| 270 | K | 71.7 | Confident | 72.8 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 27% | 0.274 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132 | 153.3 | 176.2 | -172.3 | -174.5 | -89.4 | 0 | 107.1 | K249 K250 G251 E252 E272 K290 | K249-K270 PolarHBondContact O-N 3.15Å; K250-K270 WeakPolarHBondContact CA-O 3.45Å; K250-K270 HydrophobicContact CG-CB 4.47Å; G251-K270 PolarHBondContact N-O 2.92Å; E252-K270 IonicContact OE1-NZ 3.14Å; E252-K270 PolarHBondContact OE1-NZ 2.93Å; K270-E272 WeakPolarHBondContact CE-OE1 3.26Å; K270-E272 IonicContact NZ-OE1 2.55Å; K270-E272 PolarHBondContact NZ-OE1 2.98Å; K270-E272 IonicContact NZ-OE2 2.7Å; K270-E272 PolarHBondContact NZ-OE2 2.84Å; K270-E272 VanDerWaalsContact NZ-OE2 3.14Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CD 4.25Å |
| 271 | G | 66.4 | Low | 72.7 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 153.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G251 K290 G291 E292 | G251-G271 WeakPolarHBondContact O-CA 3.4Å; G271-K290 PolarHBondContact N-O 2.89Å; G271-G291 VanDerWaalsContact O-CA 3.32Å; G271-G291 WeakPolarHBondContact O-CA 3.02Å; G271-E292 PolarHBondContact O-N 3.04Å; G271-E292 VanDerWaalsContact O-N 3.12Å |
| 272 | E | 73 | Confident | 73 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.5 | -168.4 | -56.8 | 179.9 | -178.9 | 0 | 0 | 108.6 | G251 E252 G253 K270 K290 E292 | G251-E272 PolarHBondContact O-N 2.96Å; E252-E272 CarbonylContact C-O 3.46Å; E252-E272 VanDerWaalsContact CA-O 3.27Å; E252-E272 WeakPolarHBondContact CA-O 3.49Å; E252-E272 HydrophobicContact CG-CB 4.24Å; G253-E272 PolarHBondContact N-O 2.84Å; K270-E272 WeakPolarHBondContact CE-OE1 3.26Å; K270-E272 IonicContact NZ-OE1 2.55Å; K270-E272 PolarHBondContact NZ-OE1 2.98Å; K270-E272 IonicContact NZ-OE2 2.7Å; K270-E272 PolarHBondContact NZ-OE2 2.84Å; K270-E272 VanDerWaalsContact NZ-OE2 3.14Å; E272-K290 IonicContact OE1-NZ 3.41Å; E272-K290 PolarHBondContact OE1-NZ 2.96Å; E272-E292 CarbonylContact C-O 3.53Å; E272-E292 VanDerWaalsContact CA-O 3.28Å; E272-E292 WeakPolarHBondContact CA-O 3.05Å; E272-E292 HydrophobicContact CG-CB 4.21Å |
| 273 | G | 67.8 | Low | 73.2 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | trans | 69.2 | 34.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | E292 | G273-E292 PolarHBondContact N-O 3.41Š| ||
| 274 | A | 79.9 | Confident | 73.9 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | trans | -73.4 | 124.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A254 N266 A294 Q295 | A254-A274 CarbonylContact O-C 3.57Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; N266-A274 HydrophobicContact CB-CB 4.04Å; A274-A294 CarbonylContact O-C 3.54Å; A274-A294 VanDerWaalsContact O-CA 3.31Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; A274-Q295 PolarHBondContact O-N 3.06Å | ||
| 275 | Q | 83.7 | Confident | 74.4 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.6 | -173 | -58.5 | -178.8 | -41.4 | 0 | 0 | 113.6 | A254 Q255 N256 Q295 | A254-Q275 PolarHBondContact O-N 2.85Å; Q255-Q275 CarbonylContact C-O 3.54Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.3Å; N256-Q275 PolarHBondContact N-O 3.3Å; Q275-Q295 CarbonylContact C-O 3.56Å; Q275-Q295 VanDerWaalsContact CA-O 3.29Å; Q275-Q295 WeakPolarHBondContact CA-O 3.42Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å |
| 276 | N | 81.5 | Confident | 74.5 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.3 | 166.7 | -58.6 | -56.6 | 0 | 0 | 0 | 109.7 | N256 G264 N266 A284 Q285 N286 Q295 N296 Q297 | N256-N276 WeakPolarHBondContact CB-OD1 3.46Å; N256-N276 PolarHBondContact ND2-OD1 3.11Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.32Å; G264-N276 PolarHBondContact O-ND2 2.82Å; G264-N276 PolarHBondContact O-OD1 3.39Å; N266-N276 PolarHBondContact ND2-OD1 2.83Å; N266-N276 VanDerWaalsContact ND2-OD1 3.12Å; N276-A284 HydrophobicContact CB-CB 3.98Å; N276-Q285 PolarHBondContact ND2-O 2.88Å; N276-Q285 VanDerWaalsContact ND2-O 3.13Å; N276-N286 PolarHBondContact ND2-OD1 3.1Å; N276-Q295 PolarHBondContact N-O 2.9Å; N276-N296 WeakPolarHBondContact CB-OD1 3.46Å; N276-N296 PolarHBondContact ND2-OD1 2.88Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.46Å; N276-Q297 PolarHBondContact O-N 3.36Å |
| 277 | Q | 80.6 | Confident | 74.7 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.5 | -178.7 | -56 | -167.6 | 28.4 | 0 | 0 | 112.4 | N256 Q257 A258 Q297 | N256-Q277 PolarHBondContact O-N 3Å; Q257-Q277 WeakPolarHBondContact CA-O 3.43Å; Q257-Q277 HydrophobicContact CG-CB 4.43Å; A258-Q277 PolarHBondContact N-O 3.49Å; Q277-Q297 CarbonylContact C-O 3.56Å; Q277-Q297 WeakPolarHBondContact CA-O 3.31Å; Q277-Q297 HydrophobicContact CG-CB 4.4Å |
| 278 | G | 70.1 | Confident | 74.4 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 166.6 | 176 | 0 | 0 | 0 | 0 | 0 | 118.2 | A258 Q297 A298 K299 | A258-G278 WeakPolarHBondContact O-CA 3.31Å; G278-Q297 PolarHBondContact N-O 3.29Å; G278-A298 WeakPolarHBondContact O-CA 3.29Å; G278-K299 PolarHBondContact O-N 2.93Å; G278-K299 VanDerWaalsContact O-N 3.11Å |
| 279 | K | 69.4 | Low | 74.5 | Confident | 110 Ų | 110 | 51.2 Ų | 51.2 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -43.7 | 174.6 | -55.6 | -174.5 | -178.8 | -175.2 | 0 | 112.3 | A258 K259 K299 K300 | A258-K279 PolarHBondContact O-N 3.45Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.37Å; K279-K300 PolarHBondContact O-N 2.6Å |
| 280 | K | 67.5 | Low | 74.6 | Confident | 126 Ų | 126 | 48.4 Ų | 48.4 | 55% | 0.548 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127.8 | 167.9 | -72.9 | -171.6 | 176 | -173.4 | 0 | 107.9 | K260 G261 K300 | K260-K280 WeakPolarHBondContact CA-O 2.97Å; G261-K280 PolarHBondContact N-O 2.99Å; K280-K300 WeakPolarHBondContact CA-O 3.13Å |
| 281 | G | 64 | Low | 74.5 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | trans | -179.5 | 152.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G261 K300 G301 | G261-G281 WeakPolarHBondContact O-CA 2.96Å; G281-K300 PolarHBondContact N-O 2.86Å; G281-G301 WeakPolarHBondContact O-CA 3.43Å | ||
| 282 | E | 67.7 | Low | 74.9 | Confident | 96 Ų | 96 | 47.9 Ų | 47.9 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -121.2 | 149.3 | -174 | -74.7 | 128 | -131.9 | 0 | 0 | 109.8 | G263 A284 E302 | G263-E282 WeakPolarHBondContact CA-O 3.24Å; G263-E282 PolarHBondContact N-O 3.05Å; E282-A284 PolarHBondContact O-N 3.02Å; E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.36Å; E282-E302 HydrophobicContact CG-CB 4.09Å |
| 283 | G | 66.6 | Low | 74.9 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | trans | 71.8 | 28.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q285 E302 | G283-Q285 PolarHBondContact O-N 2.85Å; G283-E302 PolarHBondContact N-O 2.97Å | ||
| 284 | A | 80 | Confident | 75.6 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | trans | -68 | 126.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | N276 E282 A304 Q305 | N276-A284 HydrophobicContact CB-CB 3.98Å; E282-A284 PolarHBondContact O-N 3.02Å; A284-A304 CarbonylContact O-C 3.54Å; A284-A304 WeakPolarHBondContact O-CA 3.31Å; A284-Q305 PolarHBondContact O-N 2.73Å | ||
| 285 | Q | 83.9 | Confident | 75.9 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.8 | -173.3 | -61.7 | -169.4 | -9 | 0 | 0 | 114.1 | G264 Q265 N266 N276 G283 Q305 | G264-Q285 PolarHBondContact O-N 2.98Å; Q265-Q285 CarbonylContact C-O 3.55Å; Q265-Q285 VanDerWaalsContact CA-O 3.32Å; Q265-Q285 WeakPolarHBondContact CA-O 3.36Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å; N266-Q285 PolarHBondContact N-O 2.86Å; N276-Q285 PolarHBondContact ND2-O 2.88Å; N276-Q285 VanDerWaalsContact ND2-O 3.13Å; G283-Q285 PolarHBondContact O-N 2.85Å; Q285-Q305 CarbonylContact C-O 3.45Å; Q285-Q305 VanDerWaalsContact CA-O 3.32Å; Q285-Q305 WeakPolarHBondContact CA-O 3.46Å; Q285-Q305 HydrophobicContact CG-CB 4.33Å |
| 286 | N | 83.4 | Confident | 75.9 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.7 | 162.2 | -57 | -65 | 0 | 0 | 0 | 109.7 | N266 N276 A294 N296 Q305 N306 Q307 | N266-N286 WeakPolarHBondContact CB-OD1 3.37Å; N266-N286 PolarHBondContact ND2-OD1 2.61Å; N266-N286 CarbonylContact O-C 3.56Å; N266-N286 WeakPolarHBondContact O-CA 3.05Å; N276-N286 PolarHBondContact ND2-OD1 3.1Å; N286-A294 HydrophobicContact CB-CB 4.04Å; N286-N296 PolarHBondContact ND2-OD1 2.87Å; N286-Q305 PolarHBondContact N-O 2.85Å; N286-N306 WeakPolarHBondContact CB-OD1 2.93Å; N286-N306 PolarHBondContact ND2-OD1 2.87Å; N286-N306 CarbonylContact O-C 3.57Å; N286-N306 WeakPolarHBondContact O-CA 3.4Å; N286-Q307 PolarHBondContact O-N 2.94Å |
| 287 | Q | 83.5 | Confident | 76 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.8 | -178 | -54.7 | -166.4 | 24.4 | 0 | 0 | 112.4 | N266 Q267 A268 Q307 | N266-Q287 PolarHBondContact O-N 3.42Å; Q267-Q287 WeakPolarHBondContact CA-O 3.35Å; Q267-Q287 HydrophobicContact CG-CB 4.38Å; A268-Q287 PolarHBondContact N-O 2.87Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.29Å; Q287-Q307 WeakPolarHBondContact CA-O 3.34Å; Q287-Q307 HydrophobicContact CG-CB 4.44Å |
| 288 | G | 74.3 | Confident | 75.7 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | A268 Q307 A308 K309 | A268-G288 WeakPolarHBondContact O-CA 3.33Å; G288-Q307 PolarHBondContact N-O 3.25Å; G288-A308 WeakPolarHBondContact O-CA 3.42Å; G288-K309 PolarHBondContact O-N 2.68Å |
| 289 | K | 76.9 | Confident | 75.8 | Confident | 117 Ų | 117 | 51 Ų | 51 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -52.4 | 172.5 | -56.3 | -173.2 | -179.6 | -174.3 | 0 | 111.8 | A268 K269 K309 K310 | A268-K289 PolarHBondContact O-N 3.02Å; K269-K289 VanDerWaalsContact O-CB 3.29Å; K269-K289 WeakPolarHBondContact O-CB 3.42Å; K269-K289 PolarHBondContact O-N 3.31Å; K289-K309 HydrophobicContact CG-CD 4.41Å; K289-K309 WeakPolarHBondContact O-CB 3.33Å; K289-K309 PolarHBondContact O-N 2.96Å; K289-K310 PolarHBondContact O-N 2.69Å |
| 290 | K | 75.8 | Confident | 75.9 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 27% | 0.27 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124 | 161.3 | -175.3 | -169 | -174.2 | -105.1 | 0 | 107.6 | K269 K270 G271 E272 E292 K310 | K269-K290 PolarHBondContact O-N 3.25Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CD 4.25Å; G271-K290 PolarHBondContact N-O 2.89Å; E272-K290 IonicContact OE1-NZ 3.41Å; E272-K290 PolarHBondContact OE1-NZ 2.96Å; K290-E292 WeakPolarHBondContact CE-OE1 3.44Å; K290-E292 IonicContact NZ-OE1 3.6Å; K290-E292 PolarHBondContact NZ-OE1 3.45Å; K290-E292 IonicContact NZ-OE2 2.6Å; K290-E292 PolarHBondContact NZ-OE2 3.23Å; K290-K310 WeakPolarHBondContact CA-O 3.36Å |
| 291 | G | 68.1 | Low | 75.8 | Confident | 16 Ų | 16 | 44 Ų | 44 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 126.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G271 K310 G311 E312 | G271-G291 VanDerWaalsContact O-CA 3.32Å; G271-G291 WeakPolarHBondContact O-CA 3.02Å; G291-K310 PolarHBondContact N-O 3.45Å; G291-G311 CarbonylContact O-C 3.53Å; G291-G311 VanDerWaalsContact O-CA 3.26Å; G291-G311 WeakPolarHBondContact O-CA 3.34Å; G291-E312 PolarHBondContact O-N 2.94Å |
| 292 | E | 75.8 | Confident | 76.1 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.3 | -178.1 | -57.1 | -180 | 170.4 | 0 | 0 | 109.7 | G271 E272 G273 K290 K310 E312 | G271-E292 PolarHBondContact O-N 3.04Å; G271-E292 VanDerWaalsContact O-N 3.12Å; E272-E292 CarbonylContact C-O 3.53Å; E272-E292 VanDerWaalsContact CA-O 3.28Å; E272-E292 WeakPolarHBondContact CA-O 3.05Å; E272-E292 HydrophobicContact CG-CB 4.21Å; G273-E292 PolarHBondContact N-O 3.41Å; K290-E292 WeakPolarHBondContact CE-OE1 3.44Å; K290-E292 IonicContact NZ-OE1 3.6Å; K290-E292 PolarHBondContact NZ-OE1 3.45Å; K290-E292 IonicContact NZ-OE2 2.6Å; K290-E292 PolarHBondContact NZ-OE2 3.23Å; E292-K310 IonicContact OE1-NZ 2.85Å; E292-E312 CarbonylContact C-O 3.54Å; E292-E312 WeakPolarHBondContact CA-O 3.26Å; E292-E312 HydrophobicContact CB-CB 4.26Å; E292-E312 HydrophobicContact CG-CB 3.83Å |
| 293 | G | 72.7 | Confident | 76.1 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 67.7 | 33.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E312 | G293-E312 PolarHBondContact N-O 2.96Š|
| 294 | A | 82.5 | Confident | 76.9 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | trans | -73.3 | 124.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A274 N286 A314 Q315 | A274-A294 CarbonylContact O-C 3.54Å; A274-A294 VanDerWaalsContact O-CA 3.31Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; N286-A294 HydrophobicContact CB-CB 4.04Å; A294-A314 CarbonylContact O-C 3.53Å; A294-A314 VanDerWaalsContact O-CA 3.29Å; A294-A314 WeakPolarHBondContact O-CA 3.42Å; A294-Q315 PolarHBondContact O-N 3.23Å | ||
| 295 | Q | 85.7 | Confident | 77.1 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.8 | -173.8 | -56.7 | -177 | -24.1 | 0 | 0 | 114 | A274 Q275 N276 Q315 | A274-Q295 PolarHBondContact O-N 3.06Å; Q275-Q295 CarbonylContact C-O 3.56Å; Q275-Q295 VanDerWaalsContact CA-O 3.29Å; Q275-Q295 WeakPolarHBondContact CA-O 3.42Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å; N276-Q295 PolarHBondContact N-O 2.9Å; Q295-Q315 CarbonylContact C-O 3.54Å; Q295-Q315 VanDerWaalsContact CA-O 3.26Å; Q295-Q315 WeakPolarHBondContact CA-O 3.42Å; Q295-Q315 HydrophobicContact CG-CB 4.28Å |
| 296 | N | 84.2 | Confident | 77.2 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.6 | 168.1 | -58.7 | -53.5 | 0 | 0 | 0 | 110 | N276 N286 A304 Q305 N306 Q315 N316 Q317 | N276-N296 WeakPolarHBondContact CB-OD1 3.46Å; N276-N296 PolarHBondContact ND2-OD1 2.88Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.46Å; N286-N296 PolarHBondContact ND2-OD1 2.87Å; N296-A304 HydrophobicContact CB-CB 3.99Å; N296-Q305 PolarHBondContact ND2-O 3.23Å; N296-N306 PolarHBondContact ND2-OD1 3.39Å; N296-N306 VanDerWaalsContact ND2-OD1 3.08Å; N296-Q315 PolarHBondContact N-O 2.94Å; N296-N316 WeakPolarHBondContact CB-OD1 3.43Å; N296-N316 PolarHBondContact ND2-OD1 2.85Å; N296-N316 CarbonylContact O-C 3.51Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; N296-Q317 PolarHBondContact O-N 3.38Å |
| 297 | Q | 82.6 | Confident | 77.3 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.6 | -178.4 | -56.1 | -167.7 | 28 | 0 | 0 | 112.6 | N276 Q277 G278 Q317 | N276-Q297 PolarHBondContact O-N 3.36Å; Q277-Q297 CarbonylContact C-O 3.56Å; Q277-Q297 WeakPolarHBondContact CA-O 3.31Å; Q277-Q297 HydrophobicContact CG-CB 4.4Å; G278-Q297 PolarHBondContact N-O 3.29Å; Q297-Q317 WeakPolarHBondContact CA-O 3.4Å; Q297-Q317 HydrophobicContact CG-CB 4.42Å |
| 298 | A | 75.7 | Confident | 77.2 | Confident | 29 Ų | 29 | 42 Ų | 42 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G278 Q317 G318 K319 | G278-A298 WeakPolarHBondContact O-CA 3.29Å; A298-Q317 PolarHBondContact N-O 2.89Å; A298-G318 WeakPolarHBondContact O-CA 3.36Å; A298-K319 PolarHBondContact O-N 3.44Å |
| 299 | K | 72.3 | Confident | 77.5 | Confident | 114 Ų | 114 | 46.4 Ų | 46.4 | 50% | 0.496 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -46.5 | 173.9 | -60.8 | -178.8 | -176.8 | 178.4 | 0 | 112.2 | G278 K279 K319 K320 | G278-K299 PolarHBondContact O-N 2.93Å; G278-K299 VanDerWaalsContact O-N 3.11Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.37Å; K299-K319 WeakPolarHBondContact O-CB 3.24Å; K299-K320 PolarHBondContact O-N 3.35Å |
| 300 | K | 70.9 | Confident | 77.7 | Confident | 78 Ų | 78 | 44.6 Ų | 44.6 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.9 | 149.3 | -170.7 | -157.8 | -179.1 | -105.7 | 0 | 107 | K279 K280 G281 E302 K320 | K279-K300 PolarHBondContact O-N 2.6Å; K280-K300 WeakPolarHBondContact CA-O 3.13Å; G281-K300 PolarHBondContact N-O 2.86Å; K300-E302 WeakPolarHBondContact CE-OE1 3.19Å; K300-E302 IonicContact NZ-OE1 2.65Å; K300-E302 PolarHBondContact NZ-OE1 3.09Å; K300-E302 IonicContact NZ-OE2 2.72Å; K300-E302 PolarHBondContact NZ-OE2 3.46Å; K300-K320 VanDerWaalsContact CA-O 3.31Å; K300-K320 WeakPolarHBondContact CA-O 3.42Å; K300-K320 HydrophobicContact CG-CB 4.25Å |
| 301 | G | 65.5 | Low | 77.6 | Confident | 11 Ų | 11 | 42 Ų | 42 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | 148.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G281 K320 G321 E322 | G281-G301 WeakPolarHBondContact O-CA 3.43Å; G301-K320 PolarHBondContact N-O 3.03Å; G301-G321 WeakPolarHBondContact O-CA 3.39Å; G301-E322 PolarHBondContact O-N 3.16Å |
| 302 | E | 69.7 | Low | 78.2 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.3 | 179.1 | -71.9 | 102 | -98.6 | 0 | 0 | 111.2 | E282 G283 K300 A304 E322 | E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.36Å; E282-E302 HydrophobicContact CG-CB 4.09Å; G283-E302 PolarHBondContact N-O 2.97Å; K300-E302 WeakPolarHBondContact CE-OE1 3.19Å; K300-E302 IonicContact NZ-OE1 2.65Å; K300-E302 PolarHBondContact NZ-OE1 3.09Å; K300-E302 IonicContact NZ-OE2 2.72Å; K300-E302 PolarHBondContact NZ-OE2 3.46Å; E302-A304 PolarHBondContact O-N 3.4Å; E302-E322 CarbonylContact C-O 3.56Å; E302-E322 VanDerWaalsContact CA-O 3.31Å; E302-E322 WeakPolarHBondContact CA-O 3.36Å; E302-E322 HydrophobicContact CG-CB 3.92Å |
| 303 | G | 68.4 | Low | 78.2 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | trans | 69.1 | 33.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q305 E322 | G303-Q305 PolarHBondContact O-N 3.23Å; G303-E322 PolarHBondContact N-O 2.92Å | ||
| 304 | A | 82 | Confident | 78.8 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | trans | -73.4 | 122.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A284 N296 E302 A324 Q325 | A284-A304 CarbonylContact O-C 3.54Å; A284-A304 WeakPolarHBondContact O-CA 3.31Å; N296-A304 HydrophobicContact CB-CB 3.99Å; E302-A304 PolarHBondContact O-N 3.4Å; A304-A324 CarbonylContact O-C 3.49Å; A304-A324 WeakPolarHBondContact O-CA 3.27Å; A304-Q325 PolarHBondContact O-N 2.6Å | ||
| 305 | Q | 86.1 | Confident | 79 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.7 | -172.1 | -63 | -180 | -29 | 0 | 0 | 113.5 | A284 Q285 N286 N296 G303 Q325 | A284-Q305 PolarHBondContact O-N 2.73Å; Q285-Q305 CarbonylContact C-O 3.45Å; Q285-Q305 VanDerWaalsContact CA-O 3.32Å; Q285-Q305 WeakPolarHBondContact CA-O 3.46Å; Q285-Q305 HydrophobicContact CG-CB 4.33Å; N286-Q305 PolarHBondContact N-O 2.85Å; N296-Q305 PolarHBondContact ND2-O 3.23Å; G303-Q305 PolarHBondContact O-N 3.23Å; Q305-Q325 CarbonylContact C-O 3.6Å; Q305-Q325 WeakPolarHBondContact CA-O 3.45Å; Q305-Q325 HydrophobicContact CG-CB 4.28Å |
| 306 | N | 85.4 | Confident | 79 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.7 | 166.5 | -57.9 | -58.8 | 0 | 0 | 0 | 110.1 | N286 N296 A314 N316 Q325 N326 Q327 | N286-N306 WeakPolarHBondContact CB-OD1 2.93Å; N286-N306 PolarHBondContact ND2-OD1 2.87Å; N286-N306 CarbonylContact O-C 3.57Å; N286-N306 WeakPolarHBondContact O-CA 3.4Å; N296-N306 PolarHBondContact ND2-OD1 3.39Å; N296-N306 VanDerWaalsContact ND2-OD1 3.08Å; N306-A314 HydrophobicContact CB-CB 4.05Å; N306-N316 PolarHBondContact ND2-OD1 2.89Å; N306-Q325 PolarHBondContact N-O 3.31Å; N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.86Å; N306-N326 CarbonylContact O-C 3.36Å; N306-N326 WeakPolarHBondContact O-CA 2.77Å; N306-Q327 PolarHBondContact O-N 2.86Å |
| 307 | Q | 85.4 | Confident | 78.9 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 120.9 | -178.2 | -55.6 | -167.5 | 28 | 0 | 0 | 112.2 | N286 Q287 G288 Q327 | N286-Q307 PolarHBondContact O-N 2.94Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.29Å; Q287-Q307 WeakPolarHBondContact CA-O 3.34Å; Q287-Q307 HydrophobicContact CG-CB 4.44Å; G288-Q307 PolarHBondContact N-O 3.25Å; Q307-Q327 WeakPolarHBondContact CA-O 3.31Å; Q307-Q327 HydrophobicContact CG-CB 4.43Å |
| 308 | A | 82.1 | Confident | 78.5 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G288 Q327 S328 K329 | G288-A308 WeakPolarHBondContact O-CA 3.42Å; A308-Q327 PolarHBondContact N-O 2.98Å; A308-S328 WeakPolarHBondContact O-CA 2.96Å; A308-S328 WeakPolarHBondContact O-CB 3.31Å; A308-K329 PolarHBondContact O-N 2.75Å |
| 309 | K | 79 | Confident | 78.3 | Confident | 115 Ų | 115 | 48 Ų | 48 | 50% | 0.5 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -50.9 | 171.6 | -62.7 | -172.8 | -178.5 | -175.9 | 0 | 111.1 | G288 K289 K329 K330 | G288-K309 PolarHBondContact O-N 2.68Å; K289-K309 HydrophobicContact CG-CD 4.41Å; K289-K309 WeakPolarHBondContact O-CB 3.33Å; K289-K309 PolarHBondContact O-N 2.96Å; K309-K329 WeakPolarHBondContact O-CB 3.41Å; K309-K329 PolarHBondContact O-N 2.84Å; K309-K330 PolarHBondContact O-N 3.3Å |
| 310 | K | 81.8 | Confident | 78.3 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.2 | 157.7 | -174 | -166.4 | 174.7 | -150.7 | 0 | 107.6 | K289 K290 G291 E292 K330 | K289-K310 PolarHBondContact O-N 2.69Å; K290-K310 WeakPolarHBondContact CA-O 3.36Å; G291-K310 PolarHBondContact N-O 3.45Å; E292-K310 IonicContact OE1-NZ 2.85Å; K310-K330 WeakPolarHBondContact CA-O 3.42Å |
| 311 | G | 73.7 | Confident | 78.1 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | G291 K330 G331 E332 | G291-G311 CarbonylContact O-C 3.53Å; G291-G311 VanDerWaalsContact O-CA 3.26Å; G291-G311 WeakPolarHBondContact O-CA 3.34Å; G311-K330 PolarHBondContact N-O 3.33Å; G311-G331 VanDerWaalsContact O-CA 3.29Å; G311-G331 WeakPolarHBondContact O-CA 3.39Å; G311-E332 PolarHBondContact O-N 2.85Å |
| 312 | E | 79.8 | Confident | 78.3 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139 | 173.4 | -159.3 | 168 | 142.2 | 0 | 0 | 111 | G291 E292 G293 A314 E332 | G291-E312 PolarHBondContact O-N 2.94Å; E292-E312 CarbonylContact C-O 3.54Å; E292-E312 WeakPolarHBondContact CA-O 3.26Å; E292-E312 HydrophobicContact CB-CB 4.26Å; E292-E312 HydrophobicContact CG-CB 3.83Å; G293-E312 PolarHBondContact N-O 2.96Å; E312-A314 VanDerWaalsContact C-N 3.33Å; E312-A314 PolarHBondContact O-N 3.39Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 WeakPolarHBondContact CA-O 3.39Å; E312-E332 HydrophobicContact CG-CB 3.97Å |
| 313 | G | 77 | Confident | 78.3 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 62.2 | 31.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q315 E332 | G313-Q315 PolarHBondContact O-N 2.91Å; G313-E332 PolarHBondContact N-O 3.49Å |
| 314 | A | 84.5 | Confident | 79 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 13% | 0.132 | 25% | 0.252 | C | S | . | . | trans | -72.1 | 122.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A294 N306 E312 A334 Q335 | A294-A314 CarbonylContact O-C 3.53Å; A294-A314 VanDerWaalsContact O-CA 3.29Å; A294-A314 WeakPolarHBondContact O-CA 3.42Å; N306-A314 HydrophobicContact CB-CB 4.05Å; E312-A314 VanDerWaalsContact C-N 3.33Å; E312-A314 PolarHBondContact O-N 3.39Å; A314-A334 CarbonylContact O-C 3.53Å; A314-A334 VanDerWaalsContact O-CA 3.31Å; A314-A334 WeakPolarHBondContact O-CA 3.29Å; A314-Q335 PolarHBondContact O-N 2.87Å | ||
| 315 | Q | 87.1 | Confident | 79.2 | Confident | 43 Ų | 43 | 47.7 Ų | 47.7 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.6 | -173.9 | -58.3 | -175.7 | -11 | 0 | 0 | 113.5 | A294 Q295 N296 G313 Q335 | A294-Q315 PolarHBondContact O-N 3.23Å; Q295-Q315 CarbonylContact C-O 3.54Å; Q295-Q315 VanDerWaalsContact CA-O 3.26Å; Q295-Q315 WeakPolarHBondContact CA-O 3.42Å; Q295-Q315 HydrophobicContact CG-CB 4.28Å; N296-Q315 PolarHBondContact N-O 2.94Å; G313-Q315 PolarHBondContact O-N 2.91Å; Q315-Q335 CarbonylContact C-O 3.5Å; Q315-Q335 WeakPolarHBondContact CA-O 3.42Å; Q315-Q335 HydrophobicContact CG-CB 4.26Å |
| 316 | N | 85.2 | Confident | 79.2 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.5 | 167 | -58.3 | -52.7 | 0 | 0 | 0 | 109.5 | N296 N306 A324 Q325 N326 Q335 N336 Q337 | N296-N316 WeakPolarHBondContact CB-OD1 3.43Å; N296-N316 PolarHBondContact ND2-OD1 2.85Å; N296-N316 CarbonylContact O-C 3.51Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; N306-N316 PolarHBondContact ND2-OD1 2.89Å; N316-A324 HydrophobicContact CB-CB 3.92Å; N316-Q325 PolarHBondContact ND2-O 2.87Å; N316-N326 PolarHBondContact ND2-OD1 2.84Å; N316-N326 VanDerWaalsContact ND2-OD1 3.12Å; N316-Q335 PolarHBondContact N-O 2.9Å; N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 2.76Å; N316-N336 CarbonylContact O-C 3.56Å; N316-N336 WeakPolarHBondContact O-CA 3.4Å; N316-Q337 PolarHBondContact O-N 3.18Å |
| 317 | Q | 83.3 | Confident | 79.3 | Confident | 70 Ų | 70 | 49 Ų | 49 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.8 | -178.3 | -55.4 | -168.1 | 25 | 0 | 0 | 112.7 | N296 Q297 A298 Q337 | N296-Q317 PolarHBondContact O-N 3.38Å; Q297-Q317 WeakPolarHBondContact CA-O 3.4Å; Q297-Q317 HydrophobicContact CG-CB 4.42Å; A298-Q317 PolarHBondContact N-O 2.89Å; Q317-Q337 CarbonylContact C-O 3.55Å; Q317-Q337 WeakPolarHBondContact CA-O 3.32Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å |
| 318 | G | 72.9 | Confident | 79.2 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 168.4 | 174 | 0 | 0 | 0 | 0 | 0 | 118.6 | A298 Q337 A338 K339 | A298-G318 WeakPolarHBondContact O-CA 3.36Å; G318-Q337 PolarHBondContact N-O 3.11Å; G318-A338 WeakPolarHBondContact O-CA 3.38Å; G318-K339 PolarHBondContact O-N 2.99Å |
| 319 | K | 73.2 | Confident | 79 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -46.1 | 175 | -56.2 | -172.2 | -178.4 | -172.3 | 0 | 111.9 | A298 K299 K339 K340 | A298-K319 PolarHBondContact O-N 3.44Å; K299-K319 WeakPolarHBondContact O-CB 3.24Å; K319-K339 HydrophobicContact CG-CD 4.33Å; K319-K339 WeakPolarHBondContact O-CB 3.32Å; K319-K340 PolarHBondContact O-N 2.91Å |
| 320 | K | 72.3 | Confident | 79.2 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136 | 161.7 | -69.9 | -172.9 | 176.7 | -173.2 | 0 | 107.2 | K299 K300 G301 K340 | K299-K320 PolarHBondContact O-N 3.35Å; K300-K320 VanDerWaalsContact CA-O 3.31Å; K300-K320 WeakPolarHBondContact CA-O 3.42Å; K300-K320 HydrophobicContact CG-CB 4.25Å; G301-K320 PolarHBondContact N-O 3.03Å; K320-K340 WeakPolarHBondContact CA-O 3.36Å |
| 321 | G | 65.5 | Low | 78.9 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 149.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G301 K340 G341 | G301-G321 WeakPolarHBondContact O-CA 3.39Å; G321-K340 PolarHBondContact N-O 3Å; G321-G341 WeakPolarHBondContact O-CA 3.33Å |
| 322 | E | 69.9 | Low | 79.2 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147 | -171.5 | -73.4 | 126.4 | -138.3 | 0 | 0 | 110.2 | G301 E302 G303 K340 E342 | G301-E322 PolarHBondContact O-N 3.16Å; E302-E322 CarbonylContact C-O 3.56Å; E302-E322 VanDerWaalsContact CA-O 3.31Å; E302-E322 WeakPolarHBondContact CA-O 3.36Å; E302-E322 HydrophobicContact CG-CB 3.92Å; G303-E322 PolarHBondContact N-O 2.92Å; E322-K340 IonicContact OE1-NZ 2.76Å; E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.37Å; E322-E342 HydrophobicContact CG-CB 4.07Å |
| 323 | G | 69.2 | Low | 79.1 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | 68 | 35.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E342 G343 | G323-E342 PolarHBondContact N-O 2.86Å; G323-G343 WeakPolarHBondContact CA-O 3.27Å | ||
| 324 | A | 83.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | trans | -75.5 | 123.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A304 N316 N336 G344 Q345 | A304-A324 CarbonylContact O-C 3.49Å; A304-A324 WeakPolarHBondContact O-CA 3.27Å; N316-A324 HydrophobicContact CB-CB 3.92Å; A324-N336 HydrophobicContact CB-CB 4.49Å; A324-G344 CarbonylContact O-C 3.57Å; A324-G344 WeakPolarHBondContact O-CA 3.37Å; A324-Q345 PolarHBondContact O-N 2.8Å | ||
| 325 | Q | 87 | Confident | 79.7 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 19% | 0.192 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.3 | -173.4 | -55.5 | -179.1 | -44 | 0 | 0 | 113.2 | A304 Q305 N306 N316 Q345 | A304-Q325 PolarHBondContact O-N 2.6Å; Q305-Q325 CarbonylContact C-O 3.6Å; Q305-Q325 WeakPolarHBondContact CA-O 3.45Å; Q305-Q325 HydrophobicContact CG-CB 4.28Å; N306-Q325 PolarHBondContact N-O 3.31Å; N316-Q325 PolarHBondContact ND2-O 2.87Å; Q325-Q345 CarbonylContact C-O 3.52Å; Q325-Q345 WeakPolarHBondContact CA-O 3.38Å; Q325-Q345 HydrophobicContact CG-CB 4.24Å |
| 326 | N | 86.6 | Confident | 79.6 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.1 | 164.9 | -57.9 | -60.5 | 0 | 0 | 0 | 109.6 | N306 N316 A334 Q335 N336 Q345 N346 Q347 | N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.86Å; N306-N326 CarbonylContact O-C 3.36Å; N306-N326 WeakPolarHBondContact O-CA 2.77Å; N316-N326 PolarHBondContact ND2-OD1 2.84Å; N316-N326 VanDerWaalsContact ND2-OD1 3.12Å; N326-A334 HydrophobicContact CB-CB 3.99Å; N326-Q335 PolarHBondContact ND2-O 3.37Å; N326-N336 PolarHBondContact ND2-OD1 2.98Å; N326-Q345 PolarHBondContact N-O 3.48Å; N326-N346 WeakPolarHBondContact CB-OD1 3.19Å; N326-N346 PolarHBondContact ND2-OD1 2.93Å; N326-N346 CarbonylContact O-C 3.53Å; N326-N346 WeakPolarHBondContact O-CA 3.45Å; N326-Q347 PolarHBondContact O-N 2.81Å |
| 327 | Q | 86.2 | Confident | 79.5 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135 | -179.2 | -57.2 | -167.9 | 20.7 | 0 | 0 | 112 | N306 Q307 A308 Q347 | N306-Q327 PolarHBondContact O-N 2.86Å; Q307-Q327 WeakPolarHBondContact CA-O 3.31Å; Q307-Q327 HydrophobicContact CG-CB 4.43Å; A308-Q327 PolarHBondContact N-O 2.98Å; Q327-Q347 CarbonylContact C-O 3.51Å; Q327-Q347 WeakPolarHBondContact CA-O 2.96Å; Q327-Q347 HydrophobicContact CG-CB 4.38Å |
| 328 | S | 82.7 | Confident | 79.3 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 167.2 | 177.3 | 68.1 | 0 | 0 | 0 | 0 | 116.5 | A308 G331 Q347 A348 K349 | A308-S328 WeakPolarHBondContact O-CA 2.96Å; A308-S328 WeakPolarHBondContact O-CB 3.31Å; S328-G331 WeakPolarHBondContact OG-CA 3.5Å; S328-G331 PolarHBondContact OG-N 3.09Å; S328-Q347 PolarHBondContact N-O 2.81Å; S328-A348 WeakPolarHBondContact O-CA 3Å; S328-K349 PolarHBondContact O-N 3.21Å |
| 329 | K | 79.9 | Confident | 79.3 | Confident | 114 Ų | 114 | 49.6 Ų | 49.6 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -54.1 | 165.4 | -60.6 | -174.8 | 179.9 | -172.6 | 0 | 111.2 | A308 K309 K349 K350 | A308-K329 PolarHBondContact O-N 2.75Å; K309-K329 WeakPolarHBondContact O-CB 3.41Å; K309-K329 PolarHBondContact O-N 2.84Å; K329-K349 HydrophobicContact CG-CD 4.49Å; K329-K349 WeakPolarHBondContact O-CA 3.25Å; K329-K349 WeakPolarHBondContact O-CB 3.08Å; K329-K349 PolarHBondContact O-N 3.41Å; K329-K350 PolarHBondContact O-N 2.91Å |
| 330 | K | 82.6 | Confident | 79.2 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.8 | 158.5 | -165.4 | -163.7 | -173.3 | -131.4 | 0 | 108.4 | K309 K310 G311 E332 K350 | K309-K330 PolarHBondContact O-N 3.3Å; K310-K330 WeakPolarHBondContact CA-O 3.42Å; G311-K330 PolarHBondContact N-O 3.33Å; K330-E332 WeakPolarHBondContact CE-OE1 3.43Å; K330-E332 IonicContact NZ-OE1 2.64Å; K330-E332 PolarHBondContact NZ-OE1 3.05Å; K330-E332 IonicContact NZ-OE2 3.49Å; K330-E332 PolarHBondContact NZ-OE2 2.8Å; K330-K350 WeakPolarHBondContact CA-O 3.44Å; K330-K350 HydrophobicContact CG-CB 4.45Å |
| 331 | G | 74.3 | Confident | 78.8 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 132.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G311 S328 K350 G351 E352 | G311-G331 VanDerWaalsContact O-CA 3.29Å; G311-G331 WeakPolarHBondContact O-CA 3.39Å; S328-G331 WeakPolarHBondContact OG-CA 3.5Å; S328-G331 PolarHBondContact OG-N 3.09Å; G331-K350 PolarHBondContact N-O 2.85Å; G331-G351 CarbonylContact O-C 3.53Å; G331-G351 VanDerWaalsContact O-CA 3.26Å; G331-G351 WeakPolarHBondContact O-CA 3.37Å; G331-E352 PolarHBondContact O-N 3.04Å |
| 332 | E | 80.2 | Confident | 78.8 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138 | 170.1 | -89.1 | 113 | -86.7 | 0 | 0 | 111 | G311 E312 G313 K330 A334 E352 | G311-E332 PolarHBondContact O-N 2.85Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 WeakPolarHBondContact CA-O 3.39Å; E312-E332 HydrophobicContact CG-CB 3.97Å; G313-E332 PolarHBondContact N-O 3.49Å; K330-E332 WeakPolarHBondContact CE-OE1 3.43Å; K330-E332 IonicContact NZ-OE1 2.64Å; K330-E332 PolarHBondContact NZ-OE1 3.05Å; K330-E332 IonicContact NZ-OE2 3.49Å; K330-E332 PolarHBondContact NZ-OE2 2.8Å; E332-A334 PolarHBondContact O-N 2.78Å; E332-E352 CarbonylContact C-O 3.54Å; E332-E352 WeakPolarHBondContact CA-O 2.96Å; E332-E352 HydrophobicContact CG-CB 4.06Å |
| 333 | G | 78.1 | Confident | 78.7 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 67.7 | 30.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | E352 | G333-E352 PolarHBondContact N-O 2.95Š|
| 334 | A | 85.4 | Confident | 79.1 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | trans | -70.1 | 128 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A314 N326 E332 A354 Q355 | A314-A334 CarbonylContact O-C 3.53Å; A314-A334 VanDerWaalsContact O-CA 3.31Å; A314-A334 WeakPolarHBondContact O-CA 3.29Å; N326-A334 HydrophobicContact CB-CB 3.99Å; E332-A334 PolarHBondContact O-N 2.78Å; A334-A354 CarbonylContact O-C 3.53Å; A334-A354 VanDerWaalsContact O-CA 3.31Å; A334-A354 WeakPolarHBondContact O-CA 3.3Å; A334-Q355 PolarHBondContact O-N 3.37Å | ||
| 335 | Q | 88.3 | Confident | 79.2 | Confident | 40 Ų | 40 | 42.3 Ų | 42.3 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.5 | -176.5 | -54.6 | -171.5 | 0.8 | 0 | 0 | 113.8 | A314 Q315 N316 N326 Q355 | A314-Q335 PolarHBondContact O-N 2.87Å; Q315-Q335 CarbonylContact C-O 3.5Å; Q315-Q335 WeakPolarHBondContact CA-O 3.42Å; Q315-Q335 HydrophobicContact CG-CB 4.26Å; N316-Q335 PolarHBondContact N-O 2.9Å; N326-Q335 PolarHBondContact ND2-O 3.37Å; Q335-Q355 CarbonylContact C-O 3.57Å; Q335-Q355 VanDerWaalsContact CA-O 3.29Å; Q335-Q355 WeakPolarHBondContact CA-O 3.33Å; Q335-Q355 HydrophobicContact CG-CB 4.3Å |
| 336 | N | 85.7 | Confident | 79.2 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.7 | 165.6 | -58 | -55.3 | 0 | 0 | 0 | 109.9 | N316 A324 N326 Q345 N346 Q355 N356 Q357 | N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 2.76Å; N316-N336 CarbonylContact O-C 3.56Å; N316-N336 WeakPolarHBondContact O-CA 3.4Å; A324-N336 HydrophobicContact CB-CB 4.49Å; N326-N336 PolarHBondContact ND2-OD1 2.98Å; N336-Q345 PolarHBondContact ND2-O 2.91Å; N336-N346 PolarHBondContact ND2-OD1 3.33Å; N336-N346 VanDerWaalsContact ND2-OD1 3.15Å; N336-Q355 PolarHBondContact N-O 3.12Å; N336-N356 WeakPolarHBondContact CB-OD1 3.43Å; N336-N356 PolarHBondContact ND2-OD1 3.29Å; N336-N356 CarbonylContact O-C 3.54Å; N336-N356 WeakPolarHBondContact O-CA 3.43Å; N336-Q357 PolarHBondContact O-N 3.07Å |
| 337 | Q | 84.2 | Confident | 79.1 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123 | -177.3 | -55.9 | -167 | 25.1 | 0 | 0 | 112.9 | N316 Q317 G318 Q357 | N316-Q337 PolarHBondContact O-N 3.18Å; Q317-Q337 CarbonylContact C-O 3.55Å; Q317-Q337 WeakPolarHBondContact CA-O 3.32Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å; G318-Q337 PolarHBondContact N-O 3.11Å; Q337-Q357 CarbonylContact C-O 3.57Å; Q337-Q357 WeakPolarHBondContact CA-O 3.29Å; Q337-Q357 HydrophobicContact CG-CB 4.4Å |
| 338 | A | 77.9 | Confident | 79 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G318 Q357 A358 K359 | G318-A338 WeakPolarHBondContact O-CA 3.38Å; A338-Q357 PolarHBondContact N-O 2.94Å; A338-A358 WeakPolarHBondContact O-CA 3.42Å; A338-K359 PolarHBondContact O-N 2.83Å; A338-K359 VanDerWaalsContact O-N 3.09Å |
| 339 | K | 72.8 | Confident | 78.7 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 48% | 0.478 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -50.5 | 168.2 | -58.7 | -176.2 | -176.9 | -178 | 0 | 111.9 | G318 K319 K359 K360 | G318-K339 PolarHBondContact O-N 2.99Å; K319-K339 HydrophobicContact CG-CD 4.33Å; K319-K339 WeakPolarHBondContact O-CB 3.32Å; K339-K359 HydrophobicContact CG-CD 4.35Å; K339-K359 VanDerWaalsContact O-CB 3.32Å; K339-K359 WeakPolarHBondContact O-CB 3.35Å; K339-K360 PolarHBondContact O-N 3.13Å |
| 340 | K | 71.5 | Confident | 78.7 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.2 | 150.7 | -177.5 | -166 | 175.4 | -75.6 | 0 | 107.1 | K319 K320 G321 E322 E342 K360 | K319-K340 PolarHBondContact O-N 2.91Å; K320-K340 WeakPolarHBondContact CA-O 3.36Å; G321-K340 PolarHBondContact N-O 3Å; E322-K340 IonicContact OE1-NZ 2.76Å; K340-E342 WeakPolarHBondContact CE-OE1 3.44Å; K340-E342 IonicContact NZ-OE1 2.63Å; K340-E342 PolarHBondContact NZ-OE1 2.91Å; K340-E342 IonicContact NZ-OE2 3.99Å; K340-E342 PolarHBondContact NZ-OE2 3.48Å; K340-K360 VanDerWaalsContact CA-O 3.31Å; K340-K360 WeakPolarHBondContact CA-O 3.37Å |
| 341 | G | 63.7 | Low | 78.2 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | 151.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G321 K360 G361 | G321-G341 WeakPolarHBondContact O-CA 3.33Å; G341-K360 PolarHBondContact N-O 3.03Å; G341-G361 WeakPolarHBondContact O-CA 3.46Å |
| 342 | E | 65.7 | Low | 78.4 | Confident | 57 Ų | 57 | 42.6 Ų | 42.6 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.4 | 177.5 | -71.6 | 100.8 | -111.1 | 0 | 0 | 110.8 | E322 G323 K340 E362 | E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.37Å; E322-E342 HydrophobicContact CG-CB 4.07Å; G323-E342 PolarHBondContact N-O 2.86Å; K340-E342 WeakPolarHBondContact CE-OE1 3.44Å; K340-E342 IonicContact NZ-OE1 2.63Å; K340-E342 PolarHBondContact NZ-OE1 2.91Å; K340-E342 IonicContact NZ-OE2 3.99Å; K340-E342 PolarHBondContact NZ-OE2 3.48Å; E342-E362 WeakPolarHBondContact CA-O 3.49Å; E342-E362 HydrophobicContact CG-CB 3.9Å |
| 343 | G | 67.9 | Low | 78.2 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | trans | 71.6 | 40.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G323 E362 G363 | G323-G343 WeakPolarHBondContact CA-O 3.27Å; G343-E362 PolarHBondContact N-O 3.16Å; G343-G363 WeakPolarHBondContact CA-O 3.41Å | ||
| 344 | G | 77.6 | Confident | 78.5 | Confident | 15 Ų | 15 | 41 Ų | 41 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | trans | -74.7 | 120.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A324 A364 Q365 | A324-G344 CarbonylContact O-C 3.57Å; A324-G344 WeakPolarHBondContact O-CA 3.37Å; G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.32Å; G344-Q365 PolarHBondContact O-N 3.32Å | ||
| 345 | Q | 85.9 | Confident | 78.6 | Confident | 41 Ų | 41 | 42 Ų | 42 | 19% | 0.192 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.2 | -173.8 | -57.9 | -175.3 | -27.2 | 0 | 0 | 113.4 | A324 Q325 N326 N336 Q365 | A324-Q345 PolarHBondContact O-N 2.8Å; Q325-Q345 CarbonylContact C-O 3.52Å; Q325-Q345 WeakPolarHBondContact CA-O 3.38Å; Q325-Q345 HydrophobicContact CG-CB 4.24Å; N326-Q345 PolarHBondContact N-O 3.48Å; N336-Q345 PolarHBondContact ND2-O 2.91Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.27Å; Q345-Q365 WeakPolarHBondContact CA-O 3.31Å; Q345-Q365 HydrophobicContact CG-CB 4.29Å |
| 346 | N | 85.9 | Confident | 78.4 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.1 | 166.2 | -56.4 | -64.6 | 0 | 0 | 0 | 110.6 | N326 N336 A354 N356 Q365 N366 Q367 | N326-N346 WeakPolarHBondContact CB-OD1 3.19Å; N326-N346 PolarHBondContact ND2-OD1 2.93Å; N326-N346 CarbonylContact O-C 3.53Å; N326-N346 WeakPolarHBondContact O-CA 3.45Å; N336-N346 PolarHBondContact ND2-OD1 3.33Å; N336-N346 VanDerWaalsContact ND2-OD1 3.15Å; N346-A354 HydrophobicContact CB-CB 4.07Å; N346-N356 PolarHBondContact ND2-OD1 2.85Å; N346-Q365 PolarHBondContact N-O 3.05Å; N346-N366 WeakPolarHBondContact CB-OD1 3.32Å; N346-N366 PolarHBondContact ND2-OD1 2.99Å; N346-N366 CarbonylContact O-C 3.5Å; N346-N366 WeakPolarHBondContact O-CA 3.36Å; N346-Q367 PolarHBondContact O-N 2.96Å |
| 347 | Q | 85.5 | Confident | 78.3 | Confident | 66 Ų | 66 | 43 Ų | 43 | 31% | 0.308 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132 | -179.9 | -56.3 | -169.2 | 19.3 | 0 | 0 | 112.1 | N326 Q327 S328 Q367 | N326-Q347 PolarHBondContact O-N 2.81Å; Q327-Q347 CarbonylContact C-O 3.51Å; Q327-Q347 WeakPolarHBondContact CA-O 2.96Å; Q327-Q347 HydrophobicContact CG-CB 4.38Å; S328-Q347 PolarHBondContact N-O 2.81Å; Q347-Q367 CarbonylContact C-O 3.54Å; Q347-Q367 WeakPolarHBondContact CA-O 3.41Å; Q347-Q367 HydrophobicContact CG-CB 4.38Å |
| 348 | A | 82.4 | Confident | 77.9 | Confident | 20 Ų | 20 | 41 Ų | 41 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S328 Q367 A368 K369 | S328-A348 WeakPolarHBondContact O-CA 3Å; A348-Q367 PolarHBondContact N-O 2.96Å; A348-A368 WeakPolarHBondContact O-CA 3.43Å; A348-K369 PolarHBondContact O-N 3.1Å |
| 349 | K | 78.1 | Confident | 77.7 | Confident | 115 Ų | 115 | 45.1 Ų | 45.1 | 50% | 0.5 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -51 | 164.6 | -60.7 | -170.3 | -179.5 | -170.8 | 0 | 111.1 | S328 K329 K369 K370 | S328-K349 PolarHBondContact O-N 3.21Å; K329-K349 HydrophobicContact CG-CD 4.49Å; K329-K349 WeakPolarHBondContact O-CA 3.25Å; K329-K349 WeakPolarHBondContact O-CB 3.08Å; K329-K349 PolarHBondContact O-N 3.41Å; K349-K369 WeakPolarHBondContact O-CB 3.49Å; K349-K369 PolarHBondContact O-N 2.92Å; K349-K370 PolarHBondContact O-N 2.93Å |
| 350 | K | 80 | Confident | 77.6 | Confident | 75 Ų | 75 | 44 Ų | 44 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.6 | 157.4 | -163 | -159.5 | -172.6 | -144.7 | 0 | 107.7 | K329 K330 G331 E352 K370 | K329-K350 PolarHBondContact O-N 2.91Å; K330-K350 WeakPolarHBondContact CA-O 3.44Å; K330-K350 HydrophobicContact CG-CB 4.45Å; G331-K350 PolarHBondContact N-O 2.85Å; K350-E352 WeakPolarHBondContact CD-OE1 3.38Å; K350-E352 WeakPolarHBondContact CE-OE1 3.39Å; K350-E352 IonicContact NZ-OE1 2.76Å; K350-E352 PolarHBondContact NZ-OE1 2.8Å; K350-E352 IonicContact NZ-OE2 2.75Å; K350-K370 WeakPolarHBondContact CA-O 3.34Å; K350-K370 HydrophobicContact CG-CB 4.4Å |
| 351 | G | 71.4 | Confident | 77.2 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 132.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G331 K370 G371 E372 | G331-G351 CarbonylContact O-C 3.53Å; G331-G351 VanDerWaalsContact O-CA 3.26Å; G331-G351 WeakPolarHBondContact O-CA 3.37Å; G351-K370 PolarHBondContact N-O 2.97Å; G351-G371 VanDerWaalsContact O-CA 3.27Å; G351-G371 WeakPolarHBondContact O-CA 3.4Å; G351-E372 PolarHBondContact O-N 3.13Å; G351-E372 VanDerWaalsContact O-N 3.09Å |
| 352 | E | 78 | Confident | 77.4 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.2 | 178.5 | -71.7 | 144.1 | -112.5 | 0 | 0 | 110.4 | G331 E332 G333 K350 A354 E372 | G331-E352 PolarHBondContact O-N 3.04Å; E332-E352 CarbonylContact C-O 3.54Å; E332-E352 WeakPolarHBondContact CA-O 2.96Å; E332-E352 HydrophobicContact CG-CB 4.06Å; G333-E352 PolarHBondContact N-O 2.95Å; K350-E352 WeakPolarHBondContact CD-OE1 3.38Å; K350-E352 WeakPolarHBondContact CE-OE1 3.39Å; K350-E352 IonicContact NZ-OE1 2.76Å; K350-E352 PolarHBondContact NZ-OE1 2.8Å; K350-E352 IonicContact NZ-OE2 2.75Å; E352-A354 PolarHBondContact O-N 3.03Å; E352-E372 WeakPolarHBondContact CA-O 3.35Å; E352-E372 HydrophobicContact CG-CB 4.03Å |
| 353 | G | 75.8 | Confident | 77.6 | Confident | 26 Ų | 26 | 41.7 Ų | 41.7 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 70.2 | 29.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E372 | G353-E372 PolarHBondContact N-O 3.3Š|
| 354 | A | 84.6 | Confident | 78.2 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | trans | -70.9 | 128.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A334 N346 E352 V374 Q375 | A334-A354 CarbonylContact O-C 3.53Å; A334-A354 VanDerWaalsContact O-CA 3.31Å; A334-A354 WeakPolarHBondContact O-CA 3.3Å; N346-A354 HydrophobicContact CB-CB 4.07Å; E352-A354 PolarHBondContact O-N 3.03Å; A354-V374 CarbonylContact O-C 3.57Å; A354-V374 WeakPolarHBondContact O-CA 3.33Å; A354-Q375 PolarHBondContact O-N 3.27Å | ||
| 355 | Q | 87.2 | Confident | 78.6 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.8 | -176.1 | -55.1 | -169.3 | 6.5 | 0 | 0 | 114.4 | A334 Q335 N336 Q375 | A334-Q355 PolarHBondContact O-N 3.37Å; Q335-Q355 CarbonylContact C-O 3.57Å; Q335-Q355 VanDerWaalsContact CA-O 3.29Å; Q335-Q355 WeakPolarHBondContact CA-O 3.33Å; Q335-Q355 HydrophobicContact CG-CB 4.3Å; N336-Q355 PolarHBondContact N-O 3.12Å; Q355-Q375 CarbonylContact C-O 3.6Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 3.32Å; Q355-Q375 HydrophobicContact CG-CB 4.28Å |
| 356 | N | 84.9 | Confident | 78.6 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | 164.5 | -57.4 | -53.8 | 0 | 0 | 0 | 110.2 | N336 N346 A364 Q365 N366 Q375 N376 Q377 | N336-N356 WeakPolarHBondContact CB-OD1 3.43Å; N336-N356 PolarHBondContact ND2-OD1 3.29Å; N336-N356 CarbonylContact O-C 3.54Å; N336-N356 WeakPolarHBondContact O-CA 3.43Å; N346-N356 PolarHBondContact ND2-OD1 2.85Å; N356-A364 HydrophobicContact CB-CB 3.97Å; N356-Q365 PolarHBondContact ND2-O 2.9Å; N356-N366 PolarHBondContact ND2-ND2 3.41Å; N356-N366 PolarHBondContact ND2-OD1 3.39Å; N356-Q375 PolarHBondContact N-O 2.86Å; N356-N376 WeakPolarHBondContact CB-OD1 3.38Å; N356-N376 PolarHBondContact ND2-OD1 2.93Å; N356-N376 CarbonylContact O-C 3.54Å; N356-N376 WeakPolarHBondContact O-CA 3.42Å; N356-Q377 PolarHBondContact O-N 2.83Å |
| 357 | Q | 82.9 | Confident | 78.5 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.8 | -179.2 | -55.9 | -168.1 | 24.4 | 0 | 0 | 112.4 | N336 Q337 A338 Q377 | N336-Q357 PolarHBondContact O-N 3.07Å; Q337-Q357 CarbonylContact C-O 3.57Å; Q337-Q357 WeakPolarHBondContact CA-O 3.29Å; Q337-Q357 HydrophobicContact CG-CB 4.4Å; A338-Q357 PolarHBondContact N-O 2.94Å; Q357-Q377 WeakPolarHBondContact CA-O 3.44Å; Q357-Q377 HydrophobicContact CG-CB 4.41Å |
| 358 | A | 76.6 | Confident | 78.3 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A338 Q377 A378 K379 | A338-A358 WeakPolarHBondContact O-CA 3.42Å; A358-Q377 PolarHBondContact N-O 2.98Å; A358-A378 WeakPolarHBondContact O-CA 3.36Å; A358-K379 PolarHBondContact O-N 3.35Å |
| 359 | K | 72.3 | Confident | 78.1 | Confident | 114 Ų | 114 | 47 Ų | 47 | 50% | 0.496 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -51.1 | 166.8 | -59.9 | -167.1 | 179.7 | -168.3 | 0 | 112 | A338 K339 K379 K380 | A338-K359 PolarHBondContact O-N 2.83Å; A338-K359 VanDerWaalsContact O-N 3.09Å; K339-K359 HydrophobicContact CG-CD 4.35Å; K339-K359 VanDerWaalsContact O-CB 3.32Å; K339-K359 WeakPolarHBondContact O-CB 3.35Å; K359-K379 HydrophobicContact CG-CD 4.47Å; K359-K379 CarbonylContact O-C 3.51Å; K359-K380 PolarHBondContact O-N 3.04Å |
| 360 | K | 70.8 | Confident | 78.1 | Confident | 85 Ų | 85 | 45.2 Ų | 45.2 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.2 | 154.1 | -172 | -164.9 | 176.2 | -140.9 | 0 | 107.7 | K339 K340 G341 E362 K380 | K339-K360 PolarHBondContact O-N 3.13Å; K340-K360 VanDerWaalsContact CA-O 3.31Å; K340-K360 WeakPolarHBondContact CA-O 3.37Å; G341-K360 PolarHBondContact N-O 3.03Å; K360-E362 WeakPolarHBondContact CE-OE1 3.48Å; K360-E362 IonicContact NZ-OE1 2.61Å; K360-E362 PolarHBondContact NZ-OE1 2.85Å; K360-K380 WeakPolarHBondContact CA-O 3.49Å; K360-K380 WeakPolarHBondContact CG-O 3.19Å |
| 361 | G | 64.4 | Low | 77.6 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | 168.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G341 V382 | G341-G361 WeakPolarHBondContact O-CA 3.46Å; G361-V382 PolarHBondContact O-N 2.74Å |
| 362 | E | 67.6 | Low | 77.8 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.3 | -174.7 | -71 | 133.1 | -130.8 | 0 | 0 | 109.4 | E342 G343 K360 A364 V382 E383 | E342-E362 WeakPolarHBondContact CA-O 3.49Å; E342-E362 HydrophobicContact CG-CB 3.9Å; G343-E362 PolarHBondContact N-O 3.16Å; K360-E362 WeakPolarHBondContact CE-OE1 3.48Å; K360-E362 IonicContact NZ-OE1 2.61Å; K360-E362 PolarHBondContact NZ-OE1 2.85Å; E362-A364 PolarHBondContact O-N 3.38Å; E362-V382 HydrophobicContact CG-CB 3.45Å; E362-V382 VanDerWaalsContact CG-CB 3.45Å; E362-V382 HydrophobicContact CG-CG1 3.86Å; E362-E383 WeakPolarHBondContact CA-O 3.37Å |
| 363 | G | 68.8 | Low | 77.6 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 27% | 0.268 | 23% | 0.229 | S | C | . | . | trans | 67 | 34.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117 | G343 Q365 E383 G384 | G343-G363 WeakPolarHBondContact CA-O 3.41Å; G363-Q365 PolarHBondContact O-N 3.47Å; G363-E383 PolarHBondContact N-O 2.88Å; G363-G384 CarbonylContact C-O 3.57Å; G363-G384 WeakPolarHBondContact CA-O 3.34Å | ||
| 364 | A | 80.8 | Confident | 77.9 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | trans | -76 | 116.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G344 N356 E362 G384 A385 Q386 | G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.32Å; N356-A364 HydrophobicContact CB-CB 3.97Å; E362-A364 PolarHBondContact O-N 3.38Å; A364-G384 PolarHBondContact N-O 3.43Å; A364-A385 CarbonylContact O-C 3.58Å; A364-A385 VanDerWaalsContact O-CA 3.32Å; A364-A385 WeakPolarHBondContact O-CA 3.4Å; A364-Q386 PolarHBondContact O-N 2.72Å | ||
| 365 | Q | 85.8 | Confident | 78 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.4 | -173.3 | -61.6 | -179.9 | -36.7 | 0 | 0 | 113 | G344 Q345 N346 N356 G363 Q386 | G344-Q365 PolarHBondContact O-N 3.32Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.27Å; Q345-Q365 WeakPolarHBondContact CA-O 3.31Å; Q345-Q365 HydrophobicContact CG-CB 4.29Å; N346-Q365 PolarHBondContact N-O 3.05Å; N356-Q365 PolarHBondContact ND2-O 2.9Å; G363-Q365 PolarHBondContact O-N 3.47Å; Q365-Q386 CarbonylContact C-O 3.55Å; Q365-Q386 VanDerWaalsContact CA-O 3.31Å; Q365-Q386 WeakPolarHBondContact CA-O 3.4Å; Q365-Q386 HydrophobicContact CG-CB 4.33Å |
| 366 | N | 86.1 | Confident | 77.9 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.9 | 169 | -57.3 | -64.4 | 0 | 0 | 0 | 110.2 | N346 N356 V374 N376 Q386 N387 Q388 | N346-N366 WeakPolarHBondContact CB-OD1 3.32Å; N346-N366 PolarHBondContact ND2-OD1 2.99Å; N346-N366 CarbonylContact O-C 3.5Å; N346-N366 WeakPolarHBondContact O-CA 3.36Å; N356-N366 PolarHBondContact ND2-ND2 3.41Å; N356-N366 PolarHBondContact ND2-OD1 3.39Å; N366-V374 HydrophobicContact CB-CG1 3.38Å; N366-V374 VanDerWaalsContact CG-CG1 3.45Å; N366-V374 VanDerWaalsContact ND2-CG1 3.29Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.39Å; N366-N376 PolarHBondContact ND2-ND2 2.83Å; N366-N376 PolarHBondContact ND2-OD1 2.93Å; N366-Q386 PolarHBondContact N-O 3.19Å; N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.6Å; N366-N387 WeakPolarHBondContact O-CA 3.42Å; N366-Q388 PolarHBondContact O-N 2.9Å |
| 367 | Q | 84.3 | Confident | 77.7 | Confident | 75 Ų | 75 | 44 Ų | 44 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 116.7 | 179.6 | -55.7 | -169.9 | 16 | 0 | 0 | 111 | N346 Q347 A348 Q388 | N346-Q367 PolarHBondContact O-N 2.96Å; Q347-Q367 CarbonylContact C-O 3.54Å; Q347-Q367 WeakPolarHBondContact CA-O 3.41Å; Q347-Q367 HydrophobicContact CG-CB 4.38Å; A348-Q367 PolarHBondContact N-O 2.96Å; Q367-Q388 WeakPolarHBondContact CA-O 3.27Å; Q367-Q388 HydrophobicContact CG-CB 4.41Å |
| 368 | A | 81.2 | Confident | 77.4 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A348 Q388 G389 K390 | A348-A368 WeakPolarHBondContact O-CA 3.43Å; A368-Q388 PolarHBondContact N-O 3.48Å; A368-G389 WeakPolarHBondContact O-CA 3.46Å; A368-K390 PolarHBondContact O-N 2.95Å |
| 369 | K | 78.7 | Confident | 77.1 | Confident | 118 Ų | 118 | 46.7 Ų | 46.7 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -46.7 | 177.5 | -62.1 | -172.4 | -179.5 | -174.2 | 0 | 111.3 | A348 K349 K390 K391 | A348-K369 PolarHBondContact O-N 3.1Å; K349-K369 WeakPolarHBondContact O-CB 3.49Å; K349-K369 PolarHBondContact O-N 2.92Å; K369-K390 WeakPolarHBondContact O-CA 3.37Å; K369-K390 VanDerWaalsContact O-CB 3.24Å; K369-K390 WeakPolarHBondContact O-CB 3.35Å; K369-K390 PolarHBondContact O-N 3.2Å; K369-K391 PolarHBondContact O-N 2.9Å |
| 370 | K | 78 | Confident | 76.9 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 34% | 0.339 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.1 | 152.5 | -166.7 | -166.8 | -173.6 | -152.6 | 0 | 107.8 | K349 K350 G351 E372 K391 E393 | K349-K370 PolarHBondContact O-N 2.93Å; K350-K370 WeakPolarHBondContact CA-O 3.34Å; K350-K370 HydrophobicContact CG-CB 4.4Å; G351-K370 PolarHBondContact N-O 2.97Å; K370-E372 WeakPolarHBondContact CE-OE1 3.2Å; K370-E372 IonicContact NZ-OE1 2.68Å; K370-E372 PolarHBondContact NZ-OE1 2.97Å; K370-K391 WeakPolarHBondContact CA-O 3.36Å; K370-K391 HydrophobicContact CG-CB 4.35Å; K370-E393 WeakPolarHBondContact CE-OE1 3.36Å; K370-E393 IonicContact NZ-OE1 2.88Å |
| 371 | G | 69.1 | Low | 76.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G351 K391 G392 E393 | G351-G371 VanDerWaalsContact O-CA 3.27Å; G351-G371 WeakPolarHBondContact O-CA 3.4Å; G371-K391 PolarHBondContact N-O 2.92Å; G371-G392 WeakPolarHBondContact O-CA 3.34Å; G371-E393 PolarHBondContact O-N 3.34Å |
| 372 | E | 76 | Confident | 75.6 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135 | -179.9 | -59 | 167.8 | -132.9 | 0 | 0 | 109.6 | G351 E352 G353 K370 V374 E393 | G351-E372 PolarHBondContact O-N 3.13Å; G351-E372 VanDerWaalsContact O-N 3.09Å; E352-E372 WeakPolarHBondContact CA-O 3.35Å; E352-E372 HydrophobicContact CG-CB 4.03Å; G353-E372 PolarHBondContact N-O 3.3Å; K370-E372 WeakPolarHBondContact CE-OE1 3.2Å; K370-E372 IonicContact NZ-OE1 2.68Å; K370-E372 PolarHBondContact NZ-OE1 2.97Å; E372-V374 PolarHBondContact O-N 3.41Å; E372-E393 WeakPolarHBondContact CA-O 3.38Å; E372-E393 HydrophobicContact CG-CB 4.15Å; E372-E393 HydrophobicContact CG-CG 4.43Å |
| 373 | G | 73.3 | Confident | 75.2 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 69.5 | 29.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | E393 | G373-E393 PolarHBondContact N-O 2.88Š|
| 374 | V | 82.6 | Confident | 75 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | trans | -73.9 | 132.1 | -179.3 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | A354 N366 E372 N387 N395 Q396 | A354-V374 CarbonylContact O-C 3.57Å; A354-V374 WeakPolarHBondContact O-CA 3.33Å; N366-V374 HydrophobicContact CB-CG1 3.38Å; N366-V374 VanDerWaalsContact CG-CG1 3.45Å; N366-V374 VanDerWaalsContact ND2-CG1 3.29Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.39Å; E372-V374 PolarHBondContact O-N 3.41Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.14Å; V374-N395 CarbonylContact O-C 3.52Å; V374-N395 WeakPolarHBondContact O-CA 3.47Å; V374-Q396 PolarHBondContact O-N 2.93Å | ||
| 375 | Q | 85.9 | Confident | 74.9 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137 | -176.8 | -53.2 | -170.6 | 15.7 | 0 | 0 | 115.2 | A354 Q355 N356 Q396 | A354-Q375 PolarHBondContact O-N 3.27Å; Q355-Q375 CarbonylContact C-O 3.6Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 3.32Å; Q355-Q375 HydrophobicContact CG-CB 4.28Å; N356-Q375 PolarHBondContact N-O 2.86Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.3Å; Q375-Q396 WeakPolarHBondContact CA-O 3.34Å; Q375-Q396 HydrophobicContact CG-CB 4.29Å |
| 376 | N | 84.9 | Confident | 74.9 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131 | 164.2 | -61.5 | -51.8 | 0 | 0 | 0 | 110.4 | N356 N366 A385 N387 Q396 N397 Q398 | N356-N376 WeakPolarHBondContact CB-OD1 3.38Å; N356-N376 PolarHBondContact ND2-OD1 2.93Å; N356-N376 CarbonylContact O-C 3.54Å; N356-N376 WeakPolarHBondContact O-CA 3.42Å; N366-N376 PolarHBondContact ND2-ND2 2.83Å; N366-N376 PolarHBondContact ND2-OD1 2.93Å; N376-A385 HydrophobicContact CB-CB 4.08Å; N376-N387 PolarHBondContact ND2-OD1 2.65Å; N376-Q396 PolarHBondContact N-O 3.28Å; N376-N397 WeakPolarHBondContact CB-OD1 3.3Å; N376-N397 PolarHBondContact ND2-OD1 3.49Å; N376-N397 CarbonylContact O-C 3.53Å; N376-N397 WeakPolarHBondContact O-CA 3Å; N376-Q398 PolarHBondContact O-N 2.88Å |
| 377 | Q | 81.9 | Confident | 74.8 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 122.8 | -179.3 | -56.9 | -169 | 19.2 | 0 | 0 | 112.9 | N356 Q357 A358 Q398 | N356-Q377 PolarHBondContact O-N 2.83Å; Q357-Q377 WeakPolarHBondContact CA-O 3.44Å; Q357-Q377 HydrophobicContact CG-CB 4.41Å; A358-Q377 PolarHBondContact N-O 2.98Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.46Å; Q377-Q398 HydrophobicContact CG-CB 4.42Å |
| 378 | A | 75.9 | Confident | 74.8 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A358 Q398 A399 K400 | A358-A378 WeakPolarHBondContact O-CA 3.36Å; A378-Q398 PolarHBondContact N-O 2.9Å; A378-A399 WeakPolarHBondContact O-CA 3.38Å; A378-K400 PolarHBondContact O-N 3.02Å |
| 379 | K | 71.6 | Confident | 74.7 | Confident | 118 Ų | 118 | 49.9 Ų | 49.9 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -24.6 | 179.3 | -62.2 | -177.9 | -177.7 | 174.5 | 0 | 114.1 | A358 K359 K400 | A358-K379 PolarHBondContact O-N 3.35Å; K359-K379 HydrophobicContact CG-CD 4.47Å; K359-K379 CarbonylContact O-C 3.51Å; K379-K400 HydrophobicContact CB-CD 4.49Å; K379-K400 WeakPolarHBondContact O-CB 3.31Å |
| 380 | K | 66.6 | Low | 74.8 | Confident | 153 Ų | 153 | 49.8 Ų | 49.8 | 67% | 0.665 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 80.4 | 166.1 | -71.6 | -174.2 | 178.1 | -177.4 | 0 | 106.8 | K359 K360 | K359-K380 PolarHBondContact O-N 3.04Å; K360-K380 WeakPolarHBondContact CA-O 3.49Å; K360-K380 WeakPolarHBondContact CG-O 3.19Å |
| 381 | G | 57.3 | Low | 74.8 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 148.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K401 G402 | G381-K401 WeakPolarHBondContact CA-O 3.48Å; G381-K401 PolarHBondContact N-O 3.15Å; G381-G402 WeakPolarHBondContact O-CA 3.25Å |
| 382 | V | 51.5 | Low | 74.7 | Confident | 64 Ų | 64 | 49 Ų | 49 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | trans | -104.8 | 174.3 | 140.4 | 173.6 | 0 | 0 | 0 | 0 | 105.4 | G361 E362 | G361-V382 PolarHBondContact O-N 2.74Å; E362-V382 HydrophobicContact CG-CB 3.45Å; E362-V382 VanDerWaalsContact CG-CB 3.45Å; E362-V382 HydrophobicContact CG-CG1 3.86Å | ||
| 383 | E | 59.1 | Low | 74.6 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -24.4 | 157.8 | -170.2 | -67.7 | 149.5 | -113.1 | 0 | 0 | 121.7 | E362 G363 E403 | E362-E383 WeakPolarHBondContact CA-O 3.37Å; G363-E383 PolarHBondContact N-O 2.88Å; E383-E403 HydrophobicContact CG-CB 4.32Å; E383-E403 HydrophobicContact CG-CG 4.34Å |
| 384 | G | 65.1 | Low | 74.5 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | trans | 93.3 | 28 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | G363 A364 Q386 | G363-G384 CarbonylContact C-O 3.57Å; G363-G384 WeakPolarHBondContact CA-O 3.34Å; A364-G384 PolarHBondContact N-O 3.43Å; G384-Q386 PolarHBondContact O-N 2.82Å | ||
| 385 | A | 79 | Confident | 74.4 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | trans | -73.7 | 108.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A364 N376 G405 Q406 | A364-A385 CarbonylContact O-C 3.58Å; A364-A385 VanDerWaalsContact O-CA 3.32Å; A364-A385 WeakPolarHBondContact O-CA 3.4Å; N376-A385 HydrophobicContact CB-CB 4.08Å; A385-G405 CarbonylContact O-C 3.52Å; A385-G405 WeakPolarHBondContact O-CA 3.39Å; A385-Q406 PolarHBondContact O-N 2.97Å | ||
| 386 | Q | 84.3 | Confident | 74.4 | Confident | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.1 | -173.1 | -59.3 | -179.1 | -47.8 | 0 | 0 | 112.8 | A364 Q365 N366 G384 Q406 | A364-Q386 PolarHBondContact O-N 2.72Å; Q365-Q386 CarbonylContact C-O 3.55Å; Q365-Q386 VanDerWaalsContact CA-O 3.31Å; Q365-Q386 WeakPolarHBondContact CA-O 3.4Å; Q365-Q386 HydrophobicContact CG-CB 4.33Å; N366-Q386 PolarHBondContact N-O 3.19Å; G384-Q386 PolarHBondContact O-N 2.82Å; Q386-Q406 WeakPolarHBondContact CA-O 3.1Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å |
| 387 | N | 85.2 | Confident | 74.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.5 | 170 | -55.3 | -50.1 | 0 | 0 | 0 | 110.3 | N366 V374 N376 N395 N397 Q406 N407 Q408 | N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.6Å; N366-N387 WeakPolarHBondContact O-CA 3.42Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.14Å; N376-N387 PolarHBondContact ND2-OD1 2.65Å; N387-N395 HydrophobicContact CB-CB 4.43Å; N387-N397 PolarHBondContact ND2-ND2 2.68Å; N387-N397 PolarHBondContact ND2-OD1 2.81Å; N387-Q406 PolarHBondContact N-O 3.28Å; N387-N407 PolarHBondContact ND2-OD1 3.34Å; N387-N407 CarbonylContact O-C 3.46Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N387-Q408 PolarHBondContact O-N 2.82Å |
| 388 | Q | 84.7 | Confident | 74.4 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147 | -178 | -58.4 | -171.6 | 9.7 | 0 | 0 | 112.7 | N366 Q367 A368 Q408 | N366-Q388 PolarHBondContact O-N 2.9Å; Q367-Q388 WeakPolarHBondContact CA-O 3.27Å; Q367-Q388 HydrophobicContact CG-CB 4.41Å; A368-Q388 PolarHBondContact N-O 3.48Å; Q388-Q408 CarbonylContact C-O 3.56Å; Q388-Q408 VanDerWaalsContact CA-O 3.26Å; Q388-Q408 WeakPolarHBondContact CA-O 3.27Å; Q388-Q408 HydrophobicContact CG-CB 4.5Å |
| 389 | G | 79.3 | Confident | 74.4 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | -171.7 | 177 | 0 | 0 | 0 | 0 | 0 | 118.3 | A368 Q408 T409 | A368-G389 WeakPolarHBondContact O-CA 3.46Å; G389-Q408 PolarHBondContact N-O 3.03Å; G389-T409 WeakPolarHBondContact O-CA 3.3Å |
| 390 | K | 79.6 | Confident | 74.3 | Confident | 116 Ų | 116 | 49.8 Ų | 49.8 | 50% | 0.504 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -59.4 | 166.5 | -57.1 | -174.1 | 178 | -174.8 | 0 | 111.3 | A368 K369 K410 K411 | A368-K390 PolarHBondContact O-N 2.95Å; K369-K390 WeakPolarHBondContact O-CA 3.37Å; K369-K390 VanDerWaalsContact O-CB 3.24Å; K369-K390 WeakPolarHBondContact O-CB 3.35Å; K369-K390 PolarHBondContact O-N 3.2Å; K390-K410 HydrophobicContact CG-CD 4.41Å; K390-K410 CarbonylContact O-C 3.56Å; K390-K410 WeakPolarHBondContact O-CA 3.39Å; K390-K410 WeakPolarHBondContact O-CB 3.05Å; K390-K410 PolarHBondContact O-N 2.97Å; K390-K411 PolarHBondContact O-N 3.4Å |
| 391 | K | 78 | Confident | 74.5 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | 164.3 | -163.4 | -166.7 | -175.8 | -156.8 | 0 | 108.9 | K369 K370 G371 E393 K411 E413 | K369-K391 PolarHBondContact O-N 2.9Å; K370-K391 WeakPolarHBondContact CA-O 3.36Å; K370-K391 HydrophobicContact CG-CB 4.35Å; G371-K391 PolarHBondContact N-O 2.92Å; K391-E393 HydrophobicContact CD-CG 4.41Å; K391-E393 VanDerWaalsContact CD-OE1 3.32Å; K391-E393 WeakPolarHBondContact CD-OE1 3.44Å; K391-E393 WeakPolarHBondContact CE-OE1 3.35Å; K391-E393 IonicContact NZ-OE1 2.83Å; K391-E393 PolarHBondContact NZ-OE1 2.86Å; K391-E393 IonicContact NZ-OE2 3.64Å; K391-E393 PolarHBondContact NZ-OE2 2.83Å; K391-K411 WeakPolarHBondContact CA-O 3.19Å; K391-K411 HydrophobicContact CG-CB 4.42Å; K391-E413 WeakPolarHBondContact CE-OE1 3.3Å; K391-E413 IonicContact NZ-OE1 3.93Å; K391-E413 PolarHBondContact NZ-OE1 2.92Å; K391-E413 IonicContact NZ-OE2 2.84Å; K391-E413 PolarHBondContact NZ-OE2 2.81Å; K391-E413 VanDerWaalsContact NZ-OE2 3.1Å |
| 392 | G | 67.5 | Low | 74.8 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | G371 K411 G412 E413 | G371-G392 WeakPolarHBondContact O-CA 3.34Å; G392-K411 PolarHBondContact N-O 3.34Å; G392-G412 WeakPolarHBondContact O-CA 3.47Å; G392-E413 PolarHBondContact O-N 2.95Å |
| 393 | E | 73.1 | Confident | 75.3 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.5 | -178.7 | -54.8 | 176.4 | -131.8 | 0 | 0 | 109.5 | K370 G371 E372 G373 K391 N395 E413 | K370-E393 WeakPolarHBondContact CE-OE1 3.36Å; K370-E393 IonicContact NZ-OE1 2.88Å; G371-E393 PolarHBondContact O-N 3.34Å; E372-E393 WeakPolarHBondContact CA-O 3.38Å; E372-E393 HydrophobicContact CG-CB 4.15Å; E372-E393 HydrophobicContact CG-CG 4.43Å; G373-E393 PolarHBondContact N-O 2.88Å; K391-E393 HydrophobicContact CD-CG 4.41Å; K391-E393 VanDerWaalsContact CD-OE1 3.32Å; K391-E393 WeakPolarHBondContact CD-OE1 3.44Å; K391-E393 WeakPolarHBondContact CE-OE1 3.35Å; K391-E393 IonicContact NZ-OE1 2.83Å; K391-E393 PolarHBondContact NZ-OE1 2.86Å; K391-E393 IonicContact NZ-OE2 3.64Å; K391-E393 PolarHBondContact NZ-OE2 2.83Å; E393-N395 VanDerWaalsContact C-N 3.33Å; E393-N395 PolarHBondContact O-N 2.82Å; E393-E413 WeakPolarHBondContact CA-O 3.44Å; E393-E413 HydrophobicContact CG-CB 4.35Å |
| 394 | A | 71.1 | Confident | 75.6 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 39% | 0.388 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 56.5 | 34.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q396 E413 | A394-Q396 WeakPolarHBondContact O-CG 3.36Å; A394-Q396 PolarHBondContact O-N 2.9Å; A394-E413 PolarHBondContact N-O 2.81Å |
| 395 | N | 81.5 | Confident | 76.1 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | trans | -62.4 | 124.5 | 171.8 | -70.4 | -2.1 | 0 | 0 | 0 | 110.9 | V374 N387 E393 P415 Q416 | V374-N395 CarbonylContact O-C 3.52Å; V374-N395 WeakPolarHBondContact O-CA 3.47Å; N387-N395 HydrophobicContact CB-CB 4.43Å; E393-N395 VanDerWaalsContact C-N 3.33Å; E393-N395 PolarHBondContact O-N 2.82Å; N395-P415 HydrophobicContact CB-CB 4.48Å; N395-P415 CarbonylContact O-C 3.58Å; N395-P415 WeakPolarHBondContact O-CA 3.31Å; N395-Q416 PolarHBondContact O-N 2.88Å | ||
| 396 | Q | 85.9 | Confident | 76.3 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.3 | -179.6 | -53.9 | -167.4 | 16.7 | 0 | 0 | 113.5 | V374 Q375 N376 A394 Q416 | V374-Q396 PolarHBondContact O-N 2.93Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.3Å; Q375-Q396 WeakPolarHBondContact CA-O 3.34Å; Q375-Q396 HydrophobicContact CG-CB 4.29Å; N376-Q396 PolarHBondContact N-O 3.28Å; A394-Q396 WeakPolarHBondContact O-CG 3.36Å; A394-Q396 PolarHBondContact O-N 2.9Å; Q396-Q416 CarbonylContact C-O 3.59Å; Q396-Q416 WeakPolarHBondContact CA-O 3.34Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å |
| 397 | N | 85.3 | Confident | 76.3 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.2 | 164.1 | -57.9 | -54.6 | 0 | 0 | 0 | 110.2 | N376 N387 G405 N407 Q416 N417 Q418 | N376-N397 WeakPolarHBondContact CB-OD1 3.3Å; N376-N397 PolarHBondContact ND2-OD1 3.49Å; N376-N397 CarbonylContact O-C 3.53Å; N376-N397 WeakPolarHBondContact O-CA 3Å; N387-N397 PolarHBondContact ND2-ND2 2.68Å; N387-N397 PolarHBondContact ND2-OD1 2.81Å; N397-G405 WeakPolarHBondContact ND2-CA 3.33Å; N397-N407 PolarHBondContact ND2-ND2 2.94Å; N397-N407 PolarHBondContact ND2-OD1 3.21Å; N397-Q416 PolarHBondContact N-O 3.11Å; N397-N417 WeakPolarHBondContact CB-OD1 3.45Å; N397-N417 PolarHBondContact ND2-OD1 2.91Å; N397-N417 CarbonylContact O-C 3.49Å; N397-N417 WeakPolarHBondContact O-CA 3.31Å; N397-Q418 PolarHBondContact O-N 3.31Å |
| 398 | Q | 80.8 | Confident | 76.3 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.5 | -179.2 | -56.7 | -168.2 | 18.9 | 0 | 0 | 112.2 | N376 Q377 A378 Q418 | N376-Q398 PolarHBondContact O-N 2.88Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.46Å; Q377-Q398 HydrophobicContact CG-CB 4.42Å; A378-Q398 PolarHBondContact N-O 2.9Å; Q398-Q418 CarbonylContact C-O 3.52Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.4Å |
| 399 | A | 75.5 | Confident | 76.1 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 120.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A378 Q418 G419 K420 | A378-A399 WeakPolarHBondContact O-CA 3.38Å; A399-Q418 PolarHBondContact N-O 3.14Å; A399-G419 WeakPolarHBondContact O-CA 3.38Å; A399-K420 PolarHBondContact O-N 3.46Å |
| 400 | K | 71.3 | Confident | 76.1 | Confident | 107 Ų | 107 | 50 Ų | 50 | 47% | 0.465 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -32 | 179.1 | -65.3 | -175.7 | -177.4 | -176.3 | 0 | 113.3 | A378 K379 K420 | A378-K400 PolarHBondContact O-N 3.02Å; K379-K400 HydrophobicContact CB-CD 4.49Å; K379-K400 WeakPolarHBondContact O-CB 3.31Å; K400-K420 WeakPolarHBondContact O-CB 3.37Å |
| 401 | K | 70.1 | Confident | 76.2 | Confident | 142 Ų | 142 | 47.5 Ų | 47.5 | 62% | 0.617 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 142.5 | 167.8 | -169.8 | -164.7 | 176.6 | -164 | 0 | 106.1 | G381 K421 | G381-K401 WeakPolarHBondContact CA-O 3.48Å; G381-K401 PolarHBondContact N-O 3.15Å; K401-K421 WeakPolarHBondContact CA-O 3.48Å |
| 402 | G | 63.6 | Low | 76.1 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 138.6 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | G381 K421 G422 | G381-G402 WeakPolarHBondContact O-CA 3.25Å; G402-K421 PolarHBondContact N-O 2.9Å; G402-G422 WeakPolarHBondContact O-CA 3.38Å |
| 403 | E | 61.7 | Low | 76.6 | Confident | 92 Ų | 92 | 46.8 Ų | 46.8 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -68.3 | 159 | 170.9 | -68.8 | -173.1 | -154.8 | 0 | 0 | 112.3 | E383 | E383-E403 HydrophobicContact CG-CB 4.32Å; E383-E403 HydrophobicContact CG-CG 4.34Å |
| 404 | G | 65.8 | Low | 76.7 | Confident | 15 Ų | 15 | 46 Ų | 46 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 147.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E423 | G404-E423 WeakPolarHBondContact CA-O 3.46Å; G404-E423 PolarHBondContact N-O 3.43Å |
| 405 | G | 75.2 | Confident | 77.2 | Confident | 7 Ų | 7 | 44 Ų | 44 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 136.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A385 N397 N417 Q426 | A385-G405 CarbonylContact O-C 3.52Å; A385-G405 WeakPolarHBondContact O-CA 3.39Å; N397-G405 WeakPolarHBondContact ND2-CA 3.33Å; G405-N417 VanDerWaalsContact O-CG 3.27Å; G405-N417 PolarHBondContact O-ND2 2.8Å; G405-N417 PolarHBondContact O-OD1 2.73Å; G405-Q426 PolarHBondContact O-N 3.44Å |
| 406 | Q | 83.4 | Confident | 77.4 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 141.5 | 175.8 | -57.3 | 178.6 | -6.3 | 0 | 0 | 110.2 | A385 Q386 N387 Q426 | A385-Q406 PolarHBondContact O-N 2.97Å; Q386-Q406 WeakPolarHBondContact CA-O 3.1Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å; N387-Q406 PolarHBondContact N-O 3.28Å; Q406-Q426 WeakPolarHBondContact CA-O 3.21Å; Q406-Q426 HydrophobicContact CG-CB 4.45Å |
| 407 | N | 84.6 | Confident | 77.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.2 | 169.2 | -55.9 | -85.9 | 0 | 0 | 0 | 109.3 | N387 N397 N417 Q426 K427 Q428 | N387-N407 PolarHBondContact ND2-OD1 3.34Å; N387-N407 CarbonylContact O-C 3.46Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N397-N407 PolarHBondContact ND2-ND2 2.94Å; N397-N407 PolarHBondContact ND2-OD1 3.21Å; N407-N417 PolarHBondContact ND2-ND2 3.11Å; N407-N417 PolarHBondContact ND2-OD1 2.84Å; N407-Q426 PolarHBondContact N-O 2.98Å; N407-Q426 VanDerWaalsContact N-O 3.16Å; N407-K427 HydrophobicContact CB-CG 4.46Å; N407-K427 WeakPolarHBondContact O-CA 3.4Å; N407-Q428 PolarHBondContact O-N 3.34Å |
| 408 | Q | 83.8 | Confident | 77.2 | Confident | 70 Ų | 70 | 47 Ų | 47 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 112.2 | -179.2 | -57.4 | -173.2 | 8 | 0 | 0 | 112.2 | N387 Q388 G389 Q428 | N387-Q408 PolarHBondContact O-N 2.82Å; Q388-Q408 CarbonylContact C-O 3.56Å; Q388-Q408 VanDerWaalsContact CA-O 3.26Å; Q388-Q408 WeakPolarHBondContact CA-O 3.27Å; Q388-Q408 HydrophobicContact CG-CB 4.5Å; G389-Q408 PolarHBondContact N-O 3.03Å; Q408-Q428 WeakPolarHBondContact CA-O 3.27Å; Q408-Q428 HydrophobicContact CG-CB 4.38Å |
| 409 | T | 80.9 | Confident | 76.9 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 177.8 | -177.9 | 75.1 | 0 | 0 | 0 | 0 | 112.8 | G389 K411 G412 D429 K430 | G389-T409 WeakPolarHBondContact O-CA 3.3Å; T409-K411 PolarHBondContact OG1-O 2.84Å; T409-G412 WeakPolarHBondContact OG1-CA 3.32Å; T409-G412 PolarHBondContact OG1-N 2.93Å; T409-D429 WeakPolarHBondContact CA-OD1 3.44Å; T409-D429 VanDerWaalsContact CB-OD1 3.29Å; T409-D429 WeakPolarHBondContact CB-OD1 3.42Å; T409-D429 PolarHBondContact N-OD1 3.08Å; T409-D429 WeakPolarHBondContact O-CA 3.28Å; T409-D429 VanDerWaalsContact OG1-CG 3.27Å; T409-D429 PolarHBondContact OG1-OD1 3.12Å; T409-K430 PolarHBondContact O-N 3.05Å |
| 410 | K | 80 | Confident | 76.7 | Confident | 114 Ų | 114 | 49.2 Ų | 49.2 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -37.6 | 169.1 | -57.5 | -171.8 | -178.2 | -172 | 0 | 111.4 | K390 K430 K431 | K390-K410 HydrophobicContact CG-CD 4.41Å; K390-K410 CarbonylContact O-C 3.56Å; K390-K410 WeakPolarHBondContact O-CA 3.39Å; K390-K410 WeakPolarHBondContact O-CB 3.05Å; K390-K410 PolarHBondContact O-N 2.97Å; K410-K430 WeakPolarHBondContact O-CB 3.37Å; K410-K430 PolarHBondContact O-N 3.12Å; K410-K431 PolarHBondContact O-N 2.93Å; K410-K431 VanDerWaalsContact O-N 3.09Å |
| 411 | K | 81.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 47.7 Ų | 47.7 | 27% | 0.274 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.2 | 163.1 | -171.6 | -178.5 | -161.6 | -106.9 | 0 | 108.8 | K390 K391 G392 T409 E413 K431 E433 | K390-K411 PolarHBondContact O-N 3.4Å; K391-K411 WeakPolarHBondContact CA-O 3.19Å; K391-K411 HydrophobicContact CG-CB 4.42Å; G392-K411 PolarHBondContact N-O 3.34Å; T409-K411 PolarHBondContact OG1-O 2.84Å; K411-E413 VanDerWaalsContact CD-OE1 3.24Å; K411-E413 WeakPolarHBondContact CD-OE1 3.4Å; K411-E413 WeakPolarHBondContact CE-OE1 3.2Å; K411-E413 IonicContact NZ-OE1 2.83Å; K411-E413 PolarHBondContact NZ-OE1 3.31Å; K411-E413 IonicContact NZ-OE2 2.62Å; K411-E413 PolarHBondContact NZ-OE2 3.17Å; K411-K431 WeakPolarHBondContact CA-O 3.48Å; K411-K431 HydrophobicContact CG-CB 4.37Å; K411-E433 WeakPolarHBondContact CE-OE1 3.41Å; K411-E433 WeakPolarHBondContact CE-OE2 3.44Å; K411-E433 IonicContact NZ-OE1 2.91Å; K411-E433 PolarHBondContact NZ-OE1 2.88Å; K411-E433 IonicContact NZ-OE2 2.6Å; K411-E433 PolarHBondContact NZ-OE2 3.23Å |
| 412 | G | 75.7 | Confident | 76.2 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G392 T409 K431 E433 | G392-G412 WeakPolarHBondContact O-CA 3.47Å; T409-G412 WeakPolarHBondContact OG1-CA 3.32Å; T409-G412 PolarHBondContact OG1-N 2.93Å; G412-K431 PolarHBondContact N-O 2.81Å; G412-E433 PolarHBondContact O-N 2.83Å |
| 413 | E | 78.7 | Confident | 76.1 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.1 | 177.7 | -77.6 | 142.3 | -106.5 | 0 | 0 | 110.4 | K391 G392 E393 A394 K411 E433 | K391-E413 WeakPolarHBondContact CE-OE1 3.3Å; K391-E413 IonicContact NZ-OE1 3.93Å; K391-E413 PolarHBondContact NZ-OE1 2.92Å; K391-E413 IonicContact NZ-OE2 2.84Å; K391-E413 PolarHBondContact NZ-OE2 2.81Å; K391-E413 VanDerWaalsContact NZ-OE2 3.1Å; G392-E413 PolarHBondContact O-N 2.95Å; E393-E413 WeakPolarHBondContact CA-O 3.44Å; E393-E413 HydrophobicContact CG-CB 4.35Å; A394-E413 PolarHBondContact N-O 2.81Å; K411-E413 VanDerWaalsContact CD-OE1 3.24Å; K411-E413 WeakPolarHBondContact CD-OE1 3.4Å; K411-E413 WeakPolarHBondContact CE-OE1 3.2Å; K411-E413 IonicContact NZ-OE1 2.83Å; K411-E413 PolarHBondContact NZ-OE1 3.31Å; K411-E413 IonicContact NZ-OE2 2.62Å; K411-E413 PolarHBondContact NZ-OE2 3.17Å; E413-E433 WeakPolarHBondContact CA-O 3.38Å; E413-E433 HydrophobicContact CG-CB 3.99Å |
| 414 | G | 75.7 | Confident | 76.3 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 60.9 | 30.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q416 E433 | G414-Q416 PolarHBondContact O-N 3.14Å; G414-E433 PolarHBondContact N-O 3.11Å |
| 415 | P | 80.8 | Confident | 76.8 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | trans | -69.8 | 121.2 | -179.3 | 29.4 | -34.8 | 0 | 0 | 0 | 111.8 | N395 K427 A435 Q436 | N395-P415 HydrophobicContact CB-CB 4.48Å; N395-P415 CarbonylContact O-C 3.58Å; N395-P415 WeakPolarHBondContact O-CA 3.31Å; P415-K427 HydrophobicContact CB-CD 4.12Å; P415-K427 HydrophobicContact CG-CD 3.86Å; P415-K427 WeakPolarHBondContact O-CE 3.5Å; P415-K427 PolarHBondContact O-NZ 2.9Å; P415-A435 HydrophobicContact CG-CB 4.13Å; P415-Q436 PolarHBondContact O-N 2.62Å | ||
| 416 | Q | 85.8 | Confident | 77.2 | Confident | 48 Ų | 48 | 44.6 Ų | 44.6 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.8 | -176.8 | -59.1 | -165 | -4.9 | 0 | 0 | 113.2 | N395 Q396 N397 G414 Q436 | N395-Q416 PolarHBondContact O-N 2.88Å; Q396-Q416 CarbonylContact C-O 3.59Å; Q396-Q416 WeakPolarHBondContact CA-O 3.34Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å; N397-Q416 PolarHBondContact N-O 3.11Å; G414-Q416 PolarHBondContact O-N 3.14Å; Q416-Q436 CarbonylContact C-O 3.52Å; Q416-Q436 WeakPolarHBondContact CA-O 3.32Å; Q416-Q436 HydrophobicContact CG-CB 4.36Å |
| 417 | N | 84.9 | Confident | 77.3 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.9 | 164.3 | -64 | -39.7 | 0 | 0 | 0 | 108.2 | N397 G405 N407 A425 Q426 K427 Q436 N437 Q438 | N397-N417 WeakPolarHBondContact CB-OD1 3.45Å; N397-N417 PolarHBondContact ND2-OD1 2.91Å; N397-N417 CarbonylContact O-C 3.49Å; N397-N417 WeakPolarHBondContact O-CA 3.31Å; G405-N417 VanDerWaalsContact O-CG 3.27Å; G405-N417 PolarHBondContact O-ND2 2.8Å; G405-N417 PolarHBondContact O-OD1 2.73Å; N407-N417 PolarHBondContact ND2-ND2 3.11Å; N407-N417 PolarHBondContact ND2-OD1 2.84Å; N417-A425 HydrophobicContact CB-CB 4.04Å; N417-Q426 PolarHBondContact ND2-O 3.24Å; N417-K427 PolarHBondContact ND2-NZ 2.85Å; N417-Q436 PolarHBondContact N-O 2.85Å; N417-N437 WeakPolarHBondContact CB-OD1 3.4Å; N417-N437 PolarHBondContact ND2-OD1 2.87Å; N417-N437 CarbonylContact O-C 3.54Å; N417-N437 WeakPolarHBondContact O-CA 2.91Å; N417-Q438 PolarHBondContact O-N 3.06Å |
| 418 | Q | 82 | Confident | 77.3 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.8 | -179.6 | -56 | -169.6 | 19.6 | 0 | 0 | 111.8 | N397 Q398 A399 Q438 | N397-Q418 PolarHBondContact O-N 3.31Å; Q398-Q418 CarbonylContact C-O 3.52Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.4Å; A399-Q418 PolarHBondContact N-O 3.14Å; Q418-Q438 CarbonylContact C-O 3.59Å; Q418-Q438 WeakPolarHBondContact CA-O 3.34Å |
| 419 | G | 73.6 | Confident | 77.2 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 156.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | A399 Q438 G439 K440 | A399-G419 WeakPolarHBondContact O-CA 3.38Å; G419-Q438 PolarHBondContact N-O 3.44Å; G419-G439 CarbonylContact O-C 3.53Å; G419-G439 WeakPolarHBondContact O-CA 3.48Å; G419-K440 PolarHBondContact O-N 2.82Å |
| 420 | K | 72.2 | Confident | 77.4 | Confident | 110 Ų | 110 | 47.6 Ų | 47.6 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -44.6 | -176.6 | -54 | -175.3 | 179.5 | -175 | 0 | 113.1 | A399 K400 K440 K441 | A399-K420 PolarHBondContact O-N 3.46Å; K400-K420 WeakPolarHBondContact O-CB 3.37Å; K420-K440 HydrophobicContact CB-CD 4.42Å; K420-K440 WeakPolarHBondContact O-CB 3.32Å; K420-K441 PolarHBondContact O-N 2.84Å |
| 421 | K | 68.8 | Low | 77.7 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 129.5 | 158.7 | -163.7 | -139.1 | 179.1 | -124.3 | 0 | 108.1 | K401 G402 E423 K441 E443 | K401-K421 WeakPolarHBondContact CA-O 3.48Å; G402-K421 PolarHBondContact N-O 2.9Å; K421-E423 IonicContact NZ-OE1 2.64Å; K421-E423 PolarHBondContact NZ-OE1 2.94Å; K421-K441 WeakPolarHBondContact CA-O 3.37Å; K421-K441 HydrophobicContact CB-CB 4.27Å; K421-K441 HydrophobicContact CG-CB 3.77Å; K421-K441 HydrophobicContact CG-CD 4.08Å; K421-E443 VanDerWaalsContact CE-OE2 3.26Å; K421-E443 WeakPolarHBondContact CE-OE2 3.35Å; K421-E443 IonicContact NZ-OE1 2.84Å; K421-E443 IonicContact NZ-OE2 2.92Å; K421-E443 PolarHBondContact NZ-OE2 2.88Å |
| 422 | G | 62.2 | Low | 77.7 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 146.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G402 K441 E443 | G402-G422 WeakPolarHBondContact O-CA 3.38Å; G422-K441 PolarHBondContact N-O 2.97Å; G422-K441 VanDerWaalsContact N-O 3.11Å; G422-E443 PolarHBondContact O-N 3.25Å; G422-E443 VanDerWaalsContact O-N 3.17Å |
| 423 | E | 62 | Low | 78.1 | Confident | 88 Ų | 88 | 44 Ų | 44 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 159.2 | 175.7 | -70.1 | 136.9 | -115.7 | 0 | 0 | 110.3 | G404 K421 A425 E443 | G404-E423 WeakPolarHBondContact CA-O 3.46Å; G404-E423 PolarHBondContact N-O 3.43Å; K421-E423 IonicContact NZ-OE1 2.64Å; K421-E423 PolarHBondContact NZ-OE1 2.94Å; E423-A425 PolarHBondContact O-N 2.87Å; E423-E443 CarbonylContact C-O 3.53Å; E423-E443 VanDerWaalsContact CA-O 3.23Å; E423-E443 WeakPolarHBondContact CA-O 3.01Å; E423-E443 HydrophobicContact CG-CB 3.76Å |
| 424 | A | 64.7 | Low | 78.3 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | trans | 55.7 | 45.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | Q426 E443 | A424-Q426 PolarHBondContact O-N 2.83Å; A424-E443 PolarHBondContact N-O 2.95Å | ||
| 425 | A | 76.6 | Confident | 78.8 | Confident | 14 Ų | 14 | 42 Ų | 42 | 12% | 0.116 | 22% | 0.22 | C | C | . | . | trans | -73.2 | 109.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N417 E423 T445 S446 | N417-A425 HydrophobicContact CB-CB 4.04Å; E423-A425 PolarHBondContact O-N 2.87Å; A425-T445 HydrophobicContact CB-CG2 3.94Å; A425-T445 CarbonylContact O-C 3.52Å; A425-T445 WeakPolarHBondContact O-CA 3.35Å; A425-S446 PolarHBondContact O-N 3.36Å | ||
| 426 | Q | 84.1 | Confident | 79.2 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151 | -173.8 | -60.6 | -169.7 | 25.3 | 0 | 0 | 113.7 | G405 Q406 N407 N417 A424 Q428 S446 | G405-Q426 PolarHBondContact O-N 3.44Å; Q406-Q426 WeakPolarHBondContact CA-O 3.21Å; Q406-Q426 HydrophobicContact CG-CB 4.45Å; N407-Q426 PolarHBondContact N-O 2.98Å; N407-Q426 VanDerWaalsContact N-O 3.16Å; N417-Q426 PolarHBondContact ND2-O 3.24Å; A424-Q426 PolarHBondContact O-N 2.83Å; Q426-Q428 VanDerWaalsContact OE1-NE2 3.09Å; Q426-S446 CarbonylContact C-O 3.5Å; Q426-S446 WeakPolarHBondContact CA-O 3.33Å |
| 427 | K | 85.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 131.3 | 166.4 | -49.9 | -175 | -150.9 | -71.2 | 0 | 110.2 | N407 P415 N417 A435 Q436 N437 S446 N447 Q448 | N407-K427 HydrophobicContact CB-CG 4.46Å; N407-K427 WeakPolarHBondContact O-CA 3.4Å; P415-K427 HydrophobicContact CB-CD 4.12Å; P415-K427 HydrophobicContact CG-CD 3.86Å; P415-K427 WeakPolarHBondContact O-CE 3.5Å; P415-K427 PolarHBondContact O-NZ 2.9Å; N417-K427 PolarHBondContact ND2-NZ 2.85Å; K427-A435 HydrophobicContact CD-CB 3.64Å; K427-Q436 VanDerWaalsContact CE-O 3.27Å; K427-Q436 WeakPolarHBondContact CE-O 3.41Å; K427-Q436 PolarHBondContact NZ-O 3.39Å; K427-N437 WeakPolarHBondContact CE-OD1 3.44Å; K427-N437 PolarHBondContact NZ-OD1 2.88Å; K427-S446 PolarHBondContact N-O 3.42Å; K427-N447 VanDerWaalsContact CD-OD1 3.3Å; K427-N447 WeakPolarHBondContact CD-OD1 3.45Å; K427-N447 VanDerWaalsContact CE-OD1 3.27Å; K427-N447 WeakPolarHBondContact CE-OD1 3.44Å; K427-N447 WeakPolarHBondContact CG-OD1 3.35Å; K427-Q448 PolarHBondContact O-N 2.91Å |
| 428 | Q | 84.2 | Confident | 79.3 | Confident | 80 Ų | 80 | 44.5 Ų | 44.5 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 94 | -178.2 | -57.1 | -173.1 | 17.5 | 0 | 0 | 110.4 | N407 Q408 Q426 Q448 | N407-Q428 PolarHBondContact O-N 3.34Å; Q408-Q428 WeakPolarHBondContact CA-O 3.27Å; Q408-Q428 HydrophobicContact CG-CB 4.38Å; Q426-Q428 VanDerWaalsContact OE1-NE2 3.09Å; Q428-Q448 WeakPolarHBondContact CA-O 3.23Å |
| 429 | D | 82.6 | Confident | 79.1 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.9 | -177.1 | -45.3 | -70.7 | 0 | 0 | 0 | 112.3 | T409 I432 Q448 G449 | T409-D429 WeakPolarHBondContact CA-OD1 3.44Å; T409-D429 VanDerWaalsContact CB-OD1 3.29Å; T409-D429 WeakPolarHBondContact CB-OD1 3.42Å; T409-D429 PolarHBondContact N-OD1 3.08Å; T409-D429 WeakPolarHBondContact O-CA 3.28Å; T409-D429 VanDerWaalsContact OG1-CG 3.27Å; T409-D429 PolarHBondContact OG1-OD1 3.12Å; D429-I432 HydrophobicContact CB-CG1 3.66Å; D429-Q448 PolarHBondContact N-O 2.89Å; D429-Q448 VanDerWaalsContact N-O 3.13Å; D429-G449 WeakPolarHBondContact O-CA 3.35Å |
| 430 | K | 84.4 | Confident | 79.4 | Confident | 115 Ų | 115 | 46 Ų | 46 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -38.5 | 178.4 | -58.8 | -172.6 | -179.6 | -172.3 | 0 | 112.1 | T409 K410 K450 K451 | T409-K430 PolarHBondContact O-N 3.05Å; K410-K430 WeakPolarHBondContact O-CB 3.37Å; K410-K430 PolarHBondContact O-N 3.12Å; K430-K450 WeakPolarHBondContact O-CB 3.24Å; K430-K450 PolarHBondContact O-N 2.89Å; K430-K450 VanDerWaalsContact O-N 3.16Å; K430-K451 PolarHBondContact O-N 2.84Å |
| 431 | K | 85.8 | Confident | 79.6 | Confident | 62 Ų | 62 | 45.1 Ų | 45.1 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.5 | 161.2 | -171.6 | -179.4 | -177.8 | -141.3 | 0 | 109.3 | K410 K411 G412 E433 K451 | K410-K431 PolarHBondContact O-N 2.93Å; K410-K431 VanDerWaalsContact O-N 3.09Å; K411-K431 WeakPolarHBondContact CA-O 3.48Å; K411-K431 HydrophobicContact CG-CB 4.37Å; G412-K431 PolarHBondContact N-O 2.81Å; K431-E433 WeakPolarHBondContact CD-OE1 3.49Å; K431-E433 VanDerWaalsContact CE-CD 3.47Å; K431-E433 WeakPolarHBondContact CE-OE1 3.12Å; K431-E433 VanDerWaalsContact CG-OE1 3.25Å; K431-E433 WeakPolarHBondContact CG-OE1 3.34Å; K431-E433 IonicContact NZ-OE1 2.81Å; K431-E433 PolarHBondContact NZ-OE1 3.29Å; K431-E433 IonicContact NZ-OE2 2.65Å; K431-E433 PolarHBondContact NZ-OE2 3.11Å; K431-K451 WeakPolarHBondContact CA-O 3.39Å; K431-K451 HydrophobicContact CB-CB 4.37Å; K431-K451 HydrophobicContact CG-CB 3.95Å |
| 432 | I | 81.2 | Confident | 79.8 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.2 | 174.1 | -61.9 | 173.2 | 0 | 0 | 0 | 109.1 | D429 A435 N447 Q448 K451 G452 E453 | D429-I432 HydrophobicContact CB-CG1 3.66Å; I432-A435 HydrophobicContact CG2-CB 3.35Å; I432-N447 HydrophobicContact CD1-CB 4.47Å; I432-Q448 WeakPolarHBondContact CD1-O 3.35Å; I432-K451 PolarHBondContact N-O 2.9Å; I432-G452 CarbonylContact O-C 3.57Å; I432-G452 WeakPolarHBondContact O-CA 3.45Å; I432-E453 PolarHBondContact O-N 3.29Å |
| 433 | E | 83.6 | Confident | 80.3 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.8 | 166.2 | -81.2 | 130.5 | -89.4 | 0 | 0 | 109.8 | K411 G412 E413 G414 K431 A435 E453 | K411-E433 WeakPolarHBondContact CE-OE1 3.41Å; K411-E433 WeakPolarHBondContact CE-OE2 3.44Å; K411-E433 IonicContact NZ-OE1 2.91Å; K411-E433 PolarHBondContact NZ-OE1 2.88Å; K411-E433 IonicContact NZ-OE2 2.6Å; K411-E433 PolarHBondContact NZ-OE2 3.23Å; G412-E433 PolarHBondContact O-N 2.83Å; E413-E433 WeakPolarHBondContact CA-O 3.38Å; E413-E433 HydrophobicContact CG-CB 3.99Å; G414-E433 PolarHBondContact N-O 3.11Å; K431-E433 WeakPolarHBondContact CD-OE1 3.49Å; K431-E433 VanDerWaalsContact CE-CD 3.47Å; K431-E433 WeakPolarHBondContact CE-OE1 3.12Å; K431-E433 VanDerWaalsContact CG-OE1 3.25Å; K431-E433 WeakPolarHBondContact CG-OE1 3.34Å; K431-E433 IonicContact NZ-OE1 2.81Å; K431-E433 PolarHBondContact NZ-OE1 3.29Å; K431-E433 IonicContact NZ-OE2 2.65Å; K431-E433 PolarHBondContact NZ-OE2 3.11Å; E433-A435 PolarHBondContact O-N 2.63Å; E433-E453 HydrophobicContact CG-CB 4.46Å |
| 434 | G | 83 | Confident | 80.9 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 65.6 | 28.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q436 E453 | G434-Q436 PolarHBondContact O-N 2.83Å; G434-E453 PolarHBondContact N-O 3.5Å |
| 435 | A | 87.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -62.5 | 131 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P415 K427 I432 E433 A455 Q456 | P415-A435 HydrophobicContact CG-CB 4.13Å; K427-A435 HydrophobicContact CD-CB 3.64Å; I432-A435 HydrophobicContact CG2-CB 3.35Å; E433-A435 PolarHBondContact O-N 2.63Å; A435-A455 HydrophobicContact CB-CB 4.41Å; A435-A455 CarbonylContact O-C 3.56Å; A435-A455 WeakPolarHBondContact O-CA 3.32Å; A435-Q456 PolarHBondContact O-N 2.81Å | ||
| 436 | Q | 88.3 | Confident | 82.4 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.9 | 176.6 | -63.1 | -173.4 | -24.7 | 0 | 0 | 113 | P415 Q416 N417 K427 G434 Q456 | P415-Q436 PolarHBondContact O-N 2.62Å; Q416-Q436 CarbonylContact C-O 3.52Å; Q416-Q436 WeakPolarHBondContact CA-O 3.32Å; Q416-Q436 HydrophobicContact CG-CB 4.36Å; N417-Q436 PolarHBondContact N-O 2.85Å; K427-Q436 VanDerWaalsContact CE-O 3.27Å; K427-Q436 WeakPolarHBondContact CE-O 3.41Å; K427-Q436 PolarHBondContact NZ-O 3.39Å; G434-Q436 PolarHBondContact O-N 2.83Å; Q436-Q456 CarbonylContact C-O 3.59Å; Q436-Q456 WeakPolarHBondContact CA-O 2.99Å; Q436-Q456 HydrophobicContact CG-CB 4.37Å |
| 437 | N | 87.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125 | 163.1 | -57.5 | -53.9 | 0 | 0 | 0 | 108.5 | N417 K427 T445 N447 Q456 N457 Q458 | N417-N437 WeakPolarHBondContact CB-OD1 3.4Å; N417-N437 PolarHBondContact ND2-OD1 2.87Å; N417-N437 CarbonylContact O-C 3.54Å; N417-N437 WeakPolarHBondContact O-CA 2.91Å; K427-N437 WeakPolarHBondContact CE-OD1 3.44Å; K427-N437 PolarHBondContact NZ-OD1 2.88Å; N437-T445 HydrophobicContact CB-CG2 4.27Å; N437-N447 PolarHBondContact ND2-ND2 3.38Å; N437-N447 PolarHBondContact ND2-OD1 2.86Å; N437-Q456 PolarHBondContact N-O 2.91Å; N437-N457 WeakPolarHBondContact CB-OD1 3.39Å; N437-N457 PolarHBondContact ND2-OD1 2.84Å; N437-N457 CarbonylContact O-C 3.54Å; N437-N457 WeakPolarHBondContact O-CA 3.36Å; N437-Q458 PolarHBondContact O-N 3.43Å |
| 438 | Q | 85.1 | Confident | 82.7 | Confident | 65 Ų | 65 | 39.7 Ų | 39.7 | 30% | 0.304 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.9 | -177.9 | -56.8 | -169.4 | 21.4 | 0 | 0 | 112.2 | N417 Q418 G419 Q458 | N417-Q438 PolarHBondContact O-N 3.06Å; Q418-Q438 CarbonylContact C-O 3.59Å; Q418-Q438 WeakPolarHBondContact CA-O 3.34Å; G419-Q438 PolarHBondContact N-O 3.44Å; Q438-Q458 CarbonylContact C-O 3.54Å; Q438-Q458 WeakPolarHBondContact CA-O 3.27Å; Q438-Q458 HydrophobicContact CG-CB 4.35Å |
| 439 | G | 79 | Confident | 82.8 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 19% | 0.186 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 172.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118 | G419 Q458 G459 K460 | G419-G439 CarbonylContact O-C 3.53Å; G419-G439 WeakPolarHBondContact O-CA 3.48Å; G439-Q458 PolarHBondContact N-O 2.97Å; G439-G459 WeakPolarHBondContact O-CA 3.45Å; G439-K460 PolarHBondContact O-N 2.91Å |
| 440 | K | 79.6 | Confident | 82.9 | Confident | 111 Ų | 111 | 42.2 Ų | 42.2 | 48% | 0.483 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -47.8 | 168.6 | -55 | -174.1 | 177.9 | -171.3 | 0 | 110.3 | G419 K420 K460 K461 | G419-K440 PolarHBondContact O-N 2.82Å; K420-K440 HydrophobicContact CB-CD 4.42Å; K420-K440 WeakPolarHBondContact O-CB 3.32Å; K440-K460 HydrophobicContact CG-CD 4.45Å; K440-K460 WeakPolarHBondContact O-CB 3.34Å; K440-K460 PolarHBondContact O-N 3.06Å; K440-K461 PolarHBondContact O-N 3.48Å |
| 441 | K | 77.2 | Confident | 83 | Confident | 91 Ų | 91 | 42.7 Ų | 42.7 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 86.9 | 168.3 | -79.3 | -165 | 165.4 | -145.3 | 0 | 111 | K420 K421 G422 K461 | K420-K441 PolarHBondContact O-N 2.84Å; K421-K441 WeakPolarHBondContact CA-O 3.37Å; K421-K441 HydrophobicContact CB-CB 4.27Å; K421-K441 HydrophobicContact CG-CB 3.77Å; K421-K441 HydrophobicContact CG-CD 4.08Å; G422-K441 PolarHBondContact N-O 2.97Å; G422-K441 VanDerWaalsContact N-O 3.11Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.4Å; K441-K461 HydrophobicContact CG-CB 4.39Å |
| 442 | P | 73.1 | Confident | 82.8 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.3 | 165.5 | 32.6 | -25.5 | 0 | 0 | 0 | 110.1 | T445 K461 G462 E463 | P442-T445 HydrophobicContact CB-CG2 3.67Å; P442-K461 WeakPolarHBondContact CD-O 3.36Å; P442-G462 WeakPolarHBondContact O-CA 3.42Å; P442-E463 PolarHBondContact O-N 2.77Å |
| 443 | E | 72.6 | Confident | 83 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.159 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.5 | 177 | -73.8 | 140.5 | -137.8 | 0 | 0 | 106.8 | K421 G422 E423 A424 | K421-E443 VanDerWaalsContact CE-OE2 3.26Å; K421-E443 WeakPolarHBondContact CE-OE2 3.35Å; K421-E443 IonicContact NZ-OE1 2.84Å; K421-E443 IonicContact NZ-OE2 2.92Å; K421-E443 PolarHBondContact NZ-OE2 2.88Å; G422-E443 PolarHBondContact O-N 3.25Å; G422-E443 VanDerWaalsContact O-N 3.17Å; E423-E443 CarbonylContact C-O 3.53Å; E423-E443 VanDerWaalsContact CA-O 3.23Å; E423-E443 WeakPolarHBondContact CA-O 3.01Å; E423-E443 HydrophobicContact CG-CB 3.76Å; A424-E443 PolarHBondContact N-O 2.95Å |
| 444 | G | 73.6 | Confident | 83 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 40% | 0.402 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 68.6 | 36.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | E463 G464 | G444-E463 PolarHBondContact N-O 2.92Å; G444-G464 WeakPolarHBondContact CA-O 2.9Å |
| 445 | T | 85.1 | Confident | 83.2 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | trans | -80.5 | 126.6 | -178.9 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | A425 N437 P442 A465 Q466 | A425-T445 HydrophobicContact CB-CG2 3.94Å; A425-T445 CarbonylContact O-C 3.52Å; A425-T445 WeakPolarHBondContact O-CA 3.35Å; N437-T445 HydrophobicContact CB-CG2 4.27Å; P442-T445 HydrophobicContact CB-CG2 3.67Å; T445-A465 CarbonylContact O-C 3.55Å; T445-A465 WeakPolarHBondContact O-CA 3.35Å; T445-Q466 PolarHBondContact O-N 2.91Å | ||
| 446 | S | 87.8 | Confident | 83.4 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.7 | -172.7 | -158.9 | 0 | 0 | 0 | 0 | 112.9 | A425 Q426 K427 Q448 Q466 | A425-S446 PolarHBondContact O-N 3.36Å; Q426-S446 CarbonylContact C-O 3.5Å; Q426-S446 WeakPolarHBondContact CA-O 3.33Å; K427-S446 PolarHBondContact N-O 3.42Å; S446-Q448 PolarHBondContact OG-NE2 2.83Å; S446-Q448 VanDerWaalsContact OG-NE2 3.1Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å; S446-Q466 PolarHBondContact OG-OE1 2.79Å |
| 447 | N | 88.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.8 | 169.8 | -55.8 | -56.6 | 0 | 0 | 0 | 109.4 | K427 I432 N437 A455 N457 Q466 N467 Q468 | K427-N447 VanDerWaalsContact CD-OD1 3.3Å; K427-N447 WeakPolarHBondContact CD-OD1 3.45Å; K427-N447 VanDerWaalsContact CE-OD1 3.27Å; K427-N447 WeakPolarHBondContact CE-OD1 3.44Å; K427-N447 WeakPolarHBondContact CG-OD1 3.35Å; I432-N447 HydrophobicContact CD1-CB 4.47Å; N437-N447 PolarHBondContact ND2-ND2 3.38Å; N437-N447 PolarHBondContact ND2-OD1 2.86Å; N447-A455 HydrophobicContact CB-CB 4.37Å; N447-N457 PolarHBondContact ND2-OD1 3.22Å; N447-Q466 PolarHBondContact N-O 2.95Å; N447-N467 PolarHBondContact ND2-OD1 3.38Å; N447-N467 CarbonylContact O-C 3.56Å; N447-N467 WeakPolarHBondContact O-CA 3.41Å; N447-Q468 PolarHBondContact O-N 3.19Å |
| 448 | Q | 88.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 29% | 0.29 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.9 | -173.7 | -54.5 | -171 | 8.6 | 0 | 0 | 112.5 | K427 Q428 D429 I432 S446 Q468 | K427-Q448 PolarHBondContact O-N 2.91Å; Q428-Q448 WeakPolarHBondContact CA-O 3.23Å; D429-Q448 PolarHBondContact N-O 2.89Å; D429-Q448 VanDerWaalsContact N-O 3.13Å; I432-Q448 WeakPolarHBondContact CD1-O 3.35Å; S446-Q448 PolarHBondContact OG-NE2 2.83Å; S446-Q448 VanDerWaalsContact OG-NE2 3.1Å; Q448-Q468 WeakPolarHBondContact CA-O 3.32Å; Q448-Q468 HydrophobicContact CG-CB 4.24Å; Q448-Q468 HydrophobicContact CG-CG 4.5Å |
| 449 | G | 84.6 | Confident | 83.1 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | -178.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | D429 Q468 S469 | D429-G449 WeakPolarHBondContact O-CA 3.35Å; G449-Q468 PolarHBondContact N-O 2.83Å; G449-S469 WeakPolarHBondContact O-CA 3.37Å |
| 450 | K | 86.6 | Confident | 83.2 | Confident | 117 Ų | 117 | 48.4 Ų | 48.4 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -45.2 | 171.4 | -63.2 | -170.4 | 179.9 | -171.8 | 0 | 111.1 | K430 K470 K471 | K430-K450 WeakPolarHBondContact O-CB 3.24Å; K430-K450 PolarHBondContact O-N 2.89Å; K430-K450 VanDerWaalsContact O-N 3.16Å; K450-K470 WeakPolarHBondContact O-CA 3.47Å; K450-K470 VanDerWaalsContact O-CB 3.3Å; K450-K470 WeakPolarHBondContact O-CB 3.44Å; K450-K470 PolarHBondContact O-N 2.82Å; K450-K470 VanDerWaalsContact O-N 3.11Å; K450-K471 PolarHBondContact O-N 3.38Å |
| 451 | K | 85.9 | Confident | 83.1 | Confident | 126 Ų | 126 | 48.7 Ų | 48.7 | 55% | 0.548 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.4 | 166.9 | -69.1 | -175.7 | 178.8 | -175.4 | 0 | 108.4 | K430 K431 I432 K471 | K430-K451 PolarHBondContact O-N 2.84Å; K431-K451 WeakPolarHBondContact CA-O 3.39Å; K431-K451 HydrophobicContact CB-CB 4.37Å; K431-K451 HydrophobicContact CG-CB 3.95Å; I432-K451 PolarHBondContact N-O 2.9Å; K451-K471 CarbonylContact C-O 3.59Å; K451-K471 WeakPolarHBondContact CA-O 3.3Å |
| 452 | G | 81.8 | Confident | 82.7 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 136.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I432 K471 G472 E473 | I432-G452 CarbonylContact O-C 3.57Å; I432-G452 WeakPolarHBondContact O-CA 3.45Å; G452-K471 PolarHBondContact N-O 3.36Å; G452-G472 CarbonylContact O-C 3.57Å; G452-G472 VanDerWaalsContact O-CA 3.31Å; G452-G472 WeakPolarHBondContact O-CA 3.31Å; G452-E473 PolarHBondContact O-N 3.26Å |
| 453 | E | 84.9 | Confident | 82.7 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 126.5 | -172.1 | -165.3 | 177.3 | 144.6 | 0 | 0 | 109.5 | I432 E433 G434 A455 E473 | I432-E453 PolarHBondContact O-N 3.29Å; E433-E453 HydrophobicContact CG-CB 4.46Å; G434-E453 PolarHBondContact N-O 3.5Å; E453-A455 PolarHBondContact O-N 2.98Å; E453-E473 CarbonylContact C-O 3.59Å; E453-E473 WeakPolarHBondContact CA-O 3.39Å; E453-E473 HydrophobicContact CG-CB 4.43Å |
| 454 | G | 83.2 | Confident | 82.7 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 64 | 33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q456 E473 | G454-Q456 PolarHBondContact O-N 3.22Å; G454-E473 PolarHBondContact N-O 2.81Å |
| 455 | A | 88.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | trans | -76.1 | 120 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A435 N447 E453 A475 Q476 | A435-A455 HydrophobicContact CB-CB 4.41Å; A435-A455 CarbonylContact O-C 3.56Å; A435-A455 WeakPolarHBondContact O-CA 3.32Å; N447-A455 HydrophobicContact CB-CB 4.37Å; E453-A455 PolarHBondContact O-N 2.98Å; A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.25Å; A455-Q476 PolarHBondContact O-N 3.44Å | ||
| 456 | Q | 90 | Very high | 83.5 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.8 | -173.5 | -59.2 | -177.4 | -47.1 | 0 | 0 | 113 | A435 Q436 N437 G454 Q476 | A435-Q456 PolarHBondContact O-N 2.81Å; Q436-Q456 CarbonylContact C-O 3.59Å; Q436-Q456 WeakPolarHBondContact CA-O 2.99Å; Q436-Q456 HydrophobicContact CG-CB 4.37Å; N437-Q456 PolarHBondContact N-O 2.91Å; G454-Q456 PolarHBondContact O-N 3.22Å; Q456-Q476 CarbonylContact C-O 3.5Å; Q456-Q476 WeakPolarHBondContact CA-O 3.46Å; Q456-Q476 HydrophobicContact CG-CB 4.28Å |
| 457 | N | 88.9 | Confident | 83.6 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.3 | 169 | -58.3 | -47.2 | 0 | 0 | 0 | 109.5 | N437 N447 A465 Q466 N467 Q476 N477 Q478 | N437-N457 WeakPolarHBondContact CB-OD1 3.39Å; N437-N457 PolarHBondContact ND2-OD1 2.84Å; N437-N457 CarbonylContact O-C 3.54Å; N437-N457 WeakPolarHBondContact O-CA 3.36Å; N447-N457 PolarHBondContact ND2-OD1 3.22Å; N457-A465 HydrophobicContact CB-CB 3.99Å; N457-Q466 PolarHBondContact ND2-O 2.77Å; N457-N467 PolarHBondContact ND2-ND2 2.91Å; N457-N467 PolarHBondContact ND2-OD1 2.99Å; N457-N467 VanDerWaalsContact ND2-OD1 3.14Å; N457-Q476 PolarHBondContact N-O 2.79Å; N457-N477 WeakPolarHBondContact CB-OD1 3.35Å; N457-N477 PolarHBondContact ND2-OD1 3.19Å; N457-N477 CarbonylContact O-C 3.53Å; N457-N477 WeakPolarHBondContact O-CA 3.49Å; N457-Q478 PolarHBondContact O-N 3.48Å |
| 458 | Q | 86.6 | Confident | 83.6 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 29% | 0.29 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.6 | -176.4 | -56.9 | -167.9 | 13.7 | 0 | 0 | 113.6 | N437 Q438 G439 Q478 | N437-Q458 PolarHBondContact O-N 3.43Å; Q438-Q458 CarbonylContact C-O 3.54Å; Q438-Q458 WeakPolarHBondContact CA-O 3.27Å; Q438-Q458 HydrophobicContact CG-CB 4.35Å; G439-Q458 PolarHBondContact N-O 2.97Å; Q458-Q478 CarbonylContact C-O 3.56Å; Q458-Q478 WeakPolarHBondContact CA-O 3.31Å; Q458-Q478 HydrophobicContact CG-CB 4.33Å |
| 459 | G | 80.7 | Confident | 83.6 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | trans | -139 | 158.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G439 Q478 A479 K480 | G439-G459 WeakPolarHBondContact O-CA 3.45Å; G459-Q478 PolarHBondContact N-O 2.92Å; G459-A479 WeakPolarHBondContact O-CA 3.4Å; G459-K480 PolarHBondContact O-N 2.85Å | ||
| 460 | K | 80.6 | Confident | 83.7 | Confident | 114 Ų | 114 | 54.1 Ų | 54.1 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -95.4 | -45.3 | 164.6 | -62.9 | -168 | -178.9 | -169 | 0 | 112.1 | G439 K440 K480 K481 | G439-K460 PolarHBondContact O-N 2.91Å; K440-K460 HydrophobicContact CG-CD 4.45Å; K440-K460 WeakPolarHBondContact O-CB 3.34Å; K440-K460 PolarHBondContact O-N 3.06Å; K460-K480 WeakPolarHBondContact O-CB 3.44Å; K460-K480 PolarHBondContact O-N 2.87Å; K460-K481 PolarHBondContact O-N 3.47Å |
| 461 | K | 76.8 | Confident | 83.7 | Confident | 117 Ų | 117 | 52.3 Ų | 52.3 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 113 | 160.3 | -64.4 | -167.9 | 175.9 | -171 | 0 | 105.4 | K440 K441 P442 K481 | K440-K461 PolarHBondContact O-N 3.48Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.4Å; K441-K461 HydrophobicContact CG-CB 4.39Å; P442-K461 WeakPolarHBondContact CD-O 3.36Å; K461-K481 VanDerWaalsContact CA-O 3.26Å; K461-K481 WeakPolarHBondContact CA-O 3.32Å; K461-K481 HydrophobicContact CG-CB 4.3Å |
| 462 | G | 69 | Low | 83.5 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 144 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P442 K481 G482 E483 | P442-G462 WeakPolarHBondContact O-CA 3.42Å; G462-K481 PolarHBondContact N-O 3.19Å; G462-G482 WeakPolarHBondContact O-CA 3.3Å; G462-E483 PolarHBondContact O-N 2.86Å |
| 463 | E | 72.5 | Confident | 83.6 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.2 | -169.3 | -76.7 | 127.8 | -130.3 | 0 | 0 | 110 | P442 G444 E483 | P442-E463 PolarHBondContact O-N 2.77Å; G444-E463 PolarHBondContact N-O 2.92Å; E463-E483 WeakPolarHBondContact CA-O 3.18Å; E463-E483 HydrophobicContact CG-CB 4.31Å |
| 464 | G | 73.2 | Confident | 83.5 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | trans | 68.7 | 41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G444 E483 G484 | G444-G464 WeakPolarHBondContact CA-O 2.9Å; G464-E483 PolarHBondContact N-O 3.31Å; G464-E483 VanDerWaalsContact N-O 3.11Å; G464-G484 WeakPolarHBondContact CA-O 3.3Å | ||
| 465 | A | 86.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | trans | -82.3 | 117.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T445 N457 N477 G484 G485 Q486 | T445-A465 CarbonylContact O-C 3.55Å; T445-A465 WeakPolarHBondContact O-CA 3.35Å; N457-A465 HydrophobicContact CB-CB 3.99Å; A465-N477 HydrophobicContact CB-CB 4.4Å; A465-G484 PolarHBondContact N-O 2.87Å; A465-G485 CarbonylContact O-C 3.41Å; A465-Q486 PolarHBondContact O-N 3.42Å | ||
| 466 | Q | 89.2 | Confident | 83.8 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.7 | -173.4 | -64.5 | -172.9 | -24.2 | 0 | 0 | 113.5 | T445 S446 N447 N457 Q486 | T445-Q466 PolarHBondContact O-N 2.91Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å; S446-Q466 PolarHBondContact OG-OE1 2.79Å; N447-Q466 PolarHBondContact N-O 2.95Å; N457-Q466 PolarHBondContact ND2-O 2.77Å; Q466-Q486 CarbonylContact C-O 3.49Å; Q466-Q486 WeakPolarHBondContact CA-O 3.26Å; Q466-Q486 HydrophobicContact CG-CB 4.27Å |
| 467 | N | 90.2 | Very high | 83.7 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125 | 162.5 | -58.8 | -60.7 | 0 | 0 | 0 | 109.5 | N447 N457 A475 N477 Q486 N487 Q488 | N447-N467 PolarHBondContact ND2-OD1 3.38Å; N447-N467 CarbonylContact O-C 3.56Å; N447-N467 WeakPolarHBondContact O-CA 3.41Å; N457-N467 PolarHBondContact ND2-ND2 2.91Å; N457-N467 PolarHBondContact ND2-OD1 2.99Å; N457-N467 VanDerWaalsContact ND2-OD1 3.14Å; N467-A475 HydrophobicContact CB-CB 4.01Å; N467-N477 PolarHBondContact ND2-OD1 2.93Å; N467-N477 VanDerWaalsContact ND2-OD1 3.11Å; N467-Q486 PolarHBondContact N-O 2.87Å; N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.99Å; N467-N487 CarbonylContact O-C 3.56Å; N467-N487 WeakPolarHBondContact O-CA 2.99Å; N467-Q488 PolarHBondContact O-N 2.91Å |
| 468 | Q | 88.8 | Confident | 83.6 | Confident | 59 Ų | 59 | 48.3 Ų | 48.3 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.9 | -178.5 | -55.1 | -169.8 | 16.6 | 0 | 0 | 112.2 | N447 Q448 G449 Q488 | N447-Q468 PolarHBondContact O-N 3.19Å; Q448-Q468 WeakPolarHBondContact CA-O 3.32Å; Q448-Q468 HydrophobicContact CG-CB 4.24Å; Q448-Q468 HydrophobicContact CG-CG 4.5Å; G449-Q468 PolarHBondContact N-O 2.83Å; Q468-Q488 CarbonylContact C-O 3.56Å; Q468-Q488 WeakPolarHBondContact CA-O 3.2Å; Q468-Q488 HydrophobicContact CG-CB 4.36Å |
| 469 | S | 88 | Confident | 83.4 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | trans | -150.1 | 167.4 | -175.9 | 68.7 | 0 | 0 | 0 | 0 | 114.4 | G449 K471 G472 Q488 A489 | G449-S469 WeakPolarHBondContact O-CA 3.37Å; S469-K471 WeakPolarHBondContact CB-O 3.39Å; S469-G472 VanDerWaalsContact OG-CA 3.25Å; S469-G472 WeakPolarHBondContact OG-CA 3.37Å; S469-G472 PolarHBondContact OG-N 3.44Å; S469-Q488 PolarHBondContact N-O 2.89Å; S469-Q488 PolarHBondContact OG-O 2.83Å; S469-A489 WeakPolarHBondContact O-CA 3.44Å | ||
| 470 | K | 86.1 | Confident | 83.3 | Confident | 112 Ų | 112 | 51 Ų | 51 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -93.8 | -51.3 | 163.3 | -60 | -173.1 | -179.9 | -172.6 | 0 | 111.3 | K450 K490 K491 | K450-K470 WeakPolarHBondContact O-CA 3.47Å; K450-K470 VanDerWaalsContact O-CB 3.3Å; K450-K470 WeakPolarHBondContact O-CB 3.44Å; K450-K470 PolarHBondContact O-N 2.82Å; K450-K470 VanDerWaalsContact O-N 3.11Å; K470-K490 WeakPolarHBondContact O-CA 3.39Å; K470-K490 WeakPolarHBondContact O-CB 3.35Å; K470-K490 PolarHBondContact O-N 2.91Å; K470-K490 VanDerWaalsContact O-N 3.13Å; K470-K491 PolarHBondContact O-N 3.06Å |
| 471 | K | 86.7 | Confident | 83 | Confident | 79 Ų | 79 | 49 Ų | 49 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.6 | 155.9 | -164.2 | -152.6 | 174.1 | -151.2 | 0 | 108.4 | K450 K451 G452 S469 E473 K491 | K450-K471 PolarHBondContact O-N 3.38Å; K451-K471 CarbonylContact C-O 3.59Å; K451-K471 WeakPolarHBondContact CA-O 3.3Å; G452-K471 PolarHBondContact N-O 3.36Å; S469-K471 WeakPolarHBondContact CB-O 3.39Å; K471-E473 IonicContact NZ-OE2 2.61Å; K471-E473 PolarHBondContact NZ-OE2 3.44Å; K471-K491 CarbonylContact C-O 3.55Å; K471-K491 VanDerWaalsContact CA-O 3.31Å; K471-K491 WeakPolarHBondContact CA-O 3.2Å; K471-K491 HydrophobicContact CG-CB 4.39Å |
| 472 | G | 81.5 | Confident | 82.5 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G452 S469 K491 G492 E493 | G452-G472 CarbonylContact O-C 3.57Å; G452-G472 VanDerWaalsContact O-CA 3.31Å; G452-G472 WeakPolarHBondContact O-CA 3.31Å; S469-G472 VanDerWaalsContact OG-CA 3.25Å; S469-G472 WeakPolarHBondContact OG-CA 3.37Å; S469-G472 PolarHBondContact OG-N 3.44Å; G472-K491 PolarHBondContact N-O 3.4Å; G472-G492 WeakPolarHBondContact O-CA 3.38Å; G472-E493 PolarHBondContact O-N 3.27Å |
| 473 | E | 84.1 | Confident | 82.4 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 132.4 | 177.3 | -160.2 | 161.3 | 156.2 | 0 | 0 | 110.6 | G452 E453 G454 K471 A475 E493 | G452-E473 PolarHBondContact O-N 3.26Å; E453-E473 CarbonylContact C-O 3.59Å; E453-E473 WeakPolarHBondContact CA-O 3.39Å; E453-E473 HydrophobicContact CG-CB 4.43Å; G454-E473 PolarHBondContact N-O 2.81Å; K471-E473 IonicContact NZ-OE2 2.61Å; K471-E473 PolarHBondContact NZ-OE2 3.44Å; E473-A475 PolarHBondContact O-N 2.86Å; E473-E493 CarbonylContact C-O 3.55Å; E473-E493 VanDerWaalsContact CA-O 3.3Å; E473-E493 WeakPolarHBondContact CA-O 3.27Å; E473-E493 HydrophobicContact CG-CB 4.23Å |
| 474 | G | 82.7 | Confident | 82.2 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 62.5 | 33.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E493 | G474-E493 PolarHBondContact N-O 3.37Š|
| 475 | A | 88.5 | Confident | 82.5 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | trans | -73.5 | 126.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | A455 N467 E473 A495 Q496 | A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.25Å; N467-A475 HydrophobicContact CB-CB 4.01Å; E473-A475 PolarHBondContact O-N 2.86Å; A475-A495 CarbonylContact O-C 3.58Å; A475-A495 WeakPolarHBondContact O-CA 3.37Å; A475-Q496 PolarHBondContact O-N 2.83Å | ||
| 476 | Q | 90.1 | Very high | 82.5 | Confident | 39 Ų | 39 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.8 | -173.4 | -58 | -177.6 | -11.1 | 0 | 0 | 112.9 | A455 Q456 N457 Q496 | A455-Q476 PolarHBondContact O-N 3.44Å; Q456-Q476 CarbonylContact C-O 3.5Å; Q456-Q476 WeakPolarHBondContact CA-O 3.46Å; Q456-Q476 HydrophobicContact CG-CB 4.28Å; N457-Q476 PolarHBondContact N-O 2.79Å; Q476-Q496 CarbonylContact C-O 3.58Å; Q476-Q496 WeakPolarHBondContact CA-O 3.06Å; Q476-Q496 HydrophobicContact CG-CB 4.27Å |
| 477 | N | 88.5 | Confident | 82.5 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.7 | 166.2 | -57.3 | -54.9 | 0 | 0 | 0 | 109.5 | N457 A465 N467 N487 Q496 N497 Q498 | N457-N477 WeakPolarHBondContact CB-OD1 3.35Å; N457-N477 PolarHBondContact ND2-OD1 3.19Å; N457-N477 CarbonylContact O-C 3.53Å; N457-N477 WeakPolarHBondContact O-CA 3.49Å; A465-N477 HydrophobicContact CB-CB 4.4Å; N467-N477 PolarHBondContact ND2-OD1 2.93Å; N467-N477 VanDerWaalsContact ND2-OD1 3.11Å; N477-N487 PolarHBondContact ND2-ND2 3.21Å; N477-N487 PolarHBondContact ND2-OD1 3.5Å; N477-N487 VanDerWaalsContact ND2-OD1 3.11Å; N477-Q496 PolarHBondContact N-O 3.47Å; N477-N497 WeakPolarHBondContact CB-OD1 3.28Å; N477-N497 PolarHBondContact ND2-OD1 2.99Å; N477-N497 CarbonylContact O-C 3.57Å; N477-N497 WeakPolarHBondContact O-CA 3.35Å; N477-Q498 PolarHBondContact O-N 3.22Å |
| 478 | Q | 86.3 | Confident | 82.3 | Confident | 62 Ų | 62 | 44.5 Ų | 44.5 | 29% | 0.29 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.5 | -178.4 | -55.6 | -171.3 | 17.1 | 0 | 0 | 112.2 | N457 Q458 G459 Q498 | N457-Q478 PolarHBondContact O-N 3.48Å; Q458-Q478 CarbonylContact C-O 3.56Å; Q458-Q478 WeakPolarHBondContact CA-O 3.31Å; Q458-Q478 HydrophobicContact CG-CB 4.33Å; G459-Q478 PolarHBondContact N-O 2.92Å; Q478-Q498 CarbonylContact C-O 3.6Å; Q478-Q498 WeakPolarHBondContact CA-O 3.3Å; Q478-Q498 HydrophobicContact CG-CB 4.34Å |
| 479 | A | 82.4 | Confident | 82.1 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 21% | 0.207 | 23% | 0.227 | C | C | . | . | trans | -136.9 | 159.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G459 Q498 A499 K500 | G459-A479 WeakPolarHBondContact O-CA 3.4Å; A479-Q498 PolarHBondContact N-O 3.42Å; A479-A499 WeakPolarHBondContact O-CA 3.3Å; A479-K500 PolarHBondContact O-N 3.31Å | ||
| 480 | K | 77.8 | Confident | 81.8 | Confident | 110 Ų | 110 | 47 Ų | 47 | 48% | 0.478 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -96 | -53.3 | 168 | -59.5 | -173.4 | -178.6 | -174.7 | 0 | 111.2 | G459 K460 K500 K501 | G459-K480 PolarHBondContact O-N 2.85Å; K460-K480 WeakPolarHBondContact O-CB 3.44Å; K460-K480 PolarHBondContact O-N 2.87Å; K480-K500 WeakPolarHBondContact O-CA 3.29Å; K480-K500 VanDerWaalsContact O-CB 3.26Å; K480-K500 WeakPolarHBondContact O-CB 3.46Å; K480-K500 PolarHBondContact O-N 3.13Å; K480-K501 PolarHBondContact O-N 3.27Å |
| 481 | K | 75.2 | Confident | 81.6 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.1 | 148.3 | -174.1 | -173.7 | 179.3 | -77.6 | 0 | 107.5 | K460 K461 G462 E483 K501 | K460-K481 PolarHBondContact O-N 3.47Å; K461-K481 VanDerWaalsContact CA-O 3.26Å; K461-K481 WeakPolarHBondContact CA-O 3.32Å; K461-K481 HydrophobicContact CG-CB 4.3Å; G462-K481 PolarHBondContact N-O 3.19Å; K481-E483 IonicContact NZ-OE1 3.61Å; K481-E483 PolarHBondContact NZ-OE1 2.86Å; K481-E483 IonicContact NZ-OE2 2.64Å; K481-E483 PolarHBondContact NZ-OE2 2.84Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.3Å |
| 482 | G | 65.5 | Low | 81 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 154.1 | 166 | 0 | 0 | 0 | 0 | 0 | 114 | G462 K501 G502 E503 | G462-G482 WeakPolarHBondContact O-CA 3.3Å; G482-K501 PolarHBondContact N-O 3.18Å; G482-G502 WeakPolarHBondContact O-CA 3.34Å; G482-E503 PolarHBondContact O-N 3.2Å |
| 483 | E | 66.1 | Low | 80.9 | Confident | 62 Ų | 62 | 43.1 Ų | 43.1 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 148.5 | 178 | -75 | 96.2 | -94.5 | 0 | 0 | 110.6 | G462 E463 G464 K481 E503 | G462-E483 PolarHBondContact O-N 2.86Å; E463-E483 WeakPolarHBondContact CA-O 3.18Å; E463-E483 HydrophobicContact CG-CB 4.31Å; G464-E483 PolarHBondContact N-O 3.31Å; G464-E483 VanDerWaalsContact N-O 3.11Å; K481-E483 IonicContact NZ-OE1 3.61Å; K481-E483 PolarHBondContact NZ-OE1 2.86Å; K481-E483 IonicContact NZ-OE2 2.64Å; K481-E483 PolarHBondContact NZ-OE2 2.84Å; E483-E503 WeakPolarHBondContact CA-O 3.41Å; E483-E503 HydrophobicContact CG-CB 4.16Å |
| 484 | G | 69 | Low | 80.6 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | trans | 70.6 | 46.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G464 A465 E503 G504 | G464-G484 WeakPolarHBondContact CA-O 3.3Å; A465-G484 PolarHBondContact N-O 2.87Å; G484-E503 PolarHBondContact N-O 2.87Å; G484-G504 WeakPolarHBondContact CA-O 3.38Å | ||
| 485 | G | 79.5 | Confident | 80.7 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | trans | -78.8 | 116.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A465 A505 Q506 | A465-G485 CarbonylContact O-C 3.41Å; G485-A505 CarbonylContact O-C 3.57Å; G485-A505 WeakPolarHBondContact O-CA 3.43Å; G485-Q506 PolarHBondContact O-N 3.07Å | ||
| 486 | Q | 87.1 | Confident | 80.6 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.9 | -172.9 | -60.8 | -178.1 | -32.5 | 0 | 0 | 112.3 | A465 Q466 N467 Q506 | A465-Q486 PolarHBondContact O-N 3.42Å; Q466-Q486 CarbonylContact C-O 3.49Å; Q466-Q486 WeakPolarHBondContact CA-O 3.26Å; Q466-Q486 HydrophobicContact CG-CB 4.27Å; N467-Q486 PolarHBondContact N-O 2.87Å; Q486-Q506 CarbonylContact C-O 3.55Å; Q486-Q506 VanDerWaalsContact CA-O 3.27Å; Q486-Q506 WeakPolarHBondContact CA-O 3.35Å; Q486-Q506 HydrophobicContact CG-CB 4.28Å |
| 487 | N | 87.9 | Confident | 80.4 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.4 | 168.5 | -56.5 | -61.9 | 0 | 0 | 0 | 110.5 | N467 N477 A495 N497 Q506 N507 Q508 | N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.99Å; N467-N487 CarbonylContact O-C 3.56Å; N467-N487 WeakPolarHBondContact O-CA 2.99Å; N477-N487 PolarHBondContact ND2-ND2 3.21Å; N477-N487 PolarHBondContact ND2-OD1 3.5Å; N477-N487 VanDerWaalsContact ND2-OD1 3.11Å; N487-A495 HydrophobicContact CB-CB 4.07Å; N487-N497 PolarHBondContact ND2-OD1 2.95Å; N487-Q506 PolarHBondContact N-O 3.4Å; N487-N507 WeakPolarHBondContact CB-OD1 3.29Å; N487-N507 PolarHBondContact ND2-OD1 3.44Å; N487-N507 CarbonylContact O-C 3.51Å; N487-N507 VanDerWaalsContact O-CA 3.31Å; N487-N507 WeakPolarHBondContact O-CA 3.37Å; N487-Q508 PolarHBondContact O-N 2.91Å |
| 488 | Q | 86.2 | Confident | 80.1 | Confident | 63 Ų | 63 | 42.4 Ų | 42.4 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134 | -179.1 | -57.7 | -170.5 | 11.1 | 0 | 0 | 112.4 | N467 Q468 S469 Q508 | N467-Q488 PolarHBondContact O-N 2.91Å; Q468-Q488 CarbonylContact C-O 3.56Å; Q468-Q488 WeakPolarHBondContact CA-O 3.2Å; Q468-Q488 HydrophobicContact CG-CB 4.36Å; S469-Q488 PolarHBondContact N-O 2.89Å; S469-Q488 PolarHBondContact OG-O 2.83Å; Q488-Q508 CarbonylContact C-O 3.37Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.32Å |
| 489 | A | 85.1 | Confident | 79.7 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 16% | 0.157 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S469 Q508 A509 K510 | S469-A489 WeakPolarHBondContact O-CA 3.44Å; A489-Q508 PolarHBondContact N-O 3.42Å; A489-A509 WeakPolarHBondContact O-CA 3.43Å; A489-K510 PolarHBondContact O-N 2.6Å |
| 490 | K | 81.3 | Confident | 79.2 | Confident | 118 Ų | 118 | 44.7 Ų | 44.7 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -45.8 | 164.7 | -62.5 | -168.6 | 179.5 | -169.8 | 0 | 111.5 | K470 K510 K511 | K470-K490 WeakPolarHBondContact O-CA 3.39Å; K470-K490 WeakPolarHBondContact O-CB 3.35Å; K470-K490 PolarHBondContact O-N 2.91Å; K470-K490 VanDerWaalsContact O-N 3.13Å; K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 2.61Å; K490-K511 PolarHBondContact O-N 3.09Å |
| 491 | K | 81.5 | Confident | 78.9 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.1 | 156.8 | -164.4 | -164.5 | -172.5 | -114.5 | 0 | 107.9 | K470 K471 G472 E493 K511 | K470-K491 PolarHBondContact O-N 3.06Å; K471-K491 CarbonylContact C-O 3.55Å; K471-K491 VanDerWaalsContact CA-O 3.31Å; K471-K491 WeakPolarHBondContact CA-O 3.2Å; K471-K491 HydrophobicContact CG-CB 4.39Å; G472-K491 PolarHBondContact N-O 3.4Å; K491-E493 WeakPolarHBondContact CD-OE1 3.3Å; K491-E493 WeakPolarHBondContact CE-OE1 3.49Å; K491-E493 WeakPolarHBondContact CG-OE1 3.35Å; K491-E493 IonicContact NZ-OE1 2.63Å; K491-E493 PolarHBondContact NZ-OE1 3.44Å; K491-E493 IonicContact NZ-OE2 3.75Å; K491-E493 PolarHBondContact NZ-OE2 3.4Å; K491-K511 CarbonylContact C-O 3.59Å; K491-K511 VanDerWaalsContact CA-O 3.28Å; K491-K511 WeakPolarHBondContact CA-O 3.44Å; K491-K511 HydrophobicContact CG-CB 4.43Å |
| 492 | G | 75.3 | Confident | 78.3 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 123.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G472 K511 G512 E513 | G472-G492 WeakPolarHBondContact O-CA 3.38Å; G492-K511 PolarHBondContact N-O 3.2Å; G492-G512 CarbonylContact O-C 3.58Å; G492-G512 WeakPolarHBondContact O-CA 2.97Å; G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.14Å |
| 493 | E | 79.3 | Confident | 78.4 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.5 | 173.8 | -76 | 103.1 | -100 | 0 | 0 | 111.4 | G472 E473 G474 K491 A495 E513 | G472-E493 PolarHBondContact O-N 3.27Å; E473-E493 CarbonylContact C-O 3.55Å; E473-E493 VanDerWaalsContact CA-O 3.3Å; E473-E493 WeakPolarHBondContact CA-O 3.27Å; E473-E493 HydrophobicContact CG-CB 4.23Å; G474-E493 PolarHBondContact N-O 3.37Å; K491-E493 WeakPolarHBondContact CD-OE1 3.3Å; K491-E493 WeakPolarHBondContact CE-OE1 3.49Å; K491-E493 WeakPolarHBondContact CG-OE1 3.35Å; K491-E493 IonicContact NZ-OE1 2.63Å; K491-E493 PolarHBondContact NZ-OE1 3.44Å; K491-E493 IonicContact NZ-OE2 3.75Å; K491-E493 PolarHBondContact NZ-OE2 3.4Å; E493-A495 PolarHBondContact O-N 3.33Å; E493-E513 WeakPolarHBondContact CA-O 2.94Å; E493-E513 HydrophobicContact CG-CB 4.3Å |
| 494 | G | 77.5 | Confident | 78.5 | Confident | 24 Ų | 24 | 41 Ų | 41 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 68.2 | 32.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | E513 G514 | G494-E513 PolarHBondContact N-O 3.02Å; G494-G514 WeakPolarHBondContact CA-O 3.26Å |
| 495 | A | 84.7 | Confident | 79 | Confident | 15 Ų | 15 | 41 Ų | 41 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | trans | -74.7 | 126.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A475 N487 E493 V515 Q516 | A475-A495 CarbonylContact O-C 3.58Å; A475-A495 WeakPolarHBondContact O-CA 3.37Å; N487-A495 HydrophobicContact CB-CB 4.07Å; E493-A495 PolarHBondContact O-N 3.33Å; A495-V515 CarbonylContact O-C 3.54Å; A495-V515 WeakPolarHBondContact O-CA 3.03Å; A495-Q516 PolarHBondContact O-N 3.43Å | ||
| 496 | Q | 86.8 | Confident | 79.1 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140 | -175.8 | -53.3 | -168.5 | -3.9 | 0 | 0 | 114.2 | A475 Q476 N477 Q516 | A475-Q496 PolarHBondContact O-N 2.83Å; Q476-Q496 CarbonylContact C-O 3.58Å; Q476-Q496 WeakPolarHBondContact CA-O 3.06Å; Q476-Q496 HydrophobicContact CG-CB 4.27Å; N477-Q496 PolarHBondContact N-O 3.47Å; Q496-Q516 CarbonylContact C-O 3.58Å; Q496-Q516 VanDerWaalsContact CA-O 3.25Å; Q496-Q516 WeakPolarHBondContact CA-O 3.29Å; Q496-Q516 HydrophobicContact CG-CB 4.21Å |
| 497 | N | 84.9 | Confident | 78.9 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.1 | 165.1 | -58.4 | -54.4 | 0 | 0 | 0 | 110 | N477 N487 A505 N507 Q516 N517 Q518 | N477-N497 WeakPolarHBondContact CB-OD1 3.28Å; N477-N497 PolarHBondContact ND2-OD1 2.99Å; N477-N497 CarbonylContact O-C 3.57Å; N477-N497 WeakPolarHBondContact O-CA 3.35Å; N487-N497 PolarHBondContact ND2-OD1 2.95Å; N497-A505 HydrophobicContact CB-CB 3.97Å; N497-N507 PolarHBondContact ND2-ND2 3.38Å; N497-N507 PolarHBondContact ND2-OD1 2.94Å; N497-Q516 PolarHBondContact N-O 3.37Å; N497-N517 WeakPolarHBondContact CB-OD1 3.43Å; N497-N517 PolarHBondContact ND2-OD1 2.84Å; N497-N517 CarbonylContact O-C 3.57Å; N497-N517 WeakPolarHBondContact O-CA 3.46Å; N497-Q518 PolarHBondContact O-N 3.08Å |
| 498 | Q | 82.3 | Confident | 78.5 | Confident | 62 Ų | 62 | 43.4 Ų | 43.4 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.9 | -178.4 | -56.5 | -171.5 | 17.7 | 0 | 0 | 112.1 | N477 Q478 A479 Q518 | N477-Q498 PolarHBondContact O-N 3.22Å; Q478-Q498 CarbonylContact C-O 3.6Å; Q478-Q498 WeakPolarHBondContact CA-O 3.3Å; Q478-Q498 HydrophobicContact CG-CB 4.34Å; A479-Q498 PolarHBondContact N-O 3.42Å; Q498-Q518 CarbonylContact C-O 3.52Å; Q498-Q518 WeakPolarHBondContact CA-O 3.35Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å |
| 499 | A | 78.2 | Confident | 78.2 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 160.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A479 Q518 A519 K520 | A479-A499 WeakPolarHBondContact O-CA 3.3Å; A499-Q518 PolarHBondContact N-O 2.97Å; A499-A519 HydrophobicContact CB-CB 4.04Å; A499-A519 VanDerWaalsContact O-CA 3.29Å; A499-A519 WeakPolarHBondContact O-CA 3.09Å; A499-K520 PolarHBondContact O-N 2.83Å |
| 500 | K | 72.3 | Confident | 77.7 | Confident | 115 Ų | 115 | 45.8 Ų | 45.8 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -95.7 | -40.3 | 161.9 | -59.7 | -168.2 | 177.8 | -167.4 | 0 | 112.3 | A479 K480 K520 K521 | A479-K500 PolarHBondContact O-N 3.31Å; K480-K500 WeakPolarHBondContact O-CA 3.29Å; K480-K500 VanDerWaalsContact O-CB 3.26Å; K480-K500 WeakPolarHBondContact O-CB 3.46Å; K480-K500 PolarHBondContact O-N 3.13Å; K500-K520 CarbonylContact O-C 3.53Å; K500-K521 PolarHBondContact O-N 2.98Å |
| 501 | K | 70.8 | Confident | 77.3 | Confident | 86 Ų | 86 | 43.7 Ų | 43.7 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.7 | 152.6 | -163.5 | -145.8 | -178.8 | -127.2 | 0 | 108.5 | K480 K481 G482 E503 K521 | K480-K501 PolarHBondContact O-N 3.27Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.3Å; G482-K501 PolarHBondContact N-O 3.18Å; K501-E503 VanDerWaalsContact CE-OE1 3.26Å; K501-E503 WeakPolarHBondContact CE-OE1 3.35Å; K501-E503 IonicContact NZ-OE1 2.62Å; K501-E503 PolarHBondContact NZ-OE1 2.92Å; K501-E503 IonicContact NZ-OE2 2.96Å; K501-E503 PolarHBondContact NZ-OE2 3.29Å; K501-K521 VanDerWaalsContact CA-O 3.25Å; K501-K521 WeakPolarHBondContact CA-O 3.41Å; K501-K521 VanDerWaalsContact CG-O 3.29Å; K501-K521 WeakPolarHBondContact CG-O 3.36Å |
| 502 | G | 64.3 | Low | 76.5 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | 159.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G482 G522 | G482-G502 WeakPolarHBondContact O-CA 3.34Å; G502-G522 CarbonylContact O-C 3.53Å |
| 503 | E | 67.3 | Low | 76.3 | Confident | 54 Ų | 54 | 42.4 Ų | 42.4 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.7 | -176.3 | -69.8 | 104 | -97.4 | 0 | 0 | 110.1 | G482 E483 G484 K501 E524 | G482-E503 PolarHBondContact O-N 3.2Å; E483-E503 WeakPolarHBondContact CA-O 3.41Å; E483-E503 HydrophobicContact CG-CB 4.16Å; G484-E503 PolarHBondContact N-O 2.87Å; K501-E503 VanDerWaalsContact CE-OE1 3.26Å; K501-E503 WeakPolarHBondContact CE-OE1 3.35Å; K501-E503 IonicContact NZ-OE1 2.62Å; K501-E503 PolarHBondContact NZ-OE1 2.92Å; K501-E503 IonicContact NZ-OE2 2.96Å; K501-E503 PolarHBondContact NZ-OE2 3.29Å; E503-E524 WeakPolarHBondContact CA-O 3.36Å; E503-E524 HydrophobicContact CG-CB 4.08Å |
| 504 | G | 68.2 | Low | 75.8 | Confident | 25 Ų | 25 | 42 Ų | 42 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | trans | 70.9 | 36.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G484 Q506 E524 G525 | G484-G504 WeakPolarHBondContact CA-O 3.38Å; G504-Q506 PolarHBondContact O-N 2.84Å; G504-E524 PolarHBondContact N-O 3.46Å; G504-G525 WeakPolarHBondContact CA-O 3.26Å | ||
| 505 | A | 77.8 | Confident | 75.8 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | trans | -79.1 | 111.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G485 N497 A526 Q527 | G485-A505 CarbonylContact O-C 3.57Å; G485-A505 WeakPolarHBondContact O-CA 3.43Å; N497-A505 HydrophobicContact CB-CB 3.97Å; A505-A526 HydrophobicContact CB-CB 4.41Å; A505-A526 CarbonylContact O-C 3.58Å; A505-A526 WeakPolarHBondContact O-CA 3.26Å; A505-Q527 PolarHBondContact O-N 3.3Å | ||
| 506 | Q | 81.7 | Confident | 75.5 | Confident | 45 Ų | 45 | 43.1 Ų | 43.1 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.6 | -172.5 | -58.3 | 179.1 | -40.6 | 0 | 0 | 112.8 | G485 Q486 N487 G504 Q527 | G485-Q506 PolarHBondContact O-N 3.07Å; Q486-Q506 CarbonylContact C-O 3.55Å; Q486-Q506 VanDerWaalsContact CA-O 3.27Å; Q486-Q506 WeakPolarHBondContact CA-O 3.35Å; Q486-Q506 HydrophobicContact CG-CB 4.28Å; N487-Q506 PolarHBondContact N-O 3.4Å; G504-Q506 PolarHBondContact O-N 2.84Å; Q506-Q527 CarbonylContact C-O 3.55Å; Q506-Q527 VanDerWaalsContact CA-O 3.27Å; Q506-Q527 WeakPolarHBondContact CA-O 3.26Å; Q506-Q527 HydrophobicContact CG-CB 4.28Å |
| 507 | N | 83.5 | Confident | 75.1 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.032 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.5 | 170.1 | -55.9 | -66.4 | 0 | 0 | 0 | 110.4 | N487 N497 V515 N517 Q527 N528 Q529 | N487-N507 WeakPolarHBondContact CB-OD1 3.29Å; N487-N507 PolarHBondContact ND2-OD1 3.44Å; N487-N507 CarbonylContact O-C 3.51Å; N487-N507 VanDerWaalsContact O-CA 3.31Å; N487-N507 WeakPolarHBondContact O-CA 3.37Å; N497-N507 PolarHBondContact ND2-ND2 3.38Å; N497-N507 PolarHBondContact ND2-OD1 2.94Å; N507-V515 HydrophobicContact CB-CG1 3.65Å; N507-V515 VanDerWaalsContact ND2-CG1 3.3Å; N507-V515 WeakPolarHBondContact ND2-CG1 3.29Å; N507-N517 PolarHBondContact ND2-ND2 2.96Å; N507-N517 PolarHBondContact ND2-OD1 3.26Å; N507-Q527 PolarHBondContact N-O 3.31Å; N507-N528 PolarHBondContact ND2-OD1 3.36Å; N507-N528 CarbonylContact O-C 3.56Å; N507-N528 VanDerWaalsContact O-CA 3.29Å; N507-N528 WeakPolarHBondContact O-CA 3.27Å; N507-Q529 PolarHBondContact O-N 3.22Å |
| 508 | Q | 80.5 | Confident | 74.7 | Confident | 67 Ų | 67 | 43.8 Ų | 43.8 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 116.3 | 179.8 | -56.4 | -171.6 | 6 | 0 | 0 | 110.9 | N487 Q488 A489 Q529 | N487-Q508 PolarHBondContact O-N 2.91Å; Q488-Q508 CarbonylContact C-O 3.37Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.32Å; A489-Q508 PolarHBondContact N-O 3.42Å; Q508-Q529 CarbonylContact C-O 3.54Å; Q508-Q529 WeakPolarHBondContact CA-O 3.25Å; Q508-Q529 HydrophobicContact CG-CB 4.29Å |
| 509 | A | 78.9 | Confident | 74.2 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 118.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A489 Q529 G530 | A489-A509 WeakPolarHBondContact O-CA 3.43Å; A509-Q529 PolarHBondContact N-O 2.93Å; A509-G530 WeakPolarHBondContact O-CA 3.29Å |
| 510 | K | 74 | Confident | 73.6 | Confident | 115 Ų | 115 | 46.1 Ų | 46.1 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -44.4 | -179.2 | -66 | -171.9 | 179.7 | -174.7 | 0 | 111.9 | A489 K490 K531 K532 | A489-K510 PolarHBondContact O-N 2.6Å; K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 2.61Å; K510-K531 WeakPolarHBondContact O-CA 3.25Å; K510-K531 VanDerWaalsContact O-CB 3.3Å; K510-K531 WeakPolarHBondContact O-CB 3.01Å; K510-K531 PolarHBondContact O-N 3.01Å; K510-K531 VanDerWaalsContact O-N 3.08Å; K510-K532 PolarHBondContact O-N 2.86Å |
| 511 | K | 73 | Confident | 73.2 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.1 | 151.5 | -168.8 | -167.5 | -172.2 | -129.4 | 0 | 108.2 | K490 K491 G492 E513 K532 | K490-K511 PolarHBondContact O-N 3.09Å; K491-K511 CarbonylContact C-O 3.59Å; K491-K511 VanDerWaalsContact CA-O 3.28Å; K491-K511 WeakPolarHBondContact CA-O 3.44Å; K491-K511 HydrophobicContact CG-CB 4.43Å; G492-K511 PolarHBondContact N-O 3.2Å; K511-E513 WeakPolarHBondContact CE-OE1 3.4Å; K511-E513 IonicContact NZ-OE1 3.1Å; K511-E513 PolarHBondContact NZ-OE1 2.99Å; K511-E513 IonicContact NZ-OE2 2.85Å; K511-K532 VanDerWaalsContact CA-O 3.27Å; K511-K532 WeakPolarHBondContact CA-O 3.28Å; K511-K532 HydrophobicContact CG-CB 4.44Å |
| 512 | G | 66.4 | Low | 72.3 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 157.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G492 K532 G533 E534 | G492-G512 CarbonylContact O-C 3.58Å; G492-G512 WeakPolarHBondContact O-CA 2.97Å; G512-K532 PolarHBondContact N-O 2.98Å; G512-K532 VanDerWaalsContact N-O 3.12Å; G512-G533 WeakPolarHBondContact O-CA 2.96Å; G512-E534 PolarHBondContact O-N 3.46Å |
| 513 | E | 69.9 | Low | 71.8 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 23% | 0.229 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146 | -171.6 | -72.5 | 129.3 | -124.7 | 0 | 0 | 110.1 | G492 E493 G494 K511 E534 | G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.14Å; E493-E513 WeakPolarHBondContact CA-O 2.94Å; E493-E513 HydrophobicContact CG-CB 4.3Å; G494-E513 PolarHBondContact N-O 3.02Å; K511-E513 WeakPolarHBondContact CE-OE1 3.4Å; K511-E513 IonicContact NZ-OE1 3.1Å; K511-E513 PolarHBondContact NZ-OE1 2.99Å; K511-E513 IonicContact NZ-OE2 2.85Å; E513-E534 HydrophobicContact CG-CB 4.2Å |
| 514 | G | 68.8 | Low | 71.2 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71 | 35 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G494 E534 A535 | G494-G514 WeakPolarHBondContact CA-O 3.26Å; G514-E534 PolarHBondContact N-O 3.34Å; G514-A535 VanDerWaalsContact CA-O 3.27Å; G514-A535 WeakPolarHBondContact CA-O 2.94Å; G514-A535 PolarHBondContact N-O 3.13Å |
| 515 | V | 76.8 | Confident | 70.8 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.3 | 176.1 | 179 | 0 | 0 | 0 | 0 | 110.1 | A495 N507 N528 A535 N536 Q537 | A495-V515 CarbonylContact O-C 3.54Å; A495-V515 WeakPolarHBondContact O-CA 3.03Å; N507-V515 HydrophobicContact CB-CG1 3.65Å; N507-V515 VanDerWaalsContact ND2-CG1 3.3Å; N507-V515 WeakPolarHBondContact ND2-CG1 3.29Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.41Å; V515-A535 PolarHBondContact N-O 2.81Å; V515-N536 HydrophobicContact CB-CB 4.32Å; V515-N536 CarbonylContact O-C 3.46Å; V515-N536 WeakPolarHBondContact O-CA 3.48Å; V515-N536 PolarHBondContact O-OD1 2.68Å; V515-Q537 PolarHBondContact O-N 2.62Å |
| 516 | Q | 78.9 | Confident | 70.5 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.4 | 178.7 | -53.8 | -169.2 | 1.6 | 0 | 0 | 114 | A495 Q496 N497 Q537 | A495-Q516 PolarHBondContact O-N 3.43Å; Q496-Q516 CarbonylContact C-O 3.58Å; Q496-Q516 VanDerWaalsContact CA-O 3.25Å; Q496-Q516 WeakPolarHBondContact CA-O 3.29Å; Q496-Q516 HydrophobicContact CG-CB 4.21Å; N497-Q516 PolarHBondContact N-O 3.37Å; Q516-Q537 CarbonylContact C-O 3.58Å; Q516-Q537 VanDerWaalsContact CA-O 3.28Å; Q516-Q537 WeakPolarHBondContact CA-O 3.39Å; Q516-Q537 HydrophobicContact CG-CB 4.27Å |
| 517 | N | 78.7 | Confident | 70.1 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.5 | 165.5 | -53.1 | -71.9 | 0 | 0 | 0 | 109.6 | N497 N507 A526 N528 Q537 N538 Q539 | N497-N517 WeakPolarHBondContact CB-OD1 3.43Å; N497-N517 PolarHBondContact ND2-OD1 2.84Å; N497-N517 CarbonylContact O-C 3.57Å; N497-N517 WeakPolarHBondContact O-CA 3.46Å; N507-N517 PolarHBondContact ND2-ND2 2.96Å; N507-N517 PolarHBondContact ND2-OD1 3.26Å; N517-A526 HydrophobicContact CB-CB 4.49Å; N517-N528 PolarHBondContact ND2-ND2 3.39Å; N517-N528 VanDerWaalsContact ND2-ND2 3.19Å; N517-N528 PolarHBondContact ND2-OD1 2.93Å; N517-Q537 PolarHBondContact N-O 2.93Å; N517-N538 PolarHBondContact ND2-OD1 2.64Å; N517-N538 CarbonylContact O-C 3.41Å; N517-N538 WeakPolarHBondContact O-CA 3.39Å; N517-Q539 PolarHBondContact O-N 2.78Å |
| 518 | Q | 76.6 | Confident | 69.7 | Low | 57 Ų | 57 | 45 Ų | 45 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.1 | -178.2 | -54.5 | -173.5 | 13.3 | 0 | 0 | 111.4 | N497 Q498 A499 Q539 | N497-Q518 PolarHBondContact O-N 3.08Å; Q498-Q518 CarbonylContact C-O 3.52Å; Q498-Q518 WeakPolarHBondContact CA-O 3.35Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å; A499-Q518 PolarHBondContact N-O 2.97Å; Q518-Q539 CarbonylContact C-O 3.57Å; Q518-Q539 WeakPolarHBondContact CA-O 3.36Å; Q518-Q539 HydrophobicContact CB-CB 4.5Å; Q518-Q539 HydrophobicContact CG-CB 4.24Å; Q518-Q539 HydrophobicContact CG-CG 4.47Å |
| 519 | A | 70.9 | Confident | 69.4 | Low | 11 Ų | 11 | 44.9 Ų | 44.9 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 157.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | A499 G522 V523 Q539 K541 | A499-A519 HydrophobicContact CB-CB 4.04Å; A499-A519 VanDerWaalsContact O-CA 3.29Å; A499-A519 WeakPolarHBondContact O-CA 3.09Å; A519-G522 VanDerWaalsContact CB-O 3.25Å; A519-G522 WeakPolarHBondContact CB-O 3.36Å; A519-V523 HydrophobicContact CB-CG2 3.49Å; A519-V523 VanDerWaalsContact CB-CG2 3.49Å; A519-Q539 PolarHBondContact N-O 2.82Å; A519-K541 PolarHBondContact O-N 2.86Å |
| 520 | K | 66.2 | Low | 68.8 | Low | 122 Ų | 122 | 45 Ų | 45 | 53% | 0.53 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -94.8 | -17.3 | -175.6 | -56.7 | -167.6 | -174.9 | -168.6 | 0 | 114 | A499 K500 | A499-K520 PolarHBondContact O-N 2.83Å; K500-K520 CarbonylContact O-C 3.53Å |
| 521 | K | 63.6 | Low | 68.4 | Low | 151 Ų | 151 | 45.2 Ų | 45.2 | 66% | 0.657 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -158.5 | 123.6 | 170.3 | -66.1 | -172 | 179.2 | -174.4 | 0 | 109.1 | K500 K501 | K500-K521 PolarHBondContact O-N 2.98Å; K501-K521 VanDerWaalsContact CA-O 3.25Å; K501-K521 WeakPolarHBondContact CA-O 3.41Å; K501-K521 VanDerWaalsContact CG-O 3.29Å; K501-K521 WeakPolarHBondContact CG-O 3.36Å |
| 522 | G | 53.5 | Low | 68 | Low | 8 Ų | 8 | 45.8 Ų | 45.8 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | 74.5 | 125.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G502 A519 E524 K542 | G502-G522 CarbonylContact O-C 3.53Å; A519-G522 VanDerWaalsContact CB-O 3.25Å; A519-G522 WeakPolarHBondContact CB-O 3.36Å; G522-E524 WeakPolarHBondContact CA-OE1 3.22Å; G522-K542 PolarHBondContact N-O 2.81Å | ||
| 523 | V | 52.8 | Low | 67.6 | Low | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | trans | -138.8 | 34.2 | 163.3 | -173 | 0 | 0 | 0 | 0 | 107.2 | A519 G525 A526 A540 | A519-V523 HydrophobicContact CB-CG2 3.49Å; A519-V523 VanDerWaalsContact CB-CG2 3.49Å; V523-G525 PolarHBondContact O-N 3.24Å; V523-A526 HydrophobicContact CG1-CB 3.44Å; V523-A526 VanDerWaalsContact CG1-CB 3.44Å; V523-A526 PolarHBondContact O-N 3.03Å; V523-A540 HydrophobicContact CB-CB 4.09Å; V523-A540 HydrophobicContact CG2-CB 3.55Å | ||
| 524 | E | 55.7 | Low | 67.1 | Low | 74 Ų | 74 | 46.9 Ų | 46.9 | 35% | 0.346 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 129.9 | 175.8 | -72.3 | 113.3 | -109.9 | 0 | 0 | 109.2 | E503 G504 G522 A526 E544 | E503-E524 WeakPolarHBondContact CA-O 3.36Å; E503-E524 HydrophobicContact CG-CB 4.08Å; G504-E524 PolarHBondContact N-O 3.46Å; G522-E524 WeakPolarHBondContact CA-OE1 3.22Å; E524-A526 PolarHBondContact O-N 3.1Å; E524-E544 HydrophobicContact CG-CB 4.32Å; E524-E544 HydrophobicContact CG-CG 4.17Å |
| 525 | G | 59.7 | Low | 66.7 | Low | 38 Ų | 38 | 47.6 Ų | 47.6 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 24.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G504 V523 Q527 | G504-G525 WeakPolarHBondContact CA-O 3.26Å; V523-G525 PolarHBondContact O-N 3.24Å; G525-Q527 PolarHBondContact O-N 3.36Å |
| 526 | A | 71.2 | Confident | 66.3 | Low | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | trans | -67.6 | 126.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A505 N517 V523 E524 G546 Q547 | A505-A526 HydrophobicContact CB-CB 4.41Å; A505-A526 CarbonylContact O-C 3.58Å; A505-A526 WeakPolarHBondContact O-CA 3.26Å; N517-A526 HydrophobicContact CB-CB 4.49Å; V523-A526 HydrophobicContact CG1-CB 3.44Å; V523-A526 VanDerWaalsContact CG1-CB 3.44Å; V523-A526 PolarHBondContact O-N 3.03Å; E524-A526 PolarHBondContact O-N 3.1Å; A526-G546 CarbonylContact O-C 3.5Å; A526-G546 WeakPolarHBondContact O-CA 3.26Å; A526-Q547 PolarHBondContact O-N 2.92Å | ||
| 527 | Q | 73.3 | Confident | 66 | Low | 47 Ų | 47 | 47.5 Ų | 47.5 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 122.8 | -174.9 | -62.5 | 179.7 | -44.9 | 0 | 0 | 111.5 | A505 Q506 N507 G525 Q547 | A505-Q527 PolarHBondContact O-N 3.3Å; Q506-Q527 CarbonylContact C-O 3.55Å; Q506-Q527 VanDerWaalsContact CA-O 3.27Å; Q506-Q527 WeakPolarHBondContact CA-O 3.26Å; Q506-Q527 HydrophobicContact CG-CB 4.28Å; N507-Q527 PolarHBondContact N-O 3.31Å; G525-Q527 PolarHBondContact O-N 3.36Å; Q527-Q547 WeakPolarHBondContact CA-O 3.26Å; Q527-Q547 HydrophobicContact CG-CB 4.31Å |
| 528 | N | 75.4 | Confident | 65.7 | Low | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122 | 177.4 | -48.5 | -80.4 | 0 | 0 | 0 | 110.3 | N507 V515 N517 N536 N538 Q547 N548 Q549 | N507-N528 PolarHBondContact ND2-OD1 3.36Å; N507-N528 CarbonylContact O-C 3.56Å; N507-N528 VanDerWaalsContact O-CA 3.29Å; N507-N528 WeakPolarHBondContact O-CA 3.27Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.41Å; N517-N528 PolarHBondContact ND2-ND2 3.39Å; N517-N528 VanDerWaalsContact ND2-ND2 3.19Å; N517-N528 PolarHBondContact ND2-OD1 2.93Å; N528-N536 VanDerWaalsContact CB-ND2 3.3Å; N528-N536 WeakPolarHBondContact CB-ND2 3.4Å; N528-N536 PolarHBondContact ND2-ND2 2.69Å; N528-N538 PolarHBondContact ND2-OD1 3.35Å; N528-Q547 PolarHBondContact N-O 2.88Å; N528-N548 WeakPolarHBondContact CB-OD1 3.29Å; N528-N548 PolarHBondContact ND2-OD1 3.35Å; N528-N548 CarbonylContact O-C 3.52Å; N528-N548 WeakPolarHBondContact O-CA 3.34Å; N528-Q549 PolarHBondContact O-N 3.36Å |
| 529 | Q | 73.1 | Confident | 65.4 | Low | 66 Ų | 66 | 47.8 Ų | 47.8 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139 | -173 | -59 | -176.6 | 0.3 | 0 | 0 | 112.5 | N507 Q508 A509 Q549 | N507-Q529 PolarHBondContact O-N 3.22Å; Q508-Q529 CarbonylContact C-O 3.54Å; Q508-Q529 WeakPolarHBondContact CA-O 3.25Å; Q508-Q529 HydrophobicContact CG-CB 4.29Å; A509-Q529 PolarHBondContact N-O 2.93Å; Q529-Q549 CarbonylContact C-O 3.54Å; Q529-Q549 VanDerWaalsContact CA-O 3.3Å; Q529-Q549 WeakPolarHBondContact CA-O 3.24Å; Q529-Q549 HydrophobicContact CG-CB 4.38Å |
| 530 | G | 66.3 | Low | 65.1 | Low | 18 Ų | 18 | 47.8 Ų | 47.8 | 19% | 0.186 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A509 Q549 K551 | A509-G530 WeakPolarHBondContact O-CA 3.29Å; G530-Q549 PolarHBondContact N-O 3.1Å; G530-K551 PolarHBondContact O-N 2.96Å |
| 531 | K | 65.1 | Low | 64.9 | Low | 120 Ų | 120 | 47.9 Ų | 47.9 | 52% | 0.522 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -40.9 | 172.6 | -61.9 | -170.8 | 175.6 | -170.1 | 0 | 112.7 | K510 K551 K552 | K510-K531 WeakPolarHBondContact O-CA 3.25Å; K510-K531 VanDerWaalsContact O-CB 3.3Å; K510-K531 WeakPolarHBondContact O-CB 3.01Å; K510-K531 PolarHBondContact O-N 3.01Å; K510-K531 VanDerWaalsContact O-N 3.08Å; K531-K551 HydrophobicContact CG-CD 4.41Å; K531-K552 PolarHBondContact O-N 3.08Å; K531-K552 VanDerWaalsContact O-N 3.12Å |
| 532 | K | 65.1 | Low | 64.6 | Low | 86 Ų | 86 | 47.6 Ų | 47.6 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136.5 | 165.8 | -164.1 | -160.8 | -174.9 | -134.1 | 0 | 109.6 | K510 K511 G512 E534 K552 | K510-K532 PolarHBondContact O-N 2.86Å; K511-K532 VanDerWaalsContact CA-O 3.27Å; K511-K532 WeakPolarHBondContact CA-O 3.28Å; K511-K532 HydrophobicContact CG-CB 4.44Å; G512-K532 PolarHBondContact N-O 2.98Å; G512-K532 VanDerWaalsContact N-O 3.12Å; K532-E534 VanDerWaalsContact CE-OE1 3.31Å; K532-E534 WeakPolarHBondContact CE-OE1 3.33Å; K532-E534 IonicContact NZ-OE1 2.69Å; K532-E534 PolarHBondContact NZ-OE1 2.92Å; K532-K552 WeakPolarHBondContact CA-O 3.39Å |
| 533 | G | 58.7 | Low | 64.6 | Low | 11 Ų | 11 | 47.4 Ų | 47.4 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 163 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G512 G553 E554 | G512-G533 WeakPolarHBondContact O-CA 2.96Å; G533-G553 WeakPolarHBondContact O-CA 3.29Å; G533-E554 PolarHBondContact O-N 3.24Å |
| 534 | E | 59.1 | Low | 64.7 | Low | 67 Ų | 67 | 52 Ų | 52 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.6 | -176.1 | -74.2 | 133.4 | -129.3 | 0 | 0 | 108.6 | G512 E513 G514 K532 E554 | G512-E534 PolarHBondContact O-N 3.46Å; E513-E534 HydrophobicContact CG-CB 4.2Å; G514-E534 PolarHBondContact N-O 3.34Å; K532-E534 VanDerWaalsContact CE-OE1 3.31Å; K532-E534 WeakPolarHBondContact CE-OE1 3.33Å; K532-E534 IonicContact NZ-OE1 2.69Å; K532-E534 PolarHBondContact NZ-OE1 2.92Å; E534-E554 HydrophobicContact CG-CG 4.17Å |
| 535 | A | 60.5 | Low | 64.7 | Low | 42 Ų | 42 | 49.5 Ų | 49.5 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.9 | 82.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117 | G514 V515 E554 | G514-A535 VanDerWaalsContact CA-O 3.27Å; G514-A535 WeakPolarHBondContact CA-O 2.94Å; G514-A535 PolarHBondContact N-O 3.13Å; V515-A535 PolarHBondContact N-O 2.81Å; A535-E554 PolarHBondContact N-OE2 3.31Å |
| 536 | N | 68.2 | Low | 64.7 | Low | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.8 | 167.9 | 173 | 27.7 | 0 | 0 | 0 | 110.6 | V515 N528 N548 P556 Q557 | V515-N536 HydrophobicContact CB-CB 4.32Å; V515-N536 CarbonylContact O-C 3.46Å; V515-N536 WeakPolarHBondContact O-CA 3.48Å; V515-N536 PolarHBondContact O-OD1 2.68Å; N528-N536 VanDerWaalsContact CB-ND2 3.3Å; N528-N536 WeakPolarHBondContact CB-ND2 3.4Å; N528-N536 PolarHBondContact ND2-ND2 2.69Å; N536-N548 PolarHBondContact ND2-OD1 2.64Å; N536-P556 HydrophobicContact CB-CB 4.18Å; N536-P556 CarbonylContact O-C 3.53Å; N536-P556 WeakPolarHBondContact O-CA 3.4Å; N536-P556 VanDerWaalsContact O-CB 3.26Å; N536-P556 WeakPolarHBondContact O-CB 3.4Å; N536-Q557 PolarHBondContact O-N 2.84Å |
| 537 | Q | 72.2 | Confident | 64.3 | Low | 42 Ų | 42 | 51 Ų | 51 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.9 | -175.2 | -59 | -168.4 | -11.6 | 0 | 0 | 113.5 | V515 Q516 N517 Q557 | V515-Q537 PolarHBondContact O-N 2.62Å; Q516-Q537 CarbonylContact C-O 3.58Å; Q516-Q537 VanDerWaalsContact CA-O 3.28Å; Q516-Q537 WeakPolarHBondContact CA-O 3.39Å; Q516-Q537 HydrophobicContact CG-CB 4.27Å; N517-Q537 PolarHBondContact N-O 2.93Å; Q537-Q557 VanDerWaalsContact CA-O 3.3Å; Q537-Q557 WeakPolarHBondContact CA-O 2.78Å; Q537-Q557 HydrophobicContact CG-CB 4.34Å |
| 538 | N | 72.9 | Confident | 63.9 | Low | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.9 | 169.4 | -50.6 | -70.3 | 0 | 0 | 0 | 110.2 | N517 N528 Q557 N558 Q559 | N517-N538 PolarHBondContact ND2-OD1 2.64Å; N517-N538 CarbonylContact O-C 3.41Å; N517-N538 WeakPolarHBondContact O-CA 3.39Å; N528-N538 PolarHBondContact ND2-OD1 3.35Å; N538-Q557 PolarHBondContact N-O 3.37Å; N538-Q557 VanDerWaalsContact N-O 3.08Å; N538-N558 WeakPolarHBondContact CB-OD1 3.36Å; N538-N558 PolarHBondContact ND2-OD1 3.25Å; N538-N558 VanDerWaalsContact O-CA 3.29Å; N538-N558 WeakPolarHBondContact O-CA 3.39Å; N538-Q559 PolarHBondContact O-N 3.24Å |
| 539 | Q | 70 | Confident | 63.3 | Low | 58 Ų | 58 | 51.6 Ų | 51.6 | 27% | 0.271 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.5 | -178.3 | -56.4 | -170 | 12.5 | 0 | 0 | 111.1 | N517 Q518 A519 Q559 | N517-Q539 PolarHBondContact O-N 2.78Å; Q518-Q539 CarbonylContact C-O 3.57Å; Q518-Q539 WeakPolarHBondContact CA-O 3.36Å; Q518-Q539 HydrophobicContact CB-CB 4.5Å; Q518-Q539 HydrophobicContact CG-CB 4.24Å; Q518-Q539 HydrophobicContact CG-CG 4.47Å; A519-Q539 PolarHBondContact N-O 2.82Å; Q539-Q559 CarbonylContact C-O 3.45Å; Q539-Q559 WeakPolarHBondContact CA-O 3.49Å; Q539-Q559 HydrophobicContact CG-CB 4.35Å |
| 540 | A | 65.1 | Low | 62.7 | Low | 12 Ų | 12 | 49.4 Ų | 49.4 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 115.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V523 K542 Q559 G560 | V523-A540 HydrophobicContact CB-CB 4.09Å; V523-A540 HydrophobicContact CG2-CB 3.55Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 2.86Å; A540-Q559 PolarHBondContact N-O 2.87Å; A540-G560 WeakPolarHBondContact O-CA 3.35Å |
| 541 | K | 61.4 | Low | 62.3 | Low | 123 Ų | 123 | 54.3 Ų | 54.3 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -68.8 | -25.1 | 178.2 | -67.6 | -166.9 | 178.1 | -167.9 | 0 | 113.7 | A519 K561 | A519-K541 PolarHBondContact O-N 2.86Å; K541-K561 WeakPolarHBondContact O-CB 3.48Å |
| 542 | K | 58 | Low | 62 | Low | 145 Ų | 145 | 54.3 Ų | 54.3 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -163.4 | 129.3 | 168.3 | -177.1 | -165.1 | 178 | -165.6 | 0 | 106.9 | G522 A540 | G522-K542 PolarHBondContact N-O 2.81Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 2.86Å |
| 543 | G | 53.8 | Low | 61.7 | Low | 5 Ų | 5 | 50.6 Ų | 50.6 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | 160.1 | 172.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 544 | E | 54.3 | Low | 61.7 | Low | 104 Ų | 104 | 55 Ų | 55 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 160.2 | 172.5 | -64 | 177.9 | -174.9 | 0 | 0 | 112 | E524 | E524-E544 HydrophobicContact CG-CB 4.32Å; E524-E544 HydrophobicContact CG-CG 4.17Å |
| 545 | G | 55.7 | Low | 61.7 | Low | 21 Ų | 21 | 52.2 Ų | 52.2 | 22% | 0.216 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 137 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E564 | G545-E564 VanDerWaalsContact CA-O 3.24Å; G545-E564 WeakPolarHBondContact CA-O 3.4Å; G545-E564 PolarHBondContact N-O 3.34Å |
| 546 | G | 59.2 | Low | 61.9 | Low | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 138.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A526 N548 A566 | A526-G546 CarbonylContact O-C 3.5Å; A526-G546 WeakPolarHBondContact O-CA 3.26Å; G546-N548 PolarHBondContact O-ND2 2.99Å; G546-A566 VanDerWaalsContact O-CB 3.31Å; G546-A566 WeakPolarHBondContact O-CB 3.43Å |
| 547 | Q | 63.3 | Low | 61.7 | Low | 69 Ų | 69 | 52.1 Ų | 52.1 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 138.6 | 174.6 | -61.5 | 174 | -14.5 | 0 | 0 | 110.1 | A526 Q527 N528 | A526-Q547 PolarHBondContact O-N 2.92Å; Q527-Q547 WeakPolarHBondContact CA-O 3.26Å; Q527-Q547 HydrophobicContact CG-CB 4.31Å; N528-Q547 PolarHBondContact N-O 2.88Å |
| 548 | N | 65 | Low | 61.4 | Low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 126.2 | -176.4 | -55.2 | -73.9 | 0 | 0 | 0 | 111 | N528 N536 G546 P556 Q567 K568 | N528-N548 WeakPolarHBondContact CB-OD1 3.29Å; N528-N548 PolarHBondContact ND2-OD1 3.35Å; N528-N548 CarbonylContact O-C 3.52Å; N528-N548 WeakPolarHBondContact O-CA 3.34Å; N536-N548 PolarHBondContact ND2-OD1 2.64Å; G546-N548 PolarHBondContact O-ND2 2.99Å; N548-P556 HydrophobicContact CB-CG 4.04Å; N548-Q567 PolarHBondContact N-O 2.99Å; N548-K568 WeakPolarHBondContact O-CA 3.2Å; N548-K568 WeakPolarHBondContact O-CG 3.31Å |
| 549 | Q | 63.2 | Low | 61 | Low | 66 Ų | 66 | 54.1 Ų | 54.1 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 116 | -175.9 | -61.4 | 177.2 | -1.4 | 0 | 0 | 109.8 | N528 Q529 G530 | N528-Q549 PolarHBondContact O-N 3.36Å; Q529-Q549 CarbonylContact C-O 3.54Å; Q529-Q549 VanDerWaalsContact CA-O 3.3Å; Q529-Q549 WeakPolarHBondContact CA-O 3.24Å; Q529-Q549 HydrophobicContact CG-CB 4.38Å; G530-Q549 PolarHBondContact N-O 3.1Å |
| 550 | T | 59.2 | Low | 60.5 | Low | 20 Ų | 20 | 52.4 Ų | 52.4 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 94.6 | -163.1 | 40.3 | 0 | 0 | 0 | 0 | 111.6 | K552 D570 | T550-K552 PolarHBondContact O-N 2.85Å; T550-D570 PolarHBondContact N-OD1 2.83Å; T550-D570 PolarHBondContact N-OD2 3.38Å; T550-D570 PolarHBondContact OG1-OD2 2.84Å |
| 551 | K | 59.3 | Low | 60.1 | Low | 121 Ų | 121 | 57.6 Ų | 57.6 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | -26.1 | -166.4 | -56.5 | -161.2 | -178.6 | -155.6 | 0 | 115.4 | G530 K531 D570 | G530-K551 PolarHBondContact O-N 2.96Å; K531-K551 HydrophobicContact CG-CD 4.41Å; K551-D570 VanDerWaalsContact CA-OD1 3.32Å; K551-D570 WeakPolarHBondContact CA-OD1 3.36Å; K551-D570 PolarHBondContact N-OD1 2.88Å; K551-D570 VanDerWaalsContact N-OD1 3.13Å |
| 552 | K | 58.2 | Low | 59.8 | Low | 120 Ų | 120 | 55.3 Ų | 55.3 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 128.7 | 162 | 177.8 | -179.2 | 176.9 | -179 | 0 | 108.6 | K531 K532 T550 | K531-K552 PolarHBondContact O-N 3.08Å; K531-K552 VanDerWaalsContact O-N 3.12Å; K532-K552 WeakPolarHBondContact CA-O 3.39Å; T550-K552 PolarHBondContact O-N 2.85Å |
| 553 | G | 58.4 | Low | 59.4 | Low | 7 Ų | 7 | 49.4 Ų | 49.4 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G533 E574 | G533-G553 WeakPolarHBondContact O-CA 3.29Å; G553-E574 PolarHBondContact O-N 2.65Å |
| 554 | E | 59.5 | Low | 59.3 | Low | 104 Ų | 104 | 52.1 Ų | 52.1 | 49% | 0.486 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -67 | 156.2 | 167.5 | -64.1 | -176.2 | 140.4 | 0 | 0 | 111.2 | G533 E534 A535 | G533-E554 PolarHBondContact O-N 3.24Å; E534-E554 HydrophobicContact CG-CG 4.17Å; A535-E554 PolarHBondContact N-OE2 3.31Å |
| 555 | G | 57.9 | Low | 59.1 | Low | 8 Ų | 8 | 49.7 Ų | 49.7 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 146 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | E574 G575 | G555-E574 PolarHBondContact N-O 2.94Å; G555-G575 VanDerWaalsContact CA-O 3.26Å; G555-G575 WeakPolarHBondContact CA-O 3.4Å; G555-G575 PolarHBondContact N-O 2.92Å; G555-G575 VanDerWaalsContact N-O 3.13Å |
| 556 | P | 64.5 | Low | 59.2 | Low | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 150.6 | 167.7 | 26.2 | -36.1 | 0 | 0 | 0 | 112.4 | N536 N548 K568 Q577 | N536-P556 HydrophobicContact CB-CB 4.18Å; N536-P556 CarbonylContact O-C 3.53Å; N536-P556 WeakPolarHBondContact O-CA 3.4Å; N536-P556 VanDerWaalsContact O-CB 3.26Å; N536-P556 WeakPolarHBondContact O-CB 3.4Å; N548-P556 HydrophobicContact CB-CG 4.04Å; P556-K568 VanDerWaalsContact CD-CE 3.47Å; P556-Q577 PolarHBondContact O-N 3.43Å |
| 557 | Q | 63.8 | Low | 59.2 | Low | 56 Ų | 56 | 53.7 Ų | 53.7 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.9 | 167.7 | -58 | 179.4 | -50.9 | 0 | 0 | 109.1 | N536 Q537 N538 Q577 | N536-Q557 PolarHBondContact O-N 2.84Å; Q537-Q557 VanDerWaalsContact CA-O 3.3Å; Q537-Q557 WeakPolarHBondContact CA-O 2.78Å; Q537-Q557 HydrophobicContact CG-CB 4.34Å; N538-Q557 PolarHBondContact N-O 3.37Å; N538-Q557 VanDerWaalsContact N-O 3.08Å; Q557-Q577 CarbonylContact C-O 3.49Å; Q557-Q577 VanDerWaalsContact CA-O 3.27Å; Q557-Q577 WeakPolarHBondContact CA-O 3.39Å; Q557-Q577 HydrophobicContact CG-CB 4.29Å |
| 558 | N | 66.8 | Low | 59 | Low | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.102 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.4 | 175 | -51.2 | -61.9 | 0 | 0 | 0 | 110.2 | N538 Q577 N578 Q579 | N538-N558 WeakPolarHBondContact CB-OD1 3.36Å; N538-N558 PolarHBondContact ND2-OD1 3.25Å; N538-N558 VanDerWaalsContact O-CA 3.29Å; N538-N558 WeakPolarHBondContact O-CA 3.39Å; N558-Q577 PolarHBondContact N-O 3.43Å; N558-N578 WeakPolarHBondContact CB-OD1 3.35Å; N558-N578 PolarHBondContact ND2-OD1 2.64Å; N558-N578 WeakPolarHBondContact O-CA 3.34Å; N558-Q579 PolarHBondContact O-N 2.96Å |
| 559 | Q | 63.4 | Low | 58.7 | Low | 73 Ų | 73 | 55.4 Ų | 55.4 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.9 | -179.4 | -61.1 | -170.9 | -0.7 | 0 | 0 | 111.6 | N538 Q539 A540 Q579 | N538-Q559 PolarHBondContact O-N 3.24Å; Q539-Q559 CarbonylContact C-O 3.45Å; Q539-Q559 WeakPolarHBondContact CA-O 3.49Å; Q539-Q559 HydrophobicContact CG-CB 4.35Å; A540-Q559 PolarHBondContact N-O 2.87Å; Q559-Q579 WeakPolarHBondContact CA-O 3.4Å; Q559-Q579 HydrophobicContact CG-CB 4.43Å |
| 560 | G | 60 | Low | 58.4 | Low | 21 Ų | 21 | 53.1 Ų | 53.1 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 170.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | A540 Q579 G580 K581 | A540-G560 WeakPolarHBondContact O-CA 3.35Å; G560-Q579 PolarHBondContact N-O 2.86Å; G560-G580 WeakPolarHBondContact O-CA 3.37Å; G560-K581 PolarHBondContact O-N 2.85Å |
| 561 | K | 56.8 | Low | 58.5 | Low | 121 Ų | 121 | 58.6 Ų | 58.6 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -43.8 | 174.5 | -61.5 | -175.9 | 174.9 | -178 | 0 | 111.8 | K541 K581 K582 | K541-K561 WeakPolarHBondContact O-CB 3.48Å; K561-K581 WeakPolarHBondContact O-CB 3.43Å; K561-K582 PolarHBondContact O-N 2.9Å; K561-K582 VanDerWaalsContact O-N 3.07Å |
| 562 | K | 54.7 | Low | 58.4 | Low | 75 Ų | 75 | 56.6 Ų | 56.6 | 33% | 0.326 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.8 | 159.1 | -166.7 | -154.4 | 177.4 | -157 | 0 | 105.2 | E564 E584 | K562-E564 HydrophobicContact CD-CG 4.49Å; K562-E564 WeakPolarHBondContact CE-OE1 3.44Å; K562-E564 IonicContact NZ-OE1 3.79Å; K562-E564 PolarHBondContact NZ-OE1 3.2Å; K562-E564 IonicContact NZ-OE2 2.88Å; K562-E564 PolarHBondContact NZ-OE2 3.48Å; K562-E584 VanDerWaalsContact CE-OE1 3.28Å; K562-E584 WeakPolarHBondContact CE-OE1 3.2Å |
| 563 | G | 50 | Low | 58.4 | Low | 21 Ų | 21 | 51 Ų | 51 | 22% | 0.216 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 124.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | K582 E584 | G563-K582 PolarHBondContact N-O 3.35Å; G563-E584 PolarHBondContact O-N 3.42Å |
| 564 | E | 51.9 | Low | 58.4 | Low | 63 Ų | 63 | 53.7 Ų | 53.7 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | trans | -94.6 | 170.2 | -166.5 | -45 | -170.6 | -161.7 | 0 | 0 | 110.9 | G545 K562 A566 E584 | G545-E564 VanDerWaalsContact CA-O 3.24Å; G545-E564 WeakPolarHBondContact CA-O 3.4Å; G545-E564 PolarHBondContact N-O 3.34Å; K562-E564 HydrophobicContact CD-CG 4.49Å; K562-E564 WeakPolarHBondContact CE-OE1 3.44Å; K562-E564 IonicContact NZ-OE1 3.79Å; K562-E564 PolarHBondContact NZ-OE1 3.2Å; K562-E564 IonicContact NZ-OE2 2.88Å; K562-E564 PolarHBondContact NZ-OE2 3.48Å; E564-A566 PolarHBondContact O-N 3Å; E564-E584 VanDerWaalsContact CA-OE2 3.27Å; E564-E584 WeakPolarHBondContact CA-OE2 2.96Å; E564-E584 WeakPolarHBondContact CB-OE2 3.34Å | ||
| 565 | A | 50.6 | Low | 58.5 | Low | 52 Ų | 52 | 50.4 Ų | 50.4 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | trans | -56.1 | 109.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q567 G585 | A565-Q567 PolarHBondContact O-N 3.17Å; A565-G585 WeakPolarHBondContact CA-O 3.2Å; A565-G585 WeakPolarHBondContact CB-O 3.27Å | ||
| 566 | A | 58.2 | Low | 58.8 | Low | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | trans | -66.5 | 128.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | G546 E564 T586 S587 | G546-A566 VanDerWaalsContact O-CB 3.31Å; G546-A566 WeakPolarHBondContact O-CB 3.43Å; E564-A566 PolarHBondContact O-N 3Å; A566-T586 HydrophobicContact CB-CG2 4.43Å; A566-T586 CarbonylContact O-C 3.57Å; A566-T586 VanDerWaalsContact O-CA 3.26Å; A566-T586 WeakPolarHBondContact O-CA 3.41Å; A566-T586 WeakPolarHBondContact O-CG2 3.49Å; A566-S587 PolarHBondContact O-N 2.93Å | ||
| 567 | Q | 57.9 | Low | 58.9 | Low | 105 Ų | 105 | 52.9 Ų | 52.9 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 144.3 | 174.5 | -63.5 | -176.9 | 4.2 | 0 | 0 | 111.9 | N548 A565 | N548-Q567 PolarHBondContact N-O 2.99Å; A565-Q567 PolarHBondContact O-N 3.17Å |
| 568 | K | 60.1 | Low | 59.1 | Low | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.9 | 170.5 | -54.3 | -170.4 | -168.5 | 164.1 | 0 | 112.4 | N548 P556 I573 T586 S587 N588 Q589 | N548-K568 WeakPolarHBondContact O-CA 3.2Å; N548-K568 WeakPolarHBondContact O-CG 3.31Å; P556-K568 VanDerWaalsContact CD-CE 3.47Å; K568-I573 HydrophobicContact CB-CD1 3.9Å; K568-I573 HydrophobicContact CD-CD1 3.73Å; K568-I573 HydrophobicContact CD-CG1 4.24Å; K568-I573 HydrophobicContact CD-CG2 4.26Å; K568-I573 VanDerWaalsContact NZ-CG2 3.31Å; K568-T586 HydrophobicContact CD-CG2 4.14Å; K568-T586 HydrophobicContact CG-CG2 3.89Å; K568-S587 PolarHBondContact N-O 2.96Å; K568-N588 WeakPolarHBondContact CD-OD1 3.41Å; K568-Q589 PolarHBondContact O-N 2.93Å |
| 569 | Q | 58.5 | Low | 59 | Low | 105 Ų | 105 | 53.4 Ų | 53.4 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 95.3 | -178.8 | -69.7 | -175.2 | -24 | 0 | 0 | 111.1 | Q589 | Q569-Q589 CarbonylContact C-O 3.47Å; Q569-Q589 WeakPolarHBondContact CA-O 3.25Å; Q569-Q589 HydrophobicContact CG-CB 4.31Å |
| 570 | D | 56.8 | Low | 59.1 | Low | 18 Ų | 18 | 51.1 Ų | 51.1 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 173.5 | -163.9 | -81.6 | -53.8 | 0 | 0 | 0 | 117.4 | T550 K551 I573 Q589 G590 K591 | T550-D570 PolarHBondContact N-OD1 2.83Å; T550-D570 PolarHBondContact N-OD2 3.38Å; T550-D570 PolarHBondContact OG1-OD2 2.84Å; K551-D570 VanDerWaalsContact CA-OD1 3.32Å; K551-D570 WeakPolarHBondContact CA-OD1 3.36Å; K551-D570 PolarHBondContact N-OD1 2.88Å; K551-D570 VanDerWaalsContact N-OD1 3.13Å; D570-I573 HydrophobicContact CB-CD1 3.8Å; D570-I573 HydrophobicContact CB-CG1 3.79Å; D570-Q589 PolarHBondContact N-O 3.02Å; D570-G590 WeakPolarHBondContact O-CA 2.99Å; D570-K591 PolarHBondContact O-N 2.89Å |
| 571 | K | 60.8 | Low | 59.2 | Low | 134 Ų | 134 | 55.8 Ų | 55.8 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -48.4 | 178.4 | -70.1 | -173.1 | 178 | -176.6 | 0 | 113.1 | K591 K592 | K571-K591 WeakPolarHBondContact O-CB 3.47Å; K571-K592 PolarHBondContact O-N 2.63Å |
| 572 | K | 58.2 | Low | 59.6 | Low | 80 Ų | 80 | 55 Ų | 55 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 126 | 172.6 | -166.4 | -160.3 | -179.4 | -158.8 | 0 | 108.7 | E574 K592 | K572-E574 VanDerWaalsContact CD-OE1 3.29Å; K572-E574 WeakPolarHBondContact CD-OE1 2.72Å; K572-E574 WeakPolarHBondContact CE-OE1 3.23Å; K572-E574 IonicContact NZ-OE1 2.68Å; K572-E574 PolarHBondContact NZ-OE1 2.83Å; K572-K592 WeakPolarHBondContact CA-O 3.36Å; K572-K592 HydrophobicContact CG-CB 4.1Å; K572-K592 HydrophobicContact CG-CD 4.04Å |
| 573 | I | 58.1 | Low | 60 | Low | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.5 | 172.9 | -68.5 | 154.3 | 0 | 0 | 0 | 107.7 | K568 D570 N588 K592 | K568-I573 HydrophobicContact CB-CD1 3.9Å; K568-I573 HydrophobicContact CD-CD1 3.73Å; K568-I573 HydrophobicContact CD-CG1 4.24Å; K568-I573 HydrophobicContact CD-CG2 4.26Å; K568-I573 VanDerWaalsContact NZ-CG2 3.31Å; D570-I573 HydrophobicContact CB-CD1 3.8Å; D570-I573 HydrophobicContact CB-CG1 3.79Å; I573-N588 HydrophobicContact CD1-CB 4.35Å; I573-K592 PolarHBondContact N-O 2.96Å |
| 574 | E | 58.5 | Low | 60.7 | Low | 64 Ų | 64 | 52.3 Ų | 52.3 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | trans | -99.4 | 155.6 | 161 | -76.6 | 129.4 | -121.5 | 0 | 0 | 110.3 | G553 G555 K572 E594 | G553-E574 PolarHBondContact O-N 2.65Å; G555-E574 PolarHBondContact N-O 2.94Å; K572-E574 VanDerWaalsContact CD-OE1 3.29Å; K572-E574 WeakPolarHBondContact CD-OE1 2.72Å; K572-E574 WeakPolarHBondContact CE-OE1 3.23Å; K572-E574 IonicContact NZ-OE1 2.68Å; K572-E574 PolarHBondContact NZ-OE1 2.83Å; E574-E594 VanDerWaalsContact CA-OE2 3.22Å; E574-E594 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 575 | G | 60.3 | Low | 61.1 | Low | 34 Ų | 34 | 49.7 Ų | 49.7 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | trans | -41.9 | 144.9 | -161.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | G555 E594 | G555-G575 VanDerWaalsContact CA-O 3.26Å; G555-G575 WeakPolarHBondContact CA-O 3.4Å; G555-G575 PolarHBondContact N-O 2.92Å; G555-G575 VanDerWaalsContact N-O 3.13Å; G575-E594 PolarHBondContact N-OE2 2.83Å; G575-E594 VanDerWaalsContact N-OE2 3.09Å | ||
| 576 | A | 65.7 | Low | 61.7 | Low | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 159.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A596 Q597 | A576-A596 HydrophobicContact CB-CB 4.09Å; A576-A596 CarbonylContact O-C 3.55Å; A576-A596 WeakPolarHBondContact O-CA 3.3Å; A576-Q597 PolarHBondContact O-N 3.04Å |
| 577 | Q | 65.8 | Low | 61.9 | Low | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 125.2 | 174 | -61 | -173.7 | -37.4 | 0 | 0 | 111.8 | P556 Q557 N558 Q597 | P556-Q577 PolarHBondContact O-N 3.43Å; Q557-Q577 CarbonylContact C-O 3.49Å; Q557-Q577 VanDerWaalsContact CA-O 3.27Å; Q557-Q577 WeakPolarHBondContact CA-O 3.39Å; Q557-Q577 HydrophobicContact CG-CB 4.29Å; N558-Q577 PolarHBondContact N-O 3.43Å; Q577-Q597 CarbonylContact C-O 3.56Å; Q577-Q597 WeakPolarHBondContact CA-O 2.76Å; Q577-Q597 HydrophobicContact CG-CB 4.31Å |
| 578 | N | 67.8 | Low | 62.1 | Low | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116 | 176.1 | -52.8 | -61.9 | 0 | 0 | 0 | 110.4 | N558 P583 T586 A596 Q597 N598 Q599 | N558-N578 WeakPolarHBondContact CB-OD1 3.35Å; N558-N578 PolarHBondContact ND2-OD1 2.64Å; N558-N578 WeakPolarHBondContact O-CA 3.34Å; N578-P583 HydrophobicContact CB-CB 3.78Å; N578-P583 WeakPolarHBondContact O-CB 3.33Å; N578-T586 PolarHBondContact ND2-OG1 2.88Å; N578-A596 WeakPolarHBondContact ND2-CB 3.5Å; N578-Q597 PolarHBondContact N-O 3.05Å; N578-N598 WeakPolarHBondContact CB-OD1 3.33Å; N578-N598 PolarHBondContact ND2-OD1 3.45Å; N578-N598 CarbonylContact O-C 3.27Å; N578-N598 WeakPolarHBondContact O-CA 3.49Å; N578-Q599 PolarHBondContact O-N 3.44Å |
| 579 | Q | 65.8 | Low | 62.2 | Low | 78 Ų | 78 | 46.8 Ų | 46.8 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.3 | -178 | -62.1 | -175.9 | -5.2 | 0 | 0 | 111.5 | N558 Q559 G560 Q599 | N558-Q579 PolarHBondContact O-N 2.96Å; Q559-Q579 WeakPolarHBondContact CA-O 3.4Å; Q559-Q579 HydrophobicContact CG-CB 4.43Å; G560-Q579 PolarHBondContact N-O 2.86Å; Q579-Q599 WeakPolarHBondContact CA-O 3.46Å; Q579-Q599 HydrophobicContact CG-CB 4.4Å |
| 580 | G | 64.8 | Low | 62.3 | Low | 25 Ų | 25 | 43.1 Ų | 43.1 | 26% | 0.258 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -180 | -170.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | G560 Q599 G600 | G560-G580 WeakPolarHBondContact O-CA 3.37Å; G580-Q599 PolarHBondContact N-O 3Å; G580-G600 WeakPolarHBondContact O-CA 3.36Å |
| 581 | K | 62.9 | Low | 62.6 | Low | 119 Ų | 119 | 48.1 Ų | 48.1 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -44.7 | 165.5 | -65.5 | -172.8 | 175.6 | -171.3 | 0 | 110.4 | G560 K561 K601 K602 | G560-K581 PolarHBondContact O-N 2.85Å; K561-K581 WeakPolarHBondContact O-CB 3.43Å; K581-K601 WeakPolarHBondContact O-CA 3.4Å; K581-K601 WeakPolarHBondContact O-CB 3.36Å; K581-K601 PolarHBondContact O-N 2.84Å; K581-K602 PolarHBondContact O-N 3.33Å; K581-K602 VanDerWaalsContact O-N 3.09Å |
| 582 | K | 64.8 | Low | 62.8 | Low | 104 Ų | 104 | 44 Ų | 44 | 45% | 0.452 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 90.8 | 166.5 | -63.2 | -167.7 | 176.3 | -170.3 | 0 | 109.9 | K561 G563 K602 | K561-K582 PolarHBondContact O-N 2.9Å; K561-K582 VanDerWaalsContact O-N 3.07Å; G563-K582 PolarHBondContact N-O 3.35Å; K582-K602 WeakPolarHBondContact CA-O 3.44Å; K582-K602 HydrophobicContact CG-CB 4.27Å |
| 583 | P | 62.3 | Low | 62.9 | Low | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.045 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.7 | 160.9 | 30.3 | -34.4 | 0 | 0 | 0 | 110.8 | N578 N598 K602 G603 E604 | N578-P583 HydrophobicContact CB-CB 3.78Å; N578-P583 WeakPolarHBondContact O-CB 3.33Å; P583-N598 HydrophobicContact CB-CB 4.37Å; P583-N598 HydrophobicContact CG-CB 4.2Å; P583-K602 VanDerWaalsContact CD-O 3.29Å; P583-K602 WeakPolarHBondContact CD-O 3.34Å; P583-G603 WeakPolarHBondContact O-CA 3.12Å; P583-E604 PolarHBondContact O-N 3.25Å |
| 584 | E | 63.9 | Low | 63.3 | Low | 32 Ų | 32 | 42.1 Ų | 42.1 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -97.6 | 154.9 | 172.4 | -67.1 | 160.3 | -147.3 | 0 | 0 | 110.1 | K562 G563 E564 | K562-E584 VanDerWaalsContact CE-OE1 3.28Å; K562-E584 WeakPolarHBondContact CE-OE1 3.2Å; G563-E584 PolarHBondContact O-N 3.42Å; E564-E584 VanDerWaalsContact CA-OE2 3.27Å; E564-E584 WeakPolarHBondContact CA-OE2 2.96Å; E564-E584 WeakPolarHBondContact CB-OE2 3.34Å |
| 585 | G | 61.2 | Low | 63.5 | Low | 8 Ų | 8 | 39.4 Ų | 39.4 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 145.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114 | A565 E604 | A565-G585 WeakPolarHBondContact CA-O 3.2Å; A565-G585 WeakPolarHBondContact CB-O 3.27Å; G585-E604 WeakPolarHBondContact CA-O 3.4Å; G585-E604 PolarHBondContact N-O 2.82Å |
| 586 | T | 63.7 | Low | 63.9 | Low | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 130.5 | 170.1 | -56 | 0 | 0 | 0 | 0 | 110 | A566 K568 N578 N588 A606 | A566-T586 HydrophobicContact CB-CG2 4.43Å; A566-T586 CarbonylContact O-C 3.57Å; A566-T586 VanDerWaalsContact O-CA 3.26Å; A566-T586 WeakPolarHBondContact O-CA 3.41Å; A566-T586 WeakPolarHBondContact O-CG2 3.49Å; K568-T586 HydrophobicContact CD-CG2 4.14Å; K568-T586 HydrophobicContact CG-CG2 3.89Å; N578-T586 PolarHBondContact ND2-OG1 2.88Å; T586-N588 WeakPolarHBondContact CG2-OD1 3.32Å; T586-A606 WeakPolarHBondContact O-CA 3.48Å; T586-A606 WeakPolarHBondContact O-CB 3.46Å |
| 587 | S | 62.8 | Low | 64 | Low | 22 Ų | 22 | 41.5 Ų | 41.5 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.3 | 171.5 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | A566 K568 Q607 | A566-S587 PolarHBondContact O-N 2.93Å; K568-S587 PolarHBondContact N-O 2.96Å; S587-Q607 CarbonylContact C-O 3.46Å; S587-Q607 WeakPolarHBondContact CA-O 3Å |
| 588 | N | 62 | Low | 64.2 | Low | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.6 | -177.5 | -61.4 | -48.7 | 0 | 0 | 0 | 110.4 | K568 I573 T586 E594 Q607 N608 Q609 | K568-N588 WeakPolarHBondContact CD-OD1 3.41Å; I573-N588 HydrophobicContact CD1-CB 4.35Å; T586-N588 WeakPolarHBondContact CG2-OD1 3.32Å; N588-E594 PolarHBondContact ND2-O 3.02Å; N588-Q607 PolarHBondContact N-O 2.63Å; N588-N608 WeakPolarHBondContact CB-OD1 3.36Å; N588-N608 PolarHBondContact ND2-OD1 3Å; N588-N608 WeakPolarHBondContact O-CA 3.48Å; N588-Q609 PolarHBondContact O-N 2.87Å |
| 589 | Q | 61.6 | Low | 64.1 | Low | 75 Ų | 75 | 41.9 Ų | 41.9 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.4 | 169.3 | -64.7 | 177.6 | -32.9 | 0 | 0 | 109.3 | K568 Q569 D570 Q609 | K568-Q589 PolarHBondContact O-N 2.93Å; Q569-Q589 CarbonylContact C-O 3.47Å; Q569-Q589 WeakPolarHBondContact CA-O 3.25Å; Q569-Q589 HydrophobicContact CG-CB 4.31Å; D570-Q589 PolarHBondContact N-O 3.02Å; Q589-Q609 WeakPolarHBondContact CA-O 3.28Å; Q589-Q609 HydrophobicContact CG-CB 4.4Å; Q589-Q609 VanDerWaalsContact NE2-OE1 3.14Å |
| 590 | G | 61.5 | Low | 64.1 | Low | 28 Ų | 28 | 39.2 Ų | 39.2 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 179 | -171 | -176.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | D570 Q609 G610 | D570-G590 WeakPolarHBondContact O-CA 2.99Å; G590-Q609 PolarHBondContact N-O 3.49Å; G590-G610 WeakPolarHBondContact O-CA 3.32Å |
| 591 | K | 63 | Low | 64.2 | Low | 123 Ų | 123 | 44 Ų | 44 | 54% | 0.535 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -49.8 | 173.4 | -70.6 | -172.7 | -179.9 | -175.3 | 0 | 111.8 | D570 K571 K611 K612 | D570-K591 PolarHBondContact O-N 2.89Å; K571-K591 WeakPolarHBondContact O-CB 3.47Å; K591-K611 WeakPolarHBondContact O-CB 3.28Å; K591-K611 PolarHBondContact O-N 3.07Å; K591-K612 PolarHBondContact O-N 3.01Å |
| 592 | K | 63.2 | Low | 64.5 | Low | 47 Ų | 47 | 40.7 Ų | 40.7 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.2 | 163.7 | -160.6 | -144.1 | -176 | -155.5 | 0 | 109 | K571 K572 I573 E594 K612 E614 | K571-K592 PolarHBondContact O-N 2.63Å; K572-K592 WeakPolarHBondContact CA-O 3.36Å; K572-K592 HydrophobicContact CG-CB 4.1Å; K572-K592 HydrophobicContact CG-CD 4.04Å; I573-K592 PolarHBondContact N-O 2.96Å; K592-E594 IonicContact NZ-OE1 2.77Å; K592-E594 PolarHBondContact NZ-OE1 3.35Å; K592-K612 WeakPolarHBondContact CA-O 3.45Å; K592-K612 HydrophobicContact CG-CB 4.05Å; K592-K612 HydrophobicContact CG-CD 4.2Å; K592-E614 WeakPolarHBondContact CE-OE1 3.42Å; K592-E614 IonicContact NZ-OE1 2.64Å; K592-E614 PolarHBondContact NZ-OE1 3.47Å; K592-E614 IonicContact NZ-OE2 2.65Å |
| 593 | G | 62.3 | Low | 64.4 | Low | 6 Ų | 6 | 35.8 Ų | 35.8 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K612 G613 E614 | G593-K612 PolarHBondContact N-O 2.9Å; G593-K612 VanDerWaalsContact N-O 3.08Å; G593-G613 WeakPolarHBondContact O-CA 3.33Å; G593-E614 PolarHBondContact O-N 2.81Å |
| 594 | E | 65.1 | Low | 64.7 | Low | 37 Ų | 37 | 37.8 Ų | 37.8 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.3 | 171.1 | -74.3 | 163.1 | -142.9 | 0 | 0 | 109.6 | E574 G575 N588 K592 E614 | E574-E594 VanDerWaalsContact CA-OE2 3.22Å; E574-E594 WeakPolarHBondContact CA-OE2 3.44Å; G575-E594 PolarHBondContact N-OE2 2.83Å; G575-E594 VanDerWaalsContact N-OE2 3.09Å; N588-E594 PolarHBondContact ND2-O 3.02Å; K592-E594 IonicContact NZ-OE1 2.77Å; K592-E594 PolarHBondContact NZ-OE1 3.35Å; E594-E614 HydrophobicContact CG-CB 4.41Å |
| 595 | G | 63.9 | Low | 64.8 | Low | 8 Ų | 8 | 37.1 Ų | 37.1 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | trans | -65.1 | 165.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E614 | G595-E614 WeakPolarHBondContact CA-O 3.25Å; G595-E614 PolarHBondContact N-O 3.47Å | ||
| 596 | A | 68.6 | Low | 65.1 | Low | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 144 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A576 N578 N598 A616 Q617 | A576-A596 HydrophobicContact CB-CB 4.09Å; A576-A596 CarbonylContact O-C 3.55Å; A576-A596 WeakPolarHBondContact O-CA 3.3Å; N578-A596 WeakPolarHBondContact ND2-CB 3.5Å; A596-N598 WeakPolarHBondContact CB-OD1 3.49Å; A596-A616 CarbonylContact O-C 3.54Å; A596-A616 VanDerWaalsContact O-CA 3.28Å; A596-A616 WeakPolarHBondContact O-CA 3.41Å; A596-A616 VanDerWaalsContact O-CB 3.25Å; A596-A616 WeakPolarHBondContact O-CB 3.31Å; A596-Q617 PolarHBondContact O-N 3Å |
| 597 | Q | 67.6 | Low | 65.2 | Low | 76 Ų | 76 | 41 Ų | 41 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 113.7 | 159.4 | -61.2 | -174.1 | -43.4 | 0 | 0 | 108.6 | A576 Q577 N578 Q617 | A576-Q597 PolarHBondContact O-N 3.04Å; Q577-Q597 CarbonylContact C-O 3.56Å; Q577-Q597 WeakPolarHBondContact CA-O 2.76Å; Q577-Q597 HydrophobicContact CG-CB 4.31Å; N578-Q597 PolarHBondContact N-O 3.05Å; Q597-Q617 CarbonylContact C-O 3.59Å; Q597-Q617 VanDerWaalsContact CA-O 3.32Å; Q597-Q617 WeakPolarHBondContact CA-O 3.34Å; Q597-Q617 HydrophobicContact CG-CB 4.31Å |
| 598 | N | 68.6 | Low | 65.4 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.6 | -179 | -58.1 | -41.2 | 0 | 0 | 0 | 110.2 | N578 P583 A596 E604 Q617 N618 Q619 | N578-N598 WeakPolarHBondContact CB-OD1 3.33Å; N578-N598 PolarHBondContact ND2-OD1 3.45Å; N578-N598 CarbonylContact O-C 3.27Å; N578-N598 WeakPolarHBondContact O-CA 3.49Å; P583-N598 HydrophobicContact CB-CB 4.37Å; P583-N598 HydrophobicContact CG-CB 4.2Å; A596-N598 WeakPolarHBondContact CB-OD1 3.49Å; N598-E604 PolarHBondContact ND2-O 3.28Å; N598-Q617 PolarHBondContact N-O 2.78Å; N598-N618 WeakPolarHBondContact CB-OD1 3.29Å; N598-N618 PolarHBondContact ND2-OD1 2.9Å; N598-N618 WeakPolarHBondContact O-CA 2.9Å; N598-Q619 PolarHBondContact O-N 2.87Å |
| 599 | Q | 67.3 | Low | 65.5 | Low | 81 Ų | 81 | 43.6 Ų | 43.6 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.9 | 180 | -68.1 | -179.1 | -21.7 | 0 | 0 | 110.8 | N578 Q579 G580 Q619 | N578-Q599 PolarHBondContact O-N 3.44Å; Q579-Q599 WeakPolarHBondContact CA-O 3.46Å; Q579-Q599 HydrophobicContact CG-CB 4.4Å; G580-Q599 PolarHBondContact N-O 3Å; Q599-Q619 WeakPolarHBondContact CA-O 3.38Å; Q599-Q619 HydrophobicContact CG-CB 4.34Å |
| 600 | G | 65.6 | Low | 65.6 | Low | 21 Ų | 21 | 41.3 Ų | 41.3 | 22% | 0.216 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | -161.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | G580 Q619 G620 | G580-G600 WeakPolarHBondContact O-CA 3.36Å; G600-Q619 PolarHBondContact N-O 3.42Å; G600-G620 WeakPolarHBondContact O-CA 3.16Å |
| 601 | K | 66.8 | Low | 65.9 | Low | 125 Ų | 125 | 45.7 Ų | 45.7 | 54% | 0.543 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -41.1 | 176.8 | -65 | -168.7 | 178 | -172.9 | 0 | 112 | K581 K621 K622 | K581-K601 WeakPolarHBondContact O-CA 3.4Å; K581-K601 WeakPolarHBondContact O-CB 3.36Å; K581-K601 PolarHBondContact O-N 2.84Å; K601-K621 WeakPolarHBondContact O-CA 3.34Å; K601-K621 WeakPolarHBondContact O-CB 3.31Å; K601-K621 PolarHBondContact O-N 2.93Å; K601-K622 PolarHBondContact O-N 2.83Å |
| 602 | K | 68 | Low | 66.1 | Low | 51 Ų | 51 | 42.6 Ų | 42.6 | 22% | 0.222 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.9 | 163.7 | -168.3 | -154.7 | -173.6 | -140.5 | 0 | 107.3 | K581 K582 P583 E604 K622 E624 | K581-K602 PolarHBondContact O-N 3.33Å; K581-K602 VanDerWaalsContact O-N 3.09Å; K582-K602 WeakPolarHBondContact CA-O 3.44Å; K582-K602 HydrophobicContact CG-CB 4.27Å; P583-K602 VanDerWaalsContact CD-O 3.29Å; P583-K602 WeakPolarHBondContact CD-O 3.34Å; K602-E604 HydrophobicContact CD-CG 4.37Å; K602-E604 WeakPolarHBondContact CD-OE1 3.34Å; K602-E604 WeakPolarHBondContact CE-OE1 3.27Å; K602-E604 IonicContact NZ-OE1 2.73Å; K602-E604 PolarHBondContact NZ-OE1 3.06Å; K602-E604 IonicContact NZ-OE2 3.29Å; K602-K622 CarbonylContact C-O 3.55Å; K602-K622 WeakPolarHBondContact CA-O 2.99Å; K602-K622 HydrophobicContact CG-CB 4.11Å; K602-K622 HydrophobicContact CG-CD 4.25Å; K602-K622 HydrophobicContact CG-CG 4.33Å; K602-E624 VanDerWaalsContact CE-CD 3.45Å; K602-E624 WeakPolarHBondContact CE-OE1 3.27Å; K602-E624 IonicContact NZ-OE1 2.65Å; K602-E624 PolarHBondContact NZ-OE1 2.82Å; K602-E624 IonicContact NZ-OE2 2.59Å; K602-E624 PolarHBondContact NZ-OE2 3.23Å |
| 603 | G | 64.3 | Low | 66.2 | Low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P583 K622 G623 E624 | P583-G603 WeakPolarHBondContact O-CA 3.12Å; G603-K622 PolarHBondContact N-O 3.27Å; G603-G623 CarbonylContact O-C 3.58Å; G603-G623 WeakPolarHBondContact O-CA 3.44Å; G603-E624 PolarHBondContact O-N 3.43Å |
| 604 | E | 68.3 | Low | 66.5 | Low | 50 Ų | 50 | 42.2 Ų | 42.2 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136.4 | 179.8 | -57.2 | 175.2 | -153.2 | 0 | 0 | 109.8 | P583 G585 N598 K602 | P583-E604 PolarHBondContact O-N 3.25Å; G585-E604 WeakPolarHBondContact CA-O 3.4Å; G585-E604 PolarHBondContact N-O 2.82Å; N598-E604 PolarHBondContact ND2-O 3.28Å; K602-E604 HydrophobicContact CD-CG 4.37Å; K602-E604 WeakPolarHBondContact CD-OE1 3.34Å; K602-E604 WeakPolarHBondContact CE-OE1 3.27Å; K602-E604 IonicContact NZ-OE1 2.73Å; K602-E604 PolarHBondContact NZ-OE1 3.06Å; K602-E604 IonicContact NZ-OE2 3.29Å |
| 605 | G | 65.2 | Low | 66.6 | Low | 17 Ų | 17 | 41.1 Ų | 41.1 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 156 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E624 | G605-E624 WeakPolarHBondContact CA-O 3.39Å; G605-E624 PolarHBondContact N-O 2.77Å |
| 606 | A | 67.5 | Low | 66.9 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 154.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | T586 A616 A626 Q627 | T586-A606 WeakPolarHBondContact O-CA 3.48Å; T586-A606 WeakPolarHBondContact O-CB 3.46Å; A606-A616 HydrophobicContact CB-CB 3.99Å; A606-A626 CarbonylContact O-C 3.6Å; A606-A626 WeakPolarHBondContact O-CA 3.49Å; A606-A626 WeakPolarHBondContact O-CB 3.28Å; A606-Q627 PolarHBondContact O-N 2.94Å |
| 607 | Q | 67.2 | Low | 67 | Low | 90 Ų | 90 | 44.3 Ų | 44.3 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.5 | 158.2 | -71.9 | -174.8 | -38.5 | 0 | 0 | 108.5 | S587 N588 Q627 | S587-Q607 CarbonylContact C-O 3.46Å; S587-Q607 WeakPolarHBondContact CA-O 3Å; N588-Q607 PolarHBondContact N-O 2.63Å; Q607-Q627 WeakPolarHBondContact CA-O 3.34Å; Q607-Q627 HydrophobicContact CG-CB 4.36Å |
| 608 | N | 65.1 | Low | 67.1 | Low | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.1 | 175.5 | -66.5 | -58.4 | 0 | 0 | 0 | 109.8 | N588 E614 Q627 N628 Q629 | N588-N608 WeakPolarHBondContact CB-OD1 3.36Å; N588-N608 PolarHBondContact ND2-OD1 3Å; N588-N608 WeakPolarHBondContact O-CA 3.48Å; N608-E614 PolarHBondContact ND2-O 3.31Å; N608-Q627 PolarHBondContact N-O 2.95Å; N608-N628 WeakPolarHBondContact CB-OD1 3.41Å; N608-N628 PolarHBondContact ND2-OD1 2.87Å; N608-N628 WeakPolarHBondContact O-CA 3.39Å; N608-Q629 PolarHBondContact O-N 2.88Å |
| 609 | Q | 64.4 | Low | 67 | Low | 78 Ų | 78 | 44.9 Ų | 44.9 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.2 | 175.4 | -69.1 | 177.5 | -20.3 | 0 | 0 | 109.7 | N588 Q589 G590 Q629 | N588-Q609 PolarHBondContact O-N 2.87Å; Q589-Q609 WeakPolarHBondContact CA-O 3.28Å; Q589-Q609 HydrophobicContact CG-CB 4.4Å; Q589-Q609 VanDerWaalsContact NE2-OE1 3.14Å; G590-Q609 PolarHBondContact N-O 3.49Å; Q609-Q629 WeakPolarHBondContact CA-O 3.46Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å |
| 610 | G | 64.4 | Low | 67 | Low | 27 Ų | 27 | 42.2 Ų | 42.2 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | -162.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | G590 Q629 G630 K631 | G590-G610 WeakPolarHBondContact O-CA 3.32Å; G610-Q629 PolarHBondContact N-O 2.86Å; G610-G630 WeakPolarHBondContact O-CA 3.41Å; G610-K631 PolarHBondContact O-N 3.09Å |
| 611 | K | 67.3 | Low | 67.2 | Low | 120 Ų | 120 | 47 Ų | 47 | 52% | 0.522 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -45.2 | 173.7 | -67.4 | -170.2 | 179.2 | -172.5 | 0 | 111.6 | K591 K631 K632 | K591-K611 WeakPolarHBondContact O-CB 3.28Å; K591-K611 PolarHBondContact O-N 3.07Å; K611-K631 CarbonylContact O-C 3.56Å; K611-K631 WeakPolarHBondContact O-CA 3.47Å; K611-K631 WeakPolarHBondContact O-CB 3.47Å; K611-K631 PolarHBondContact O-N 3Å; K611-K632 PolarHBondContact O-N 3.01Å |
| 612 | K | 67.8 | Low | 67.4 | Low | 58 Ų | 58 | 43.6 Ų | 43.6 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.9 | 163.8 | -158.8 | -156.6 | -175.5 | -160.3 | 0 | 109.3 | K591 K592 G593 E614 K632 E634 | K591-K612 PolarHBondContact O-N 3.01Å; K592-K612 WeakPolarHBondContact CA-O 3.45Å; K592-K612 HydrophobicContact CG-CB 4.05Å; K592-K612 HydrophobicContact CG-CD 4.2Å; G593-K612 PolarHBondContact N-O 2.9Å; G593-K612 VanDerWaalsContact N-O 3.08Å; K612-E614 HydrophobicContact CD-CG 4.38Å; K612-E614 WeakPolarHBondContact CD-OE1 3.38Å; K612-E614 WeakPolarHBondContact CE-OE1 3.49Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 2.8Å; K612-K632 WeakPolarHBondContact CA-O 3.43Å; K612-K632 HydrophobicContact CG-CB 4.21Å; K612-E634 WeakPolarHBondContact CE-OE1 3.41Å; K612-E634 IonicContact NZ-OE1 3.66Å; K612-E634 PolarHBondContact NZ-OE1 2.85Å; K612-E634 IonicContact NZ-OE2 2.61Å; K612-E634 PolarHBondContact NZ-OE2 2.88Å |
| 613 | G | 65.3 | Low | 67.3 | Low | 5 Ų | 5 | 41.3 Ų | 41.3 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | G593 K632 G633 E634 | G593-G613 WeakPolarHBondContact O-CA 3.33Å; G613-K632 PolarHBondContact N-O 3.38Å; G613-G633 CarbonylContact O-C 3.54Å; G613-G633 WeakPolarHBondContact O-CA 3.32Å; G613-E634 PolarHBondContact O-N 2.73Å |
| 614 | E | 69 | Low | 67.6 | Low | 40 Ų | 40 | 43 Ų | 43 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.1 | 178 | -54.5 | 174.5 | -158.3 | 0 | 0 | 108.5 | K592 G593 E594 G595 N608 K612 E634 | K592-E614 WeakPolarHBondContact CE-OE1 3.42Å; K592-E614 IonicContact NZ-OE1 2.64Å; K592-E614 PolarHBondContact NZ-OE1 3.47Å; K592-E614 IonicContact NZ-OE2 2.65Å; G593-E614 PolarHBondContact O-N 2.81Å; E594-E614 HydrophobicContact CG-CB 4.41Å; G595-E614 WeakPolarHBondContact CA-O 3.25Å; G595-E614 PolarHBondContact N-O 3.47Å; N608-E614 PolarHBondContact ND2-O 3.31Å; K612-E614 HydrophobicContact CD-CG 4.38Å; K612-E614 WeakPolarHBondContact CD-OE1 3.38Å; K612-E614 WeakPolarHBondContact CE-OE1 3.49Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 2.8Å; E614-E634 HydrophobicContact CB-CB 4.45Å; E614-E634 HydrophobicContact CG-CB 4.31Å; E614-E634 WeakPolarHBondContact CG-OE2 3.49Å |
| 615 | G | 66.1 | Low | 67.5 | Low | 14 Ų | 14 | 41.4 Ų | 41.4 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | trans | -67.5 | 164.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E634 | G615-E634 PolarHBondContact N-O 3.47Š| ||
| 616 | A | 71.2 | Confident | 67.7 | Low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -71.2 | 154.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A596 A606 A626 A636 Q637 | A596-A616 CarbonylContact O-C 3.54Å; A596-A616 VanDerWaalsContact O-CA 3.28Å; A596-A616 WeakPolarHBondContact O-CA 3.41Å; A596-A616 VanDerWaalsContact O-CB 3.25Å; A596-A616 WeakPolarHBondContact O-CB 3.31Å; A606-A616 HydrophobicContact CB-CB 3.99Å; A616-A626 HydrophobicContact CB-CB 3.96Å; A616-A636 CarbonylContact O-C 3.49Å; A616-A636 VanDerWaalsContact O-CA 3.23Å; A616-A636 WeakPolarHBondContact O-CA 3.34Å; A616-A636 VanDerWaalsContact O-CB 3.27Å; A616-A636 WeakPolarHBondContact O-CB 3.25Å; A616-Q637 PolarHBondContact O-N 3.07Å | ||
| 617 | Q | 70.4 | Confident | 67.8 | Low | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 113 | 166 | -66.8 | -177.3 | -43.9 | 0 | 0 | 109.1 | A596 Q597 N598 Q637 | A596-Q617 PolarHBondContact O-N 3Å; Q597-Q617 CarbonylContact C-O 3.59Å; Q597-Q617 VanDerWaalsContact CA-O 3.32Å; Q597-Q617 WeakPolarHBondContact CA-O 3.34Å; Q597-Q617 HydrophobicContact CG-CB 4.31Å; N598-Q617 PolarHBondContact N-O 2.78Å; Q617-Q637 CarbonylContact C-O 3.51Å; Q617-Q637 WeakPolarHBondContact CA-O 3.15Å; Q617-Q637 HydrophobicContact CG-CB 4.35Å |
| 618 | N | 68.8 | Low | 67.8 | Low | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.9 | 178.4 | -64.4 | -58.2 | 0 | 0 | 0 | 110.8 | N598 E624 Q637 N638 Q639 | N598-N618 WeakPolarHBondContact CB-OD1 3.29Å; N598-N618 PolarHBondContact ND2-OD1 2.9Å; N598-N618 WeakPolarHBondContact O-CA 2.9Å; N618-E624 PolarHBondContact ND2-O 3.02Å; N618-Q637 PolarHBondContact N-O 2.87Å; N618-N638 WeakPolarHBondContact CB-OD1 3.36Å; N618-N638 PolarHBondContact ND2-OD1 3.29Å; N618-Q639 PolarHBondContact O-N 3.33Å |
| 619 | Q | 67.9 | Low | 68 | Low | 86 Ų | 86 | 43.8 Ų | 43.8 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.5 | 174.1 | -69.4 | 177.5 | -23.5 | 0 | 0 | 110.3 | N598 Q599 G600 Q639 | N598-Q619 PolarHBondContact O-N 2.87Å; Q599-Q619 WeakPolarHBondContact CA-O 3.38Å; Q599-Q619 HydrophobicContact CG-CB 4.34Å; G600-Q619 PolarHBondContact N-O 3.42Å; Q619-Q639 WeakPolarHBondContact CA-O 3.33Å; Q619-Q639 HydrophobicContact CG-CB 4.37Å |
| 620 | G | 66.8 | Low | 68.1 | Low | 25 Ų | 25 | 41.1 Ų | 41.1 | 26% | 0.258 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 178 | -163.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | G600 Q639 G640 | G600-G620 WeakPolarHBondContact O-CA 3.16Å; G620-Q639 PolarHBondContact N-O 3.11Å; G620-G640 WeakPolarHBondContact O-CA 3.39Å |
| 621 | K | 69.3 | Low | 68.4 | Low | 121 Ų | 121 | 45.5 Ų | 45.5 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -42.8 | 172.8 | -67.9 | -170.1 | 178.3 | -171.6 | 0 | 111.4 | K601 K641 K642 | K601-K621 WeakPolarHBondContact O-CA 3.34Å; K601-K621 WeakPolarHBondContact O-CB 3.31Å; K601-K621 PolarHBondContact O-N 2.93Å; K621-K641 CarbonylContact O-C 3.55Å; K621-K641 WeakPolarHBondContact O-CA 3.39Å; K621-K641 WeakPolarHBondContact O-CB 3.15Å; K621-K641 PolarHBondContact O-N 2.89Å; K621-K642 PolarHBondContact O-N 2.96Å |
| 622 | K | 71.1 | Confident | 68.7 | Low | 54 Ų | 54 | 42.5 Ų | 42.5 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.8 | 161.2 | -175.9 | 177.2 | -172.7 | -169.6 | 0 | 109.5 | K601 K602 G603 E624 K642 E644 | K601-K622 PolarHBondContact O-N 2.83Å; K602-K622 CarbonylContact C-O 3.55Å; K602-K622 WeakPolarHBondContact CA-O 2.99Å; K602-K622 HydrophobicContact CG-CB 4.11Å; K602-K622 HydrophobicContact CG-CD 4.25Å; K602-K622 HydrophobicContact CG-CG 4.33Å; G603-K622 PolarHBondContact N-O 3.27Å; K622-E624 HydrophobicContact CD-CG 4.41Å; K622-E624 WeakPolarHBondContact CD-OE1 3.23Å; K622-E624 WeakPolarHBondContact CE-OE1 3.34Å; K622-E624 IonicContact NZ-OE1 2.77Å; K622-E624 PolarHBondContact NZ-OE1 2.83Å; K622-K642 CarbonylContact C-O 3.49Å; K622-K642 VanDerWaalsContact CA-O 3.26Å; K622-K642 WeakPolarHBondContact CA-O 3.24Å; K622-K642 HydrophobicContact CG-CB 4.35Å; K622-E644 WeakPolarHBondContact CE-OE1 3.2Å; K622-E644 VanDerWaalsContact CE-OE2 3.31Å; K622-E644 WeakPolarHBondContact CE-OE2 3.49Å; K622-E644 IonicContact NZ-OE1 2.62Å; K622-E644 PolarHBondContact NZ-OE1 2.93Å; K622-E644 IonicContact NZ-OE2 2.76Å; K622-E644 PolarHBondContact NZ-OE2 3.14Å |
| 623 | G | 66.1 | Low | 68.6 | Low | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G603 K642 G643 E644 | G603-G623 CarbonylContact O-C 3.58Å; G603-G623 WeakPolarHBondContact O-CA 3.44Å; G623-K642 PolarHBondContact N-O 2.97Å; G623-G643 CarbonylContact O-C 3.56Å; G623-G643 WeakPolarHBondContact O-CA 3.35Å; G623-E644 PolarHBondContact O-N 2.81Å |
| 624 | E | 69.9 | Low | 68.8 | Low | 37 Ų | 37 | 41.2 Ų | 41.2 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.4 | 175.9 | -62.8 | 172.2 | -170.9 | 0 | 0 | 108.6 | K602 G603 G605 N618 K622 E644 | K602-E624 VanDerWaalsContact CE-CD 3.45Å; K602-E624 WeakPolarHBondContact CE-OE1 3.27Å; K602-E624 IonicContact NZ-OE1 2.65Å; K602-E624 PolarHBondContact NZ-OE1 2.82Å; K602-E624 IonicContact NZ-OE2 2.59Å; K602-E624 PolarHBondContact NZ-OE2 3.23Å; G603-E624 PolarHBondContact O-N 3.43Å; G605-E624 WeakPolarHBondContact CA-O 3.39Å; G605-E624 PolarHBondContact N-O 2.77Å; N618-E624 PolarHBondContact ND2-O 3.02Å; K622-E624 HydrophobicContact CD-CG 4.41Å; K622-E624 WeakPolarHBondContact CD-OE1 3.23Å; K622-E624 WeakPolarHBondContact CE-OE1 3.34Å; K622-E624 IonicContact NZ-OE1 2.77Å; K622-E624 PolarHBondContact NZ-OE1 2.83Å; E624-E644 HydrophobicContact CB-CB 4.4Å; E624-E644 HydrophobicContact CG-CB 4.18Å |
| 625 | G | 66.1 | Low | 68.7 | Low | 16 Ų | 16 | 40.3 Ų | 40.3 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | trans | -69.5 | 161.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N638 E644 G645 | G625-N638 WeakPolarHBondContact CA-ND2 3.32Å; G625-E644 PolarHBondContact N-O 2.83Å; G625-E644 VanDerWaalsContact N-O 3.14Å; G625-G645 WeakPolarHBondContact CA-O 2.99Å; G625-G645 PolarHBondContact N-O 2.95Å | ||
| 626 | A | 69.9 | Low | 69 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -76.8 | 159.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A606 A616 A636 A646 Q647 | A606-A626 CarbonylContact O-C 3.6Å; A606-A626 WeakPolarHBondContact O-CA 3.49Å; A606-A626 WeakPolarHBondContact O-CB 3.28Å; A616-A626 HydrophobicContact CB-CB 3.96Å; A626-A636 HydrophobicContact CB-CB 3.85Å; A626-A646 CarbonylContact O-C 3.57Å; A626-A646 VanDerWaalsContact O-CA 3.24Å; A626-A646 WeakPolarHBondContact O-CA 3.5Å; A626-A646 VanDerWaalsContact O-CB 3.3Å; A626-A646 WeakPolarHBondContact O-CB 2.72Å; A626-Q647 PolarHBondContact O-N 3.26Å | ||
| 627 | Q | 69.9 | Low | 69 | Low | 73 Ų | 73 | 43 Ų | 43 | 34% | 0.341 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.1 | 164.4 | -63.3 | -179.4 | -47.3 | 0 | 0 | 109.8 | A606 Q607 N608 Q647 | A606-Q627 PolarHBondContact O-N 2.94Å; Q607-Q627 WeakPolarHBondContact CA-O 3.34Å; Q607-Q627 HydrophobicContact CG-CB 4.36Å; N608-Q627 PolarHBondContact N-O 2.95Å; Q627-Q647 CarbonylContact C-O 3.28Å; Q627-Q647 VanDerWaalsContact CA-O 3.32Å; Q627-Q647 WeakPolarHBondContact CA-O 3.37Å; Q627-Q647 HydrophobicContact CG-CB 4.32Å |
| 628 | N | 67.5 | Low | 69 | Low | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.8 | 174.6 | -60.7 | -73.8 | 0 | 0 | 0 | 110.4 | N608 E634 Q647 N648 Q649 | N608-N628 WeakPolarHBondContact CB-OD1 3.41Å; N608-N628 PolarHBondContact ND2-OD1 2.87Å; N608-N628 WeakPolarHBondContact O-CA 3.39Å; N628-E634 PolarHBondContact ND2-O 2.97Å; N628-Q647 PolarHBondContact N-O 2.84Å; N628-N648 WeakPolarHBondContact CB-OD1 3.45Å; N628-N648 PolarHBondContact ND2-OD1 2.88Å; N628-Q649 PolarHBondContact O-N 2.94Å |
| 629 | Q | 67.8 | Low | 69 | Low | 84 Ų | 84 | 43.3 Ų | 43.3 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.8 | 175.7 | -68.8 | 179.9 | -25.6 | 0 | 0 | 110.1 | N608 Q609 G610 Q649 | N608-Q629 PolarHBondContact O-N 2.88Å; Q609-Q629 WeakPolarHBondContact CA-O 3.46Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å; G610-Q629 PolarHBondContact N-O 2.86Å; Q629-Q649 WeakPolarHBondContact CA-O 3.35Å; Q629-Q649 HydrophobicContact CG-CB 4.3Å |
| 630 | G | 66.6 | Low | 69 | Low | 22 Ų | 22 | 40.2 Ų | 40.2 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | -163.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | G610 Q649 G650 K651 | G610-G630 WeakPolarHBondContact O-CA 3.41Å; G630-Q649 PolarHBondContact N-O 2.77Å; G630-G650 WeakPolarHBondContact O-CA 3.44Å; G630-K651 PolarHBondContact O-N 2.73Å |
| 631 | K | 71.6 | Confident | 69.1 | Low | 120 Ų | 120 | 44.8 Ų | 44.8 | 52% | 0.522 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -40.5 | 175.3 | -68 | -169.3 | 179 | -171.9 | 0 | 112.1 | G610 K611 K651 K652 | G610-K631 PolarHBondContact O-N 3.09Å; K611-K631 CarbonylContact O-C 3.56Å; K611-K631 WeakPolarHBondContact O-CA 3.47Å; K611-K631 WeakPolarHBondContact O-CB 3.47Å; K611-K631 PolarHBondContact O-N 3Å; K631-K651 WeakPolarHBondContact O-CB 3.32Å; K631-K651 PolarHBondContact O-N 2.87Å; K631-K652 PolarHBondContact O-N 2.88Å |
| 632 | K | 72.6 | Confident | 69.2 | Low | 57 Ų | 57 | 41.8 Ų | 41.8 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.9 | 160.4 | -165.9 | -168.4 | -173.5 | -162 | 0 | 109.2 | K611 K612 G613 E634 K652 E654 | K611-K632 PolarHBondContact O-N 3.01Å; K612-K632 WeakPolarHBondContact CA-O 3.43Å; K612-K632 HydrophobicContact CG-CB 4.21Å; G613-K632 PolarHBondContact N-O 3.38Å; K632-E634 HydrophobicContact CD-CG 4.44Å; K632-E634 WeakPolarHBondContact CD-OE1 3.05Å; K632-E634 VanDerWaalsContact CE-OE1 3.23Å; K632-E634 WeakPolarHBondContact CE-OE1 3.36Å; K632-E634 IonicContact NZ-OE1 2.63Å; K632-E634 PolarHBondContact NZ-OE1 3.06Å; K632-K652 CarbonylContact C-O 3.32Å; K632-K652 VanDerWaalsContact CA-O 3.3Å; K632-K652 WeakPolarHBondContact CA-O 2.99Å; K632-K652 HydrophobicContact CB-CB 4.42Å; K632-K652 HydrophobicContact CG-CB 4.05Å; K632-E654 WeakPolarHBondContact CE-OE1 3.39Å; K632-E654 IonicContact NZ-OE1 3.42Å; K632-E654 PolarHBondContact NZ-OE1 2.92Å; K632-E654 IonicContact NZ-OE2 3.1Å; K632-E654 PolarHBondContact NZ-OE2 3.35Å |
| 633 | G | 66.6 | Low | 69 | Low | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 150.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G613 K652 G653 E654 | G613-G633 CarbonylContact O-C 3.54Å; G613-G633 WeakPolarHBondContact O-CA 3.32Å; G633-K652 PolarHBondContact N-O 2.59Å; G633-G653 CarbonylContact O-C 3.47Å; G633-G653 VanDerWaalsContact O-CA 3.28Å; G633-G653 WeakPolarHBondContact O-CA 3.33Å; G633-E654 PolarHBondContact O-N 3.15Å |
| 634 | E | 69.9 | Low | 69.2 | Low | 34 Ų | 34 | 40.9 Ų | 40.9 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 142.4 | 172.8 | -59.3 | 175.2 | -173.6 | 0 | 0 | 108.3 | K612 G613 E614 G615 N628 K632 N648 E654 | K612-E634 WeakPolarHBondContact CE-OE1 3.41Å; K612-E634 IonicContact NZ-OE1 3.66Å; K612-E634 PolarHBondContact NZ-OE1 2.85Å; K612-E634 IonicContact NZ-OE2 2.61Å; K612-E634 PolarHBondContact NZ-OE2 2.88Å; G613-E634 PolarHBondContact O-N 2.73Å; E614-E634 HydrophobicContact CB-CB 4.45Å; E614-E634 HydrophobicContact CG-CB 4.31Å; E614-E634 WeakPolarHBondContact CG-OE2 3.49Å; G615-E634 PolarHBondContact N-O 3.47Å; N628-E634 PolarHBondContact ND2-O 2.97Å; K632-E634 HydrophobicContact CD-CG 4.44Å; K632-E634 WeakPolarHBondContact CD-OE1 3.05Å; K632-E634 VanDerWaalsContact CE-OE1 3.23Å; K632-E634 WeakPolarHBondContact CE-OE1 3.36Å; K632-E634 IonicContact NZ-OE1 2.63Å; K632-E634 PolarHBondContact NZ-OE1 3.06Å; E634-N648 VanDerWaalsContact C-ND2 3.32Å; E634-N648 PolarHBondContact O-ND2 2.92Å; E634-E654 HydrophobicContact CG-CB 4.4Å; E634-E654 WeakPolarHBondContact CG-OE2 3.46Å |
| 635 | G | 66.7 | Low | 69 | Low | 20 Ų | 20 | 40.4 Ų | 40.4 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | trans | -67.5 | 159.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | N648 E654 G655 | G635-N648 WeakPolarHBondContact CA-ND2 3.26Å; G635-N648 PolarHBondContact N-ND2 3.44Å; G635-E654 PolarHBondContact N-O 2.91Å; G635-G655 VanDerWaalsContact CA-O 3.31Å; G635-G655 WeakPolarHBondContact CA-O 2.92Å; G635-G655 PolarHBondContact N-O 3.16Å | ||
| 636 | A | 72.1 | Confident | 69.3 | Low | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | trans | -77.4 | 160.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A616 A626 A646 A656 Q657 | A616-A636 CarbonylContact O-C 3.49Å; A616-A636 VanDerWaalsContact O-CA 3.23Å; A616-A636 WeakPolarHBondContact O-CA 3.34Å; A616-A636 VanDerWaalsContact O-CB 3.27Å; A616-A636 WeakPolarHBondContact O-CB 3.25Å; A626-A636 HydrophobicContact CB-CB 3.85Å; A636-A646 HydrophobicContact CB-CB 3.52Å; A636-A656 WeakPolarHBondContact O-CA 3.3Å; A636-A656 WeakPolarHBondContact O-CB 3.46Å; A636-Q657 PolarHBondContact O-N 3.19Å | ||
| 637 | Q | 72 | Confident | 69.3 | Low | 70 Ų | 70 | 42.9 Ų | 42.9 | 33% | 0.327 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.3 | 166.4 | -63.4 | 178.2 | -47.8 | 0 | 0 | 109.8 | A616 Q617 N618 Q657 | A616-Q637 PolarHBondContact O-N 3.07Å; Q617-Q637 CarbonylContact C-O 3.51Å; Q617-Q637 WeakPolarHBondContact CA-O 3.15Å; Q617-Q637 HydrophobicContact CG-CB 4.35Å; N618-Q637 PolarHBondContact N-O 2.87Å; Q637-Q657 CarbonylContact C-O 3.53Å; Q637-Q657 VanDerWaalsContact CA-O 3.31Å; Q637-Q657 WeakPolarHBondContact CA-O 3.34Å; Q637-Q657 HydrophobicContact CG-CB 4.34Å |
| 638 | N | 69.4 | Low | 69.3 | Low | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.6 | 172.2 | -65.4 | -79.6 | 0 | 0 | 0 | 110.1 | N618 G625 E644 Q657 N658 Q659 | N618-N638 WeakPolarHBondContact CB-OD1 3.36Å; N618-N638 PolarHBondContact ND2-OD1 3.29Å; G625-N638 WeakPolarHBondContact CA-ND2 3.32Å; N638-E644 PolarHBondContact ND2-O 2.76Å; N638-Q657 PolarHBondContact N-O 2.92Å; N638-N658 WeakPolarHBondContact CB-OD1 3.43Å; N638-N658 PolarHBondContact ND2-OD1 2.9Å; N638-N658 CarbonylContact O-C 3.49Å; N638-Q659 PolarHBondContact O-N 3.21Å |
| 639 | Q | 69.3 | Low | 69.4 | Low | 83 Ų | 83 | 43 Ų | 43 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.8 | 174.6 | -71.1 | 178.4 | -24.5 | 0 | 0 | 109.9 | N618 Q619 G620 Q659 | N618-Q639 PolarHBondContact O-N 3.33Å; Q619-Q639 WeakPolarHBondContact CA-O 3.33Å; Q619-Q639 HydrophobicContact CG-CB 4.37Å; G620-Q639 PolarHBondContact N-O 3.11Å; Q639-Q659 WeakPolarHBondContact CA-O 3.15Å; Q639-Q659 HydrophobicContact CG-CB 4.26Å; Q639-Q659 VanDerWaalsContact NE2-OE1 3.11Å |
| 640 | G | 67.7 | Low | 69.5 | Low | 21 Ų | 21 | 40 Ų | 40 | 22% | 0.216 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -166.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | G620 Q659 G660 K661 | G620-G640 WeakPolarHBondContact O-CA 3.39Å; G640-Q659 PolarHBondContact N-O 3.18Å; G640-G660 CarbonylContact O-C 3.57Å; G640-G660 WeakPolarHBondContact O-CA 3.3Å; G640-K661 PolarHBondContact O-N 2.86Å |
| 641 | K | 69.9 | Low | 69.8 | Low | 120 Ų | 120 | 44.9 Ų | 44.9 | 52% | 0.522 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -42.7 | 175.6 | -66.3 | -169.2 | 179.3 | -171.4 | 0 | 112 | K621 K661 K662 | K621-K641 CarbonylContact O-C 3.55Å; K621-K641 WeakPolarHBondContact O-CA 3.39Å; K621-K641 WeakPolarHBondContact O-CB 3.15Å; K621-K641 PolarHBondContact O-N 2.89Å; K641-K661 WeakPolarHBondContact O-CB 3.3Å; K641-K661 PolarHBondContact O-N 3.44Å; K641-K662 PolarHBondContact O-N 2.89Å |
| 642 | K | 71.6 | Confident | 70 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.1 | 160.9 | -167.3 | -175.8 | -175.8 | -160 | 0 | 109.8 | K621 K622 G623 E644 K662 E664 | K621-K642 PolarHBondContact O-N 2.96Å; K622-K642 CarbonylContact C-O 3.49Å; K622-K642 VanDerWaalsContact CA-O 3.26Å; K622-K642 WeakPolarHBondContact CA-O 3.24Å; K622-K642 HydrophobicContact CG-CB 4.35Å; G623-K642 PolarHBondContact N-O 2.97Å; K642-E644 WeakPolarHBondContact CD-OE1 3.39Å; K642-E644 WeakPolarHBondContact CE-OE1 3.35Å; K642-E644 IonicContact NZ-OE1 2.72Å; K642-E644 PolarHBondContact NZ-OE1 3Å; K642-K662 CarbonylContact C-O 3.57Å; K642-K662 VanDerWaalsContact CA-O 3.22Å; K642-K662 WeakPolarHBondContact CA-O 3.36Å; K642-K662 HydrophobicContact CG-CB 4.29Å; K642-E664 WeakPolarHBondContact CE-OE1 3.49Å; K642-E664 VanDerWaalsContact NZ-CD 3.32Å; K642-E664 IonicContact NZ-OE1 2.69Å; K642-E664 PolarHBondContact NZ-OE1 3.35Å; K642-E664 IonicContact NZ-OE2 3.25Å; K642-E664 PolarHBondContact NZ-OE2 2.77Å |
| 643 | G | 66 | Low | 69.7 | Low | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 157.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G623 K662 G663 E664 | G623-G643 CarbonylContact O-C 3.56Å; G623-G643 WeakPolarHBondContact O-CA 3.35Å; G643-K662 PolarHBondContact N-O 3.32Å; G643-G663 CarbonylContact O-C 2.97Å; G643-G663 VanDerWaalsContact O-CA 3.29Å; G643-G663 WeakPolarHBondContact O-CA 3.35Å; G643-E664 PolarHBondContact O-N 2.94Å |
| 644 | E | 69.5 | Low | 69.9 | Low | 36 Ų | 36 | 44.6 Ų | 44.6 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | trans | -132.4 | 151 | 169.2 | -101 | 144.2 | -117.8 | 0 | 0 | 110 | K622 G623 E624 G625 N638 K642 N658 E664 | K622-E644 WeakPolarHBondContact CE-OE1 3.2Å; K622-E644 VanDerWaalsContact CE-OE2 3.31Å; K622-E644 WeakPolarHBondContact CE-OE2 3.49Å; K622-E644 IonicContact NZ-OE1 2.62Å; K622-E644 PolarHBondContact NZ-OE1 2.93Å; K622-E644 IonicContact NZ-OE2 2.76Å; K622-E644 PolarHBondContact NZ-OE2 3.14Å; G623-E644 PolarHBondContact O-N 2.81Å; E624-E644 HydrophobicContact CB-CB 4.4Å; E624-E644 HydrophobicContact CG-CB 4.18Å; G625-E644 PolarHBondContact N-O 2.83Å; G625-E644 VanDerWaalsContact N-O 3.14Å; N638-E644 PolarHBondContact ND2-O 2.76Å; K642-E644 WeakPolarHBondContact CD-OE1 3.39Å; K642-E644 WeakPolarHBondContact CE-OE1 3.35Å; K642-E644 IonicContact NZ-OE1 2.72Å; K642-E644 PolarHBondContact NZ-OE1 3Å; E644-N658 PolarHBondContact O-ND2 3.45Å; E644-E664 CarbonylContact C-O 3.58Å; E644-E664 HydrophobicContact CG-CB 4.13Å; E644-E664 VanDerWaalsContact CG-OE2 3.25Å; E644-E664 WeakPolarHBondContact CG-OE2 3.33Å | ||
| 645 | G | 66 | Low | 69.8 | Low | 27 Ų | 27 | 43.9 Ų | 43.9 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | trans | -59.8 | 150.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G625 E664 G665 | G625-G645 WeakPolarHBondContact CA-O 2.99Å; G625-G645 PolarHBondContact N-O 2.95Å; G645-E664 WeakPolarHBondContact CA-O 3.37Å; G645-E664 PolarHBondContact N-O 2.77Å; G645-E664 VanDerWaalsContact N-O 3.14Å; G645-G665 WeakPolarHBondContact CA-O 3.29Å | ||
| 646 | A | 72.1 | Confident | 70.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | trans | -102.2 | 146.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A626 A636 A656 P666 Q667 | A626-A646 CarbonylContact O-C 3.57Å; A626-A646 VanDerWaalsContact O-CA 3.24Å; A626-A646 WeakPolarHBondContact O-CA 3.5Å; A626-A646 VanDerWaalsContact O-CB 3.3Å; A626-A646 WeakPolarHBondContact O-CB 2.72Å; A636-A646 HydrophobicContact CB-CB 3.52Å; A646-A656 HydrophobicContact CB-CB 3.8Å; A646-P666 VanDerWaalsContact O-CA 3.3Å; A646-P666 WeakPolarHBondContact O-CA 3.41Å; A646-P666 WeakPolarHBondContact O-CB 3.33Å; A646-Q667 PolarHBondContact O-N 2.89Å | ||
| 647 | Q | 71.3 | Confident | 70.1 | Confident | 66 Ų | 66 | 46.1 Ų | 46.1 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.7 | -177.7 | -61.5 | -178.6 | -59.4 | 0 | 0 | 111.4 | A626 Q627 N628 Q667 | A626-Q647 PolarHBondContact O-N 3.26Å; Q627-Q647 CarbonylContact C-O 3.28Å; Q627-Q647 VanDerWaalsContact CA-O 3.32Å; Q627-Q647 WeakPolarHBondContact CA-O 3.37Å; Q627-Q647 HydrophobicContact CG-CB 4.32Å; N628-Q647 PolarHBondContact N-O 2.84Å; Q647-Q667 WeakPolarHBondContact CA-O 3.35Å; Q647-Q667 HydrophobicContact CG-CB 4.33Å |
| 648 | N | 68.3 | Low | 70 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.2 | 176.2 | -77.1 | 3.8 | 0 | 0 | 0 | 110.1 | N628 E634 G635 E654 Q667 Q669 | N628-N648 WeakPolarHBondContact CB-OD1 3.45Å; N628-N648 PolarHBondContact ND2-OD1 2.88Å; E634-N648 VanDerWaalsContact C-ND2 3.32Å; E634-N648 PolarHBondContact O-ND2 2.92Å; G635-N648 WeakPolarHBondContact CA-ND2 3.26Å; G635-N648 PolarHBondContact N-ND2 3.44Å; N648-E654 PolarHBondContact ND2-O 2.94Å; N648-Q667 PolarHBondContact N-O 3.29Å; N648-Q669 PolarHBondContact O-N 2.95Å |
| 649 | Q | 70.1 | Confident | 70.1 | Confident | 72 Ų | 72 | 46 Ų | 46 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.3 | -179.5 | -69.6 | 179.9 | -28 | 0 | 0 | 110.6 | N628 Q629 G630 Q669 | N628-Q649 PolarHBondContact O-N 2.94Å; Q629-Q649 WeakPolarHBondContact CA-O 3.35Å; Q629-Q649 HydrophobicContact CG-CB 4.3Å; G630-Q649 PolarHBondContact N-O 2.77Å; Q649-Q669 WeakPolarHBondContact CA-O 3.49Å; Q649-Q669 HydrophobicContact CG-CB 4.16Å |
| 650 | G | 69.9 | Low | 70.1 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -162.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 120 | G630 Q669 A670 K671 | G630-G650 WeakPolarHBondContact O-CA 3.44Å; G650-Q669 PolarHBondContact N-O 2.86Å; G650-A670 WeakPolarHBondContact O-CA 3.39Å; G650-K671 PolarHBondContact O-N 2.64Å; G650-K671 VanDerWaalsContact O-N 3.15Å |
| 651 | K | 73.9 | Confident | 70.2 | Confident | 124 Ų | 124 | 47.7 Ų | 47.7 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -40.8 | 172.1 | -66.7 | -163.3 | 179 | -165.2 | 0 | 111.9 | G630 K631 K671 K672 | G630-K651 PolarHBondContact O-N 2.73Å; K631-K651 WeakPolarHBondContact O-CB 3.32Å; K631-K651 PolarHBondContact O-N 2.87Å; K651-K671 CarbonylContact O-C 3.54Å; K651-K671 WeakPolarHBondContact O-CA 3.39Å; K651-K671 WeakPolarHBondContact O-CB 2.92Å; K651-K671 PolarHBondContact O-N 3.29Å; K651-K672 PolarHBondContact O-N 3.14Å |
| 652 | K | 74.7 | Confident | 70.2 | Confident | 120 Ų | 120 | 45.2 Ų | 45.2 | 52% | 0.522 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.9 | 166.3 | -67.1 | -170.6 | 177.3 | -171.6 | 0 | 108.9 | K631 K632 G633 K672 | K631-K652 PolarHBondContact O-N 2.88Å; K632-K652 CarbonylContact C-O 3.32Å; K632-K652 VanDerWaalsContact CA-O 3.3Å; K632-K652 WeakPolarHBondContact CA-O 2.99Å; K632-K652 HydrophobicContact CB-CB 4.42Å; K632-K652 HydrophobicContact CG-CB 4.05Å; G633-K652 PolarHBondContact N-O 2.59Å; K652-K672 CarbonylContact C-O 3.46Å; K652-K672 VanDerWaalsContact CA-O 3.27Å; K652-K672 WeakPolarHBondContact CA-O 2.99Å; K652-K672 HydrophobicContact CG-CB 4.41Å |
| 653 | G | 67.2 | Low | 70 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 125 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G633 N668 K672 G673 E674 | G633-G653 CarbonylContact O-C 3.47Å; G633-G653 VanDerWaalsContact O-CA 3.28Å; G633-G653 WeakPolarHBondContact O-CA 3.33Å; G653-N668 PolarHBondContact O-ND2 2.65Å; G653-K672 PolarHBondContact N-O 2.77Å; G653-G673 CarbonylContact O-C 3.54Å; G653-G673 VanDerWaalsContact O-CA 3.3Å; G653-G673 WeakPolarHBondContact O-CA 3.5Å; G653-E674 PolarHBondContact O-N 2.79Å |
| 654 | E | 71.4 | Confident | 70.1 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 23% | 0.229 | 23% | 0.23 | C | C | . | . | trans | -84.1 | 148.5 | 164.2 | -85.5 | 122 | -110.5 | 0 | 0 | 110.5 | K632 G633 E634 G635 N648 E674 | K632-E654 WeakPolarHBondContact CE-OE1 3.39Å; K632-E654 IonicContact NZ-OE1 3.42Å; K632-E654 PolarHBondContact NZ-OE1 2.92Å; K632-E654 IonicContact NZ-OE2 3.1Å; K632-E654 PolarHBondContact NZ-OE2 3.35Å; G633-E654 PolarHBondContact O-N 3.15Å; E634-E654 HydrophobicContact CG-CB 4.4Å; E634-E654 WeakPolarHBondContact CG-OE2 3.46Å; G635-E654 PolarHBondContact N-O 2.91Å; N648-E654 PolarHBondContact ND2-O 2.94Å; E654-E674 HydrophobicContact CG-CB 4.1Å; E654-E674 HydrophobicContact CG-CG 4.32Å; E654-E674 VanDerWaalsContact CG-OE2 3.25Å; E654-E674 WeakPolarHBondContact CG-OE2 3.06Å | ||
| 655 | G | 66.5 | Low | 70 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | trans | -72.4 | 168.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G635 E674 G675 | G635-G655 VanDerWaalsContact CA-O 3.31Å; G635-G655 WeakPolarHBondContact CA-O 2.92Å; G635-G655 PolarHBondContact N-O 3.16Å; G655-E674 PolarHBondContact N-O 3.38Å; G655-G675 WeakPolarHBondContact CA-O 3.37Å | ||
| 656 | A | 73.4 | Confident | 70.3 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | trans | -107.2 | 167.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A636 A646 P666 Q677 | A636-A656 WeakPolarHBondContact O-CA 3.3Å; A636-A656 WeakPolarHBondContact O-CB 3.46Å; A646-A656 HydrophobicContact CB-CB 3.8Å; A656-P666 HydrophobicContact CB-CB 3.55Å; A656-P666 HydrophobicContact CB-CG 3.88Å; A656-P666 WeakPolarHBondContact O-CG 3.5Å; A656-Q677 PolarHBondContact O-N 3.04Å | ||
| 657 | Q | 72.5 | Confident | 70.3 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.6 | -175.4 | -59.3 | -179.9 | -49.7 | 0 | 0 | 112.1 | A636 Q637 N638 Q677 | A636-Q657 PolarHBondContact O-N 3.19Å; Q637-Q657 CarbonylContact C-O 3.53Å; Q637-Q657 VanDerWaalsContact CA-O 3.31Å; Q637-Q657 WeakPolarHBondContact CA-O 3.34Å; Q637-Q657 HydrophobicContact CG-CB 4.34Å; N638-Q657 PolarHBondContact N-O 2.92Å; Q657-Q677 WeakPolarHBondContact CA-O 3.16Å; Q657-Q677 HydrophobicContact CG-CB 4.28Å |
| 658 | N | 70.4 | Confident | 70.3 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 93.5 | -177.3 | -83.9 | 13.2 | 0 | 0 | 0 | 113.5 | N638 E644 E664 Q677 N678 Q679 G680 | N638-N658 WeakPolarHBondContact CB-OD1 3.43Å; N638-N658 PolarHBondContact ND2-OD1 2.9Å; N638-N658 CarbonylContact O-C 3.49Å; E644-N658 PolarHBondContact O-ND2 3.45Å; N658-E664 PolarHBondContact ND2-O 2.91Å; N658-Q677 PolarHBondContact N-O 2.74Å; N658-N678 PolarHBondContact O-OD1 3.07Å; N658-N678 VanDerWaalsContact O-OD1 3.1Å; N658-Q679 CarbonylContact O-C 3.57Å; N658-Q679 VanDerWaalsContact O-C 3.27Å; N658-Q679 WeakPolarHBondContact O-CA 3.18Å; N658-Q679 PolarHBondContact O-N 2.98Å; N658-G680 PolarHBondContact O-N 3.04Å |
| 659 | Q | 70.4 | Confident | 70.6 | Confident | 67 Ų | 67 | 44 Ų | 44 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.6 | -178.5 | -74.8 | 172.1 | -16 | 0 | 0 | 113.4 | N638 Q639 G640 Q679 | N638-Q659 PolarHBondContact O-N 3.21Å; Q639-Q659 WeakPolarHBondContact CA-O 3.15Å; Q639-Q659 HydrophobicContact CG-CB 4.26Å; Q639-Q659 VanDerWaalsContact NE2-OE1 3.11Å; G640-Q659 PolarHBondContact N-O 3.18Å; Q659-Q679 CarbonylContact C-O 3Å; Q659-Q679 VanDerWaalsContact CA-O 3.32Å; Q659-Q679 WeakPolarHBondContact CA-O 3.48Å; Q659-Q679 HydrophobicContact CB-CB 4.41Å; Q659-Q679 HydrophobicContact CG-CB 3.62Å |
| 660 | G | 68.6 | Low | 70.7 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -142.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | G640 Q679 G680 K681 | G640-G660 CarbonylContact O-C 3.57Å; G640-G660 WeakPolarHBondContact O-CA 3.3Å; G660-Q679 PolarHBondContact N-O 2.92Å; G660-G680 CarbonylContact O-C 3.52Å; G660-G680 WeakPolarHBondContact O-CA 3.15Å; G660-K681 PolarHBondContact O-N 2.87Å; G660-K681 VanDerWaalsContact O-N 3.15Å |
| 661 | K | 70.5 | Confident | 70.8 | Confident | 117 Ų | 117 | 45.5 Ų | 45.5 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -46.5 | 174.1 | -67.5 | -169.5 | -178.6 | -172.3 | 0 | 113.2 | G640 K641 K681 K682 | G640-K661 PolarHBondContact O-N 2.86Å; K641-K661 WeakPolarHBondContact O-CB 3.3Å; K641-K661 PolarHBondContact O-N 3.44Å; K661-K681 CarbonylContact O-C 3.19Å; K661-K681 WeakPolarHBondContact O-CA 3.13Å; K661-K681 VanDerWaalsContact O-CB 3.28Å; K661-K681 WeakPolarHBondContact O-CB 2.96Å; K661-K681 PolarHBondContact O-N 3.15Å; K661-K681 VanDerWaalsContact O-N 3.1Å; K661-K682 PolarHBondContact O-N 3.1Å |
| 662 | K | 70.7 | Confident | 70.8 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 30% | 0.3 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.5 | 155.5 | -162.9 | -173.5 | -179.2 | -140 | 0 | 108.7 | K641 K642 G643 E664 K682 E684 | K641-K662 PolarHBondContact O-N 2.89Å; K642-K662 CarbonylContact C-O 3.57Å; K642-K662 VanDerWaalsContact CA-O 3.22Å; K642-K662 WeakPolarHBondContact CA-O 3.36Å; K642-K662 HydrophobicContact CG-CB 4.29Å; G643-K662 PolarHBondContact N-O 3.32Å; K662-E664 IonicContact NZ-OE1 2.82Å; K662-E664 PolarHBondContact NZ-OE1 3.32Å; K662-K682 CarbonylContact C-O 3.54Å; K662-K682 WeakPolarHBondContact CA-O 3.26Å; K662-E684 WeakPolarHBondContact CE-OE2 3.23Å; K662-E684 IonicContact NZ-OE2 2.61Å; K662-E684 PolarHBondContact NZ-OE2 2.93Å |
| 663 | G | 66.2 | Low | 70.3 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 121.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G643 N678 K682 G683 E684 | G643-G663 CarbonylContact O-C 2.97Å; G643-G663 VanDerWaalsContact O-CA 3.29Å; G643-G663 WeakPolarHBondContact O-CA 3.35Å; G663-N678 PolarHBondContact O-ND2 2.89Å; G663-K682 PolarHBondContact N-O 3.22Å; G663-K682 VanDerWaalsContact N-O 3.07Å; G663-G683 CarbonylContact O-C 3.55Å; G663-G683 WeakPolarHBondContact O-CA 2.98Å; G663-E684 PolarHBondContact O-N 3.3Å |
| 664 | E | 69.4 | Low | 70.5 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 143 | 163.3 | -74.8 | 130.3 | -129 | 0 | 0 | 109.3 | K642 G643 E644 G645 N658 K662 E684 | K642-E664 WeakPolarHBondContact CE-OE1 3.49Å; K642-E664 VanDerWaalsContact NZ-CD 3.32Å; K642-E664 IonicContact NZ-OE1 2.69Å; K642-E664 PolarHBondContact NZ-OE1 3.35Å; K642-E664 IonicContact NZ-OE2 3.25Å; K642-E664 PolarHBondContact NZ-OE2 2.77Å; G643-E664 PolarHBondContact O-N 2.94Å; E644-E664 CarbonylContact C-O 3.58Å; E644-E664 HydrophobicContact CG-CB 4.13Å; E644-E664 VanDerWaalsContact CG-OE2 3.25Å; E644-E664 WeakPolarHBondContact CG-OE2 3.33Å; G645-E664 WeakPolarHBondContact CA-O 3.37Å; G645-E664 PolarHBondContact N-O 2.77Å; G645-E664 VanDerWaalsContact N-O 3.14Å; N658-E664 PolarHBondContact ND2-O 2.91Å; K662-E664 IonicContact NZ-OE1 2.82Å; K662-E664 PolarHBondContact NZ-OE1 3.32Å; E664-E684 CarbonylContact C-O 3.09Å; E664-E684 HydrophobicContact CG-CB 3.67Å |
| 665 | G | 67 | Low | 70.2 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -93.2 | 164 | -160.5 | 0 | 0 | 0 | 0 | 0 | 113 | G645 N678 E684 G685 | G645-G665 WeakPolarHBondContact CA-O 3.29Å; G665-N678 WeakPolarHBondContact CA-ND2 3.4Å; G665-N678 PolarHBondContact N-ND2 3.04Å; G665-E684 WeakPolarHBondContact CA-O 3.48Å; G665-E684 PolarHBondContact N-O 2.95Å; G665-G685 CarbonylContact C-O 3.56Å |
| 666 | P | 71.6 | Confident | 70.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 154.7 | -175.8 | 16.2 | -2.3 | 0 | 0 | 0 | 113 | A646 A656 A676 Q677 Q687 | A646-P666 VanDerWaalsContact O-CA 3.3Å; A646-P666 WeakPolarHBondContact O-CA 3.41Å; A646-P666 WeakPolarHBondContact O-CB 3.33Å; A656-P666 HydrophobicContact CB-CB 3.55Å; A656-P666 HydrophobicContact CB-CG 3.88Å; A656-P666 WeakPolarHBondContact O-CG 3.5Å; P666-A676 HydrophobicContact CB-CB 4.22Å; P666-A676 HydrophobicContact CG-CB 4Å; P666-A676 WeakPolarHBondContact O-CB 2.81Å; P666-Q677 WeakPolarHBondContact CD-O 3.29Å; P666-Q677 WeakPolarHBondContact CG-O 3.34Å; P666-Q687 PolarHBondContact O-N 2.96Å |
| 667 | Q | 72.3 | Confident | 70.5 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.7 | -178.2 | -175.5 | -175.8 | 28.7 | 0 | 0 | 110.1 | A646 Q647 N648 Q669 Q687 | A646-Q667 PolarHBondContact O-N 2.89Å; Q647-Q667 WeakPolarHBondContact CA-O 3.35Å; Q647-Q667 HydrophobicContact CG-CB 4.33Å; N648-Q667 PolarHBondContact N-O 3.29Å; Q667-Q669 HydrophobicContact CG-CG 4.3Å; Q667-Q687 WeakPolarHBondContact CA-O 3.32Å; Q667-Q687 HydrophobicContact CB-CB 4.41Å; Q667-Q687 HydrophobicContact CG-CB 4.09Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.09Å |
| 668 | N | 72.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.4 | 175.5 | -166 | 3.4 | 0 | 0 | 0 | 109.6 | G653 G673 E674 Q687 N688 Q689 | G653-N668 PolarHBondContact O-ND2 2.65Å; N668-G673 WeakPolarHBondContact ND2-CA 3.25Å; N668-E674 PolarHBondContact ND2-N 3.1Å; N668-E674 PolarHBondContact ND2-O 2.74Å; N668-Q687 PolarHBondContact N-O 2.72Å; N668-N688 CarbonylContact O-C 3.42Å; N668-N688 WeakPolarHBondContact O-CA 3.21Å; N668-N688 PolarHBondContact O-OD1 3.15Å; N668-Q689 PolarHBondContact O-N 2.93Å |
| 669 | Q | 74.2 | Confident | 70.6 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 30% | 0.304 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 80.2 | 179.4 | -69.6 | -172.7 | -40.5 | 0 | 0 | 108.9 | N648 Q649 G650 Q667 Q689 | N648-Q669 PolarHBondContact O-N 2.95Å; Q649-Q669 WeakPolarHBondContact CA-O 3.49Å; Q649-Q669 HydrophobicContact CG-CB 4.16Å; G650-Q669 PolarHBondContact N-O 2.86Å; Q667-Q669 HydrophobicContact CG-CG 4.3Å; Q669-Q689 CarbonylContact C-O 3.53Å; Q669-Q689 WeakPolarHBondContact CA-O 3.34Å; Q669-Q689 HydrophobicContact CG-CB 4.33Å |
| 670 | A | 72.2 | Confident | 70.6 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G650 K672 Q689 G690 | G650-A670 WeakPolarHBondContact O-CA 3.39Å; A670-K672 VanDerWaalsContact C-N 3.3Å; A670-K672 WeakPolarHBondContact CB-O 3.22Å; A670-K672 PolarHBondContact O-N 2.93Å; A670-Q689 PolarHBondContact N-O 3.17Å; A670-G690 WeakPolarHBondContact O-CA 3.37Å |
| 671 | K | 71.9 | Confident | 70.7 | Confident | 124 Ų | 124 | 37.8 Ų | 37.8 | 54% | 0.539 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | -33.1 | 177.5 | -62.6 | -176.1 | 179.2 | -178.8 | 0 | 112.3 | G650 K651 K691 K692 | G650-K671 PolarHBondContact O-N 2.64Å; G650-K671 VanDerWaalsContact O-N 3.15Å; K651-K671 CarbonylContact O-C 3.54Å; K651-K671 WeakPolarHBondContact O-CA 3.39Å; K651-K671 WeakPolarHBondContact O-CB 2.92Å; K651-K671 PolarHBondContact O-N 3.29Å; K671-K691 WeakPolarHBondContact O-CB 3.42Å; K671-K691 PolarHBondContact O-N 3.31Å; K671-K692 PolarHBondContact O-N 3.14Å |
| 672 | K | 72.9 | Confident | 70.7 | Confident | 55 Ų | 55 | 35.7 Ų | 35.7 | 24% | 0.239 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.9 | 152.6 | -163.1 | -136.9 | 176.3 | -154.4 | 0 | 108.6 | K651 K652 G653 A670 E674 K692 E694 | K651-K672 PolarHBondContact O-N 3.14Å; K652-K672 CarbonylContact C-O 3.46Å; K652-K672 VanDerWaalsContact CA-O 3.27Å; K652-K672 WeakPolarHBondContact CA-O 2.99Å; K652-K672 HydrophobicContact CG-CB 4.41Å; G653-K672 PolarHBondContact N-O 2.77Å; A670-K672 VanDerWaalsContact C-N 3.3Å; A670-K672 WeakPolarHBondContact CB-O 3.22Å; A670-K672 PolarHBondContact O-N 2.93Å; K672-E674 IonicContact NZ-OE1 2.68Å; K672-E674 PolarHBondContact NZ-OE1 2.73Å; K672-K692 CarbonylContact C-O 3.4Å; K672-K692 VanDerWaalsContact CA-O 3.25Å; K672-K692 WeakPolarHBondContact CA-O 3.14Å; K672-K692 HydrophobicContact CG-CB 4.23Å; K672-K692 HydrophobicContact CG-CD 4.42Å; K672-E694 WeakPolarHBondContact CE-OE1 3.24Å; K672-E694 IonicContact NZ-OE1 3.25Å; K672-E694 PolarHBondContact NZ-OE1 2.76Å |
| 673 | G | 65.5 | Low | 70.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G653 N668 N688 K692 G693 E694 | G653-G673 CarbonylContact O-C 3.54Å; G653-G673 VanDerWaalsContact O-CA 3.3Å; G653-G673 WeakPolarHBondContact O-CA 3.5Å; N668-G673 WeakPolarHBondContact ND2-CA 3.25Å; G673-N688 PolarHBondContact O-ND2 3.16Å; G673-K692 PolarHBondContact N-O 2.62Å; G673-G693 CarbonylContact O-C 3.57Å; G673-G693 WeakPolarHBondContact O-CA 3.31Å; G673-E694 PolarHBondContact O-N 2.75Å |
| 674 | E | 70.1 | Confident | 70.6 | Confident | 53 Ų | 53 | 34.3 Ų | 34.3 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -95.8 | 161.8 | 178.1 | -50.9 | 177.8 | -170.2 | 0 | 0 | 110.5 | G653 E654 G655 N668 K672 E694 | G653-E674 PolarHBondContact O-N 2.79Å; E654-E674 HydrophobicContact CG-CB 4.1Å; E654-E674 HydrophobicContact CG-CG 4.32Å; E654-E674 VanDerWaalsContact CG-OE2 3.25Å; E654-E674 WeakPolarHBondContact CG-OE2 3.06Å; G655-E674 PolarHBondContact N-O 3.38Å; N668-E674 PolarHBondContact ND2-N 3.1Å; N668-E674 PolarHBondContact ND2-O 2.74Å; K672-E674 IonicContact NZ-OE1 2.68Å; K672-E674 PolarHBondContact NZ-OE1 2.73Å; E674-E694 WeakPolarHBondContact CB-OE2 3.38Å; E674-E694 WeakPolarHBondContact CG-OE2 3.5Å |
| 675 | G | 65.6 | Low | 70.5 | Confident | 22 Ų | 22 | 33 Ų | 33 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 129.6 | -159 | 0 | 0 | 0 | 0 | 0 | 116.6 | G655 G695 | G655-G675 WeakPolarHBondContact CA-O 3.37Å; G675-G695 WeakPolarHBondContact CA-O 3.32Å |
| 676 | A | 72.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 133.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P666 A696 Q697 | P666-A676 HydrophobicContact CB-CB 4.22Å; P666-A676 HydrophobicContact CG-CB 4Å; P666-A676 WeakPolarHBondContact O-CB 2.81Å; A676-A696 HydrophobicContact CB-CB 4.24Å; A676-A696 CarbonylContact O-C 3.49Å; A676-A696 WeakPolarHBondContact O-CA 3.26Å; A676-A696 WeakPolarHBondContact O-CB 3.37Å; A676-Q697 PolarHBondContact O-N 3.12Å |
| 677 | Q | 73.2 | Confident | 70.8 | Confident | 45 Ų | 45 | 34.5 Ų | 34.5 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.6 | -174.6 | -60.4 | -176.3 | -31.7 | 0 | 0 | 112.9 | A656 Q657 N658 P666 Q697 | A656-Q677 PolarHBondContact O-N 3.04Å; Q657-Q677 WeakPolarHBondContact CA-O 3.16Å; Q657-Q677 HydrophobicContact CG-CB 4.28Å; N658-Q677 PolarHBondContact N-O 2.74Å; P666-Q677 WeakPolarHBondContact CD-O 3.29Å; P666-Q677 WeakPolarHBondContact CG-O 3.34Å; Q677-Q697 WeakPolarHBondContact CA-O 3.38Å; Q677-Q697 HydrophobicContact CG-CB 4.3Å |
| 678 | N | 72.3 | Confident | 70.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.5 | 165.5 | -161 | -32 | 0 | 0 | 0 | 110.2 | T119 P120 N658 G663 G665 G680 E684 Q697 N698 | T119-N678 WeakPolarHBondContact O-CB 3.22Å; T119-N678 PolarHBondContact O-ND2 3.45Å; P120-N678 CarbonylContact C-O 3.57Å; P120-N678 VanDerWaalsContact C-O 3.32Å; P120-N678 CarbonylContact O-C 3.53Å; N658-N678 PolarHBondContact O-OD1 3.07Å; N658-N678 VanDerWaalsContact O-OD1 3.1Å; G663-N678 PolarHBondContact O-ND2 2.89Å; G665-N678 WeakPolarHBondContact CA-ND2 3.4Å; G665-N678 PolarHBondContact N-ND2 3.04Å; N678-G680 PolarHBondContact OD1-N 2.88Å; N678-E684 PolarHBondContact ND2-O 3.12Å; N678-E684 VanDerWaalsContact ND2-O 3.14Å; N678-Q697 PolarHBondContact N-O 3.44Å; N678-Q697 VanDerWaalsContact N-O 3.16Å; N678-N698 WeakPolarHBondContact CB-OD1 3.49Å |
| 679 | Q | 73.1 | Confident | 70.6 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 40.9 | -173.1 | -80.3 | -164.4 | -21.2 | 0 | 0 | 113.8 | I121 A122 N658 Q659 G660 Q699 | I121-Q679 CarbonylContact C-O 3.59Å; I121-Q679 VanDerWaalsContact C-O 3.28Å; I121-Q679 VanDerWaalsContact N-C 3.31Å; I121-Q679 VanDerWaalsContact N-CA 3.34Å; I121-Q679 VanDerWaalsContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CG 3.28Å; A122-Q679 CarbonylContact C-O 3.57Å; A122-Q679 VanDerWaalsContact N-C 3.28Å; A122-Q679 PolarHBondContact N-O 2.93Å; A122-Q679 WeakPolarHBondContact O-CB 3.4Å; N658-Q679 CarbonylContact O-C 3.57Å; N658-Q679 VanDerWaalsContact O-C 3.27Å; N658-Q679 WeakPolarHBondContact O-CA 3.18Å; N658-Q679 PolarHBondContact O-N 2.98Å; Q659-Q679 CarbonylContact C-O 3Å; Q659-Q679 VanDerWaalsContact CA-O 3.32Å; Q659-Q679 WeakPolarHBondContact CA-O 3.48Å; Q659-Q679 HydrophobicContact CB-CB 4.41Å; Q659-Q679 HydrophobicContact CG-CB 3.62Å; G660-Q679 PolarHBondContact N-O 2.92Å; Q679-Q699 VanDerWaalsContact NE2-OE1 3.13Å |
| 680 | G | 70.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P120 I121 N658 G660 N678 K682 | P120-G680 WeakPolarHBondContact CB-O 3.38Å; I121-G680 VanDerWaalsContact CA-C 3.44Å; I121-G680 VanDerWaalsContact CA-N 3.31Å; I121-G680 VanDerWaalsContact CA-O 3.28Å; I121-G680 WeakPolarHBondContact CA-O 3.37Å; I121-G680 WeakPolarHBondContact CG1-O 3.29Å; I121-G680 PolarHBondContact N-O 3Å; N658-G680 PolarHBondContact O-N 3.04Å; G660-G680 CarbonylContact O-C 3.52Å; G660-G680 WeakPolarHBondContact O-CA 3.15Å; N678-G680 PolarHBondContact OD1-N 2.88Å; G680-K682 VanDerWaalsContact C-N 3.25Å; G680-K682 CarbonylContact C-O 3.56Å; G680-K682 CarbonylContact O-C 3.49Å; G680-K682 WeakPolarHBondContact O-CA 3.44Å; G680-K682 PolarHBondContact O-N 2.82Å |
| 681 | K | 71.1 | Confident | 70.4 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -35.8 | -33.2 | -166.6 | -78.2 | -170.4 | -179.1 | -176.3 | 0 | 118.9 | I121 G660 K661 | I121-K681 WeakPolarHBondContact CD1-O 3.4Å; I121-K681 VanDerWaalsContact CG1-CA 3.41Å; I121-K681 WeakPolarHBondContact CG1-O 3.38Å; G660-K681 PolarHBondContact O-N 2.87Å; G660-K681 VanDerWaalsContact O-N 3.15Å; K661-K681 CarbonylContact O-C 3.19Å; K661-K681 WeakPolarHBondContact O-CA 3.13Å; K661-K681 VanDerWaalsContact O-CB 3.28Å; K661-K681 WeakPolarHBondContact O-CB 2.96Å; K661-K681 PolarHBondContact O-N 3.15Å; K661-K681 VanDerWaalsContact O-N 3.1Å |
| 682 | K | 70.8 | Confident | 70.3 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.6 | 151.8 | -164.7 | -148.2 | -178.3 | -169.4 | 0 | 105.7 | K661 K662 G663 G680 E684 K702 | K661-K682 PolarHBondContact O-N 3.1Å; K662-K682 CarbonylContact C-O 3.54Å; K662-K682 WeakPolarHBondContact CA-O 3.26Å; G663-K682 PolarHBondContact N-O 3.22Å; G663-K682 VanDerWaalsContact N-O 3.07Å; G680-K682 VanDerWaalsContact C-N 3.25Å; G680-K682 CarbonylContact C-O 3.56Å; G680-K682 CarbonylContact O-C 3.49Å; G680-K682 WeakPolarHBondContact O-CA 3.44Å; G680-K682 PolarHBondContact O-N 2.82Å; K682-E684 VanDerWaalsContact CE-OE1 3.23Å; K682-E684 WeakPolarHBondContact CE-OE1 3.43Å; K682-E684 IonicContact NZ-OE1 2.61Å; K682-E684 PolarHBondContact NZ-OE1 3.44Å; K682-K702 HydrophobicContact CG-CB 4.39Å; K682-K702 HydrophobicContact CG-CG 4.36Å |
| 683 | G | 65.7 | Low | 69.9 | Low | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -157.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T119 G663 | T119-G683 VanDerWaalsContact CB-CA 3.45Å; T119-G683 WeakPolarHBondContact CB-O 3.05Å; T119-G683 WeakPolarHBondContact CG2-O 3.33Å; G663-G683 CarbonylContact O-C 3.55Å; G663-G683 WeakPolarHBondContact O-CA 2.98Å |
| 684 | E | 69 | Low | 70 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 178.8 | 154.9 | -95.5 | 110 | -139.4 | 0 | 0 | 107.5 | H118 T119 K662 G663 E664 G665 N678 K682 | H118-E684 CarbonylContact O-C 3.55Å; T119-E684 HydrophobicContact CG2-CB 4.46Å; T119-E684 HydrophobicContact CG2-CG 4.08Å; T119-E684 PolarHBondContact O-N 3.34Å; T119-E684 VanDerWaalsContact O-O 3.1Å; K662-E684 WeakPolarHBondContact CE-OE2 3.23Å; K662-E684 IonicContact NZ-OE2 2.61Å; K662-E684 PolarHBondContact NZ-OE2 2.93Å; G663-E684 PolarHBondContact O-N 3.3Å; E664-E684 CarbonylContact C-O 3.09Å; E664-E684 HydrophobicContact CG-CB 3.67Å; G665-E684 WeakPolarHBondContact CA-O 3.48Å; G665-E684 PolarHBondContact N-O 2.95Å; N678-E684 PolarHBondContact ND2-O 3.12Å; N678-E684 VanDerWaalsContact ND2-O 3.14Å; K682-E684 VanDerWaalsContact CE-OE1 3.23Å; K682-E684 WeakPolarHBondContact CE-OE1 3.43Å; K682-E684 IonicContact NZ-OE1 2.61Å; K682-E684 PolarHBondContact NZ-OE1 3.44Å |
| 685 | G | 68 | Low | 69.8 | Low | 24 Ų | 24 | 34.3 Ų | 34.3 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | trans | 71.7 | 9.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 126.9 | H118 G665 Q687 | H118-G685 VanDerWaalsContact CA-N 3.31Å; H118-G685 CarbonylContact O-C 3.56Å; H118-G685 WeakPolarHBondContact O-CA 3Å; H118-G685 PolarHBondContact O-N 2.85Å; G665-G685 CarbonylContact C-O 3.56Å; G685-Q687 PolarHBondContact O-N 3.36Å | ||
| 686 | A | 71.6 | Confident | 70.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -78.8 | 116.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | H118 N698 Q707 | H118-A686 PolarHBondContact O-N 3.39Å; A686-N698 WeakPolarHBondContact CB-OD1 3.24Å; A686-Q707 PolarHBondContact O-N 2.71Å; A686-Q707 VanDerWaalsContact O-N 3.12Å | ||
| 687 | Q | 71.7 | Confident | 70.2 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144.6 | -171.6 | -64.3 | -172 | -37 | 0 | 0 | 115.5 | P666 Q667 N668 G685 Q707 | P666-Q687 PolarHBondContact O-N 2.96Å; Q667-Q687 WeakPolarHBondContact CA-O 3.32Å; Q667-Q687 HydrophobicContact CB-CB 4.41Å; Q667-Q687 HydrophobicContact CG-CB 4.09Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.09Å; N668-Q687 PolarHBondContact N-O 2.72Å; G685-Q687 PolarHBondContact O-N 3.36Å; Q687-Q707 WeakPolarHBondContact CA-O 3.19Å; Q687-Q707 HydrophobicContact CG-CB 4.29Å |
| 688 | N | 69.5 | Low | 70.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134 | 166.1 | -167.7 | 7.6 | 0 | 0 | 0 | 111.9 | N668 G673 E694 Q707 S708 Q709 | N668-N688 CarbonylContact O-C 3.42Å; N668-N688 WeakPolarHBondContact O-CA 3.21Å; N668-N688 PolarHBondContact O-OD1 3.15Å; G673-N688 PolarHBondContact O-ND2 3.16Å; N688-E694 PolarHBondContact ND2-O 3.02Å; N688-Q707 PolarHBondContact N-O 3.02Å; N688-S708 CarbonylContact O-C 3.29Å; N688-S708 VanDerWaalsContact O-CA 3.25Å; N688-S708 WeakPolarHBondContact O-CA 3.48Å; N688-Q709 PolarHBondContact O-N 3.48Å |
| 689 | Q | 71.5 | Confident | 70.1 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.9 | -177 | -60.7 | 179.8 | -36.4 | 0 | 0 | 110.6 | N668 Q669 A670 Q709 | N668-Q689 PolarHBondContact O-N 2.93Å; Q669-Q689 CarbonylContact C-O 3.53Å; Q669-Q689 WeakPolarHBondContact CA-O 3.34Å; Q669-Q689 HydrophobicContact CG-CB 4.33Å; A670-Q689 PolarHBondContact N-O 3.17Å; Q689-Q709 CarbonylContact C-O 3.29Å; Q689-Q709 WeakPolarHBondContact CA-O 3.25Å; Q689-Q709 HydrophobicContact CG-CB 4.22Å |
| 690 | G | 70.4 | Confident | 70 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 25% | 0.247 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | -170.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | A670 Q709 K711 | A670-G690 WeakPolarHBondContact O-CA 3.37Å; G690-Q709 PolarHBondContact N-O 2.99Å; G690-K711 PolarHBondContact O-N 2.9Å |
| 691 | K | 72.4 | Confident | 70 | Confident | 129 Ų | 129 | 41 Ų | 41 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -49 | 166.5 | -72.8 | -165.4 | 177.4 | -168 | 0 | 110.7 | K671 K711 K712 | K671-K691 WeakPolarHBondContact O-CB 3.42Å; K671-K691 PolarHBondContact O-N 3.31Å; K691-K711 CarbonylContact O-C 3.59Å; K691-K711 WeakPolarHBondContact O-CA 3.15Å; K691-K711 WeakPolarHBondContact O-CB 3.38Å; K691-K711 PolarHBondContact O-N 2.86Å; K691-K712 PolarHBondContact O-N 3.44Å |
| 692 | K | 68.7 | Low | 70 | Confident | 80 Ų | 80 | 39.4 Ų | 39.4 | 35% | 0.348 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.2 | 161.4 | -161.8 | -162.2 | 174.5 | -158.8 | 0 | 109.5 | K671 K672 G673 K712 | K671-K692 PolarHBondContact O-N 3.14Å; K672-K692 CarbonylContact C-O 3.4Å; K672-K692 VanDerWaalsContact CA-O 3.25Å; K672-K692 WeakPolarHBondContact CA-O 3.14Å; K672-K692 HydrophobicContact CG-CB 4.23Å; K672-K692 HydrophobicContact CG-CD 4.42Å; G673-K692 PolarHBondContact N-O 2.62Å; K692-K712 WeakPolarHBondContact CA-O 3.41Å; K692-K712 VanDerWaalsContact CG-O 3.26Å; K692-K712 WeakPolarHBondContact CG-O 3.38Å |
| 693 | G | 64.4 | Low | 69.9 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 159.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G673 K712 G713 E714 | G673-G693 CarbonylContact O-C 3.57Å; G673-G693 WeakPolarHBondContact O-CA 3.31Å; G693-K712 PolarHBondContact N-O 2.94Å; G693-G713 CarbonylContact O-C 3.5Å; G693-G713 WeakPolarHBondContact O-CA 3.28Å; G693-E714 PolarHBondContact O-N 2.92Å |
| 694 | E | 67.4 | Low | 69.9 | Low | 43 Ų | 43 | 36.7 Ų | 36.7 | 20% | 0.201 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -95.7 | 155.4 | 175.1 | -67.4 | 138.5 | -140.9 | 0 | 0 | 110.2 | K672 G673 E674 N688 E714 | K672-E694 WeakPolarHBondContact CE-OE1 3.24Å; K672-E694 IonicContact NZ-OE1 3.25Å; K672-E694 PolarHBondContact NZ-OE1 2.76Å; G673-E694 PolarHBondContact O-N 2.75Å; E674-E694 WeakPolarHBondContact CB-OE2 3.38Å; E674-E694 WeakPolarHBondContact CG-OE2 3.5Å; N688-E694 PolarHBondContact ND2-O 3.02Å; E694-E714 HydrophobicContact CG-CG 4.45Å |
| 695 | G | 65.7 | Low | 69.8 | Low | 12 Ų | 12 | 34.8 Ų | 34.8 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 142.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G675 G715 | G675-G695 WeakPolarHBondContact CA-O 3.32Å; G695-G715 WeakPolarHBondContact CA-O 3.07Å |
| 696 | A | 73.1 | Confident | 69.8 | Low | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -71 | 155.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A676 V706 T716 Q717 | A676-A696 HydrophobicContact CB-CB 4.24Å; A676-A696 CarbonylContact O-C 3.49Å; A676-A696 WeakPolarHBondContact O-CA 3.26Å; A676-A696 WeakPolarHBondContact O-CB 3.37Å; A696-V706 HydrophobicContact CB-CG1 3.52Å; A696-V706 WeakPolarHBondContact O-CG1 3.25Å; A696-T716 WeakPolarHBondContact O-CA 3.26Å; A696-Q717 PolarHBondContact O-N 2.68Å |
| 697 | Q | 73.4 | Confident | 69.7 | Low | 49 Ų | 49 | 35.7 Ų | 35.7 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.4 | -173.2 | -56.1 | -178.1 | -66.5 | 0 | 0 | 114.5 | A676 Q677 N678 Q717 | A676-Q697 PolarHBondContact O-N 3.12Å; Q677-Q697 WeakPolarHBondContact CA-O 3.38Å; Q677-Q697 HydrophobicContact CG-CB 4.3Å; N678-Q697 PolarHBondContact N-O 3.44Å; N678-Q697 VanDerWaalsContact N-O 3.16Å; Q697-Q717 CarbonylContact C-O 3.55Å; Q697-Q717 VanDerWaalsContact CA-O 3.29Å; Q697-Q717 WeakPolarHBondContact CA-O 3.48Å; Q697-Q717 HydrophobicContact CG-CB 4.15Å |
| 698 | N | 72.2 | Confident | 69.5 | Low | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 128 | -169 | -93.6 | 2.3 | 0 | 0 | 0 | 109.7 | T119 P120 N678 A686 E704 V706 Q717 N718 Q719 | T119-N698 VanDerWaalsContact C-OD1 3.3Å; T119-N698 PolarHBondContact N-ND2 2.96Å; T119-N698 PolarHBondContact O-OD1 2.86Å; P120-N698 VanDerWaalsContact CD-CB 3.41Å; P120-N698 WeakPolarHBondContact CD-ND2 3.48Å; P120-N698 CarbonylContact O-C 3.31Å; N678-N698 WeakPolarHBondContact CB-OD1 3.49Å; A686-N698 WeakPolarHBondContact CB-OD1 3.24Å; N698-E704 PolarHBondContact ND2-O 2.68Å; N698-E704 VanDerWaalsContact ND2-O 3.15Å; N698-V706 HydrophobicContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact ND2-CG2 3.26Å; N698-V706 WeakPolarHBondContact ND2-CG2 3.35Å; N698-Q717 PolarHBondContact N-O 3.45Å; N698-N718 WeakPolarHBondContact CB-OD1 3.44Å; N698-N718 CarbonylContact O-C 3.51Å; N698-N718 VanDerWaalsContact O-CA 3.27Å; N698-N718 WeakPolarHBondContact O-CA 3.31Å; N698-Q719 PolarHBondContact O-N 2.9Å |
| 699 | Q | 72.5 | Confident | 69.6 | Low | 60 Ų | 60 | 37.6 Ų | 37.6 | 28% | 0.28 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 73.8 | -160.4 | -63.5 | 179.5 | -22.8 | 0 | 0 | 118 | P120 I121 Q679 Q719 | P120-Q699 PolarHBondContact O-N 2.93Å; I121-Q699 VanDerWaalsContact CB-O 3.25Å; I121-Q699 WeakPolarHBondContact CB-O 2.98Å; I121-Q699 WeakPolarHBondContact CG2-O 3.27Å; Q679-Q699 VanDerWaalsContact NE2-OE1 3.13Å; Q699-Q719 CarbonylContact C-O 3.54Å; Q699-Q719 HydrophobicContact CG-CG 4.42Å |
| 700 | G | 70.6 | Confident | 69.3 | Low | 16 Ų | 16 | 35.5 Ų | 35.5 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.2 | -140.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | I121 K702 A703 Q719 G720 K721 | I121-G700 WeakPolarHBondContact CD1-O 3.47Å; I121-G700 VanDerWaalsContact CG2-CA 3.42Å; G700-K702 PolarHBondContact O-N 3.14Å; G700-A703 VanDerWaalsContact O-CB 3.27Å; G700-A703 WeakPolarHBondContact O-CB 3.48Å; G700-Q719 WeakPolarHBondContact CA-O 3.12Å; G700-Q719 PolarHBondContact N-O 3.42Å; G700-G720 VanDerWaalsContact C-CA 3.4Å; G700-G720 WeakPolarHBondContact O-CA 3.44Å; G700-K721 PolarHBondContact O-N 2.81Å |
| 701 | K | 70.9 | Confident | 69.1 | Low | 120 Ų | 120 | 40.4 Ų | 40.4 | 52% | 0.522 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -23.6 | -75.9 | -170.8 | -66.4 | -158.9 | 178.7 | -163.9 | 0 | 119.6 | I121 K721 K722 | I121-K701 HydrophobicContact CD1-CB 4.02Å; I121-K701 HydrophobicContact CG1-CB 4.44Å; K701-K721 WeakPolarHBondContact O-CA 3.47Å; K701-K721 VanDerWaalsContact O-CB 3.25Å; K701-K721 WeakPolarHBondContact O-CB 3.43Å; K701-K721 PolarHBondContact O-N 2.82Å; K701-K721 VanDerWaalsContact O-N 3.13Å; K701-K722 PolarHBondContact O-N 3.01Å; K701-K722 VanDerWaalsContact O-N 3.16Å |
| 702 | K | 69.7 | Low | 68.8 | Low | 66 Ų | 66 | 40 Ų | 40 | 29% | 0.287 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 110.4 | 170.8 | 170 | 154.3 | 170.2 | 118.9 | 0 | 111.2 | T119 P120 I121 K682 G700 E704 K722 D724 | T119-K702 PolarHBondContact OG1-O 3.05Å; P120-K702 WeakPolarHBondContact CG-O 3.39Å; I121-K702 WeakPolarHBondContact CD1-O 3.44Å; K682-K702 HydrophobicContact CG-CB 4.39Å; K682-K702 HydrophobicContact CG-CG 4.36Å; G700-K702 PolarHBondContact O-N 3.14Å; K702-E704 WeakPolarHBondContact CE-OE1 2.87Å; K702-E704 WeakPolarHBondContact CE-OE2 3.04Å; K702-E704 IonicContact NZ-OE1 2.64Å; K702-E704 PolarHBondContact NZ-OE1 2.82Å; K702-E704 IonicContact NZ-OE2 3.62Å; K702-K722 CarbonylContact C-O 3.57Å; K702-K722 WeakPolarHBondContact CA-O 3.11Å; K702-D724 IonicContact NZ-OD2 2.99Å; K702-D724 PolarHBondContact NZ-OD2 3.41Å |
| 703 | A | 68.6 | Low | 68.4 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -135.3 | 84.8 | -152.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T119 P120 G700 N718 Q719 K722 G723 | T119-A703 WeakPolarHBondContact OG1-CA 3.34Å; P120-A703 VanDerWaalsContact CG-CA 3.45Å; P120-A703 HydrophobicContact CG-CB 3.58Å; G700-A703 VanDerWaalsContact O-CB 3.27Å; G700-A703 WeakPolarHBondContact O-CB 3.48Å; A703-N718 VanDerWaalsContact C-OD1 3.31Å; A703-N718 WeakPolarHBondContact CB-OD1 3.25Å; A703-N718 PolarHBondContact O-ND2 3.08Å; A703-N718 PolarHBondContact O-OD1 2.93Å; A703-Q719 WeakPolarHBondContact CB-O 3.35Å; A703-K722 PolarHBondContact N-O 3.32Å; A703-G723 VanDerWaalsContact C-CA 3.42Å; A703-G723 CarbonylContact O-C 3.55Å; A703-G723 VanDerWaalsContact O-C 3.31Å; A703-G723 WeakPolarHBondContact O-CA 3.47Å | ||
| 704 | E | 67.7 | Low | 68.5 | Low | 18 Ų | 18 | 39.8 Ų | 39.8 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | trans | -108 | 172.3 | -170.2 | -60.5 | 153.2 | 120.2 | 0 | 0 | 111.7 | H118 T119 N698 K702 V706 N718 D724 | H118-E704 CarbonylContact C-O 3.54Å; H118-E704 VanDerWaalsContact C-O 3.29Å; H118-E704 HydrophobicContact CB-CB 3.31Å; H118-E704 HydrophobicContact CB-CG 4.46Å; H118-E704 WeakPolarHBondContact ND1-CB 3.37Å; T119-E704 HydrophobicContact CG2-CB 4.06Å; T119-E704 HydrophobicContact CG2-CG 4.4Å; T119-E704 WeakPolarHBondContact CG2-OE2 2.99Å; T119-E704 PolarHBondContact N-O 2.84Å; T119-E704 PolarHBondContact OG1-N 3.25Å; N698-E704 PolarHBondContact ND2-O 2.68Å; N698-E704 VanDerWaalsContact ND2-O 3.15Å; K702-E704 WeakPolarHBondContact CE-OE1 2.87Å; K702-E704 WeakPolarHBondContact CE-OE2 3.04Å; K702-E704 IonicContact NZ-OE1 2.64Å; K702-E704 PolarHBondContact NZ-OE1 2.82Å; K702-E704 IonicContact NZ-OE2 3.62Å; E704-V706 PolarHBondContact O-N 2.94Å; E704-N718 PolarHBondContact O-ND2 3Å; E704-D724 CarbonylContact C-O 3.57Å; E704-D724 WeakPolarHBondContact CA-O 3.26Å; E704-D724 HydrophobicContact CB-CB 4.45Å; E704-D724 WeakPolarHBondContact CB-O 3.1Å; E704-D724 HydrophobicContact CG-CB 3.91Å; E704-D724 WeakPolarHBondContact CG-OD2 2.98Å | ||
| 705 | G | 65.1 | Low | 68.3 | Low | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | 46.1 | 43.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | G117 H118 D724 G725 | G117-G705 CarbonylContact C-O 3.54Å; G117-G705 VanDerWaalsContact C-O 3.29Å; G117-G705 CarbonylContact O-C 3.44Å; G117-G705 WeakPolarHBondContact O-CA 3.35Å; H118-G705 PolarHBondContact N-O 2.9Å; H118-G705 VanDerWaalsContact ND1-CA 3.34Å; H118-G705 WeakPolarHBondContact ND1-CA 3.42Å; H118-G705 PolarHBondContact ND1-N 2.69Å; G705-D724 PolarHBondContact N-O 2.89Å; G705-G725 VanDerWaalsContact CA-O 3.26Å; G705-G725 WeakPolarHBondContact CA-O 3.41Å; G705-G725 PolarHBondContact N-O 2.9Å | ||
| 706 | V | 68.8 | Low | 68.5 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -67.6 | 139.2 | 162.8 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | A696 N698 E704 T716 N718 N726 P727 | A696-V706 HydrophobicContact CB-CG1 3.52Å; A696-V706 WeakPolarHBondContact O-CG1 3.25Å; N698-V706 HydrophobicContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact ND2-CG2 3.26Å; N698-V706 WeakPolarHBondContact ND2-CG2 3.35Å; E704-V706 PolarHBondContact O-N 2.94Å; V706-T716 HydrophobicContact CG1-CG2 3.62Å; V706-N718 HydrophobicContact CG2-CB 3.9Å; V706-N726 WeakPolarHBondContact CB-OD1 3.11Å; V706-N726 CarbonylContact O-C 3.5Å; V706-N726 WeakPolarHBondContact O-CA 3.23Å; V706-N726 PolarHBondContact O-OD1 3.04Å; V706-P727 WeakPolarHBondContact O-CD 3.26Å | ||
| 707 | Q | 69.5 | Low | 68.4 | Low | 43 Ų | 43 | 41.3 Ų | 41.3 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.7 | 175.2 | -68.3 | 171.7 | -2.8 | 0 | 0 | 112.6 | V116 G117 A686 Q687 N688 P727 | V116-Q707 PolarHBondContact O-NE2 3.27Å; G117-Q707 PolarHBondContact O-NE2 3.33Å; A686-Q707 PolarHBondContact O-N 2.71Å; A686-Q707 VanDerWaalsContact O-N 3.12Å; Q687-Q707 WeakPolarHBondContact CA-O 3.19Å; Q687-Q707 HydrophobicContact CG-CB 4.29Å; N688-Q707 PolarHBondContact N-O 3.02Å; Q707-P727 WeakPolarHBondContact CA-O 3.37Å; Q707-P727 HydrophobicContact CG-CG 4.3Å |
| 708 | S | 67.6 | Low | 68.1 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.2 | 167.2 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | N688 P727 N728 Q729 | N688-S708 CarbonylContact O-C 3.29Å; N688-S708 VanDerWaalsContact O-CA 3.25Å; N688-S708 WeakPolarHBondContact O-CA 3.48Å; S708-P727 PolarHBondContact N-O 3.15Å; S708-N728 WeakPolarHBondContact O-CA 3.07Å; S708-N728 PolarHBondContact O-OD1 2.7Å; S708-Q729 PolarHBondContact O-N 2.84Å |
| 709 | Q | 71 | Confident | 68 | Low | 81 Ų | 81 | 41.6 Ų | 41.6 | 38% | 0.379 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 90.3 | 174.6 | -61 | -177.2 | -50.8 | 0 | 0 | 109.9 | N688 Q689 G690 Q729 | N688-Q709 PolarHBondContact O-N 3.48Å; Q689-Q709 CarbonylContact C-O 3.29Å; Q689-Q709 WeakPolarHBondContact CA-O 3.25Å; Q689-Q709 HydrophobicContact CG-CB 4.22Å; G690-Q709 PolarHBondContact N-O 2.99Å; Q709-Q729 CarbonylContact C-O 3.47Å; Q709-Q729 VanDerWaalsContact CA-O 3.32Å; Q709-Q729 WeakPolarHBondContact CA-O 3.33Å; Q709-Q729 HydrophobicContact CG-CB 4.26Å |
| 710 | S | 64.8 | Low | 67.9 | Low | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.5 | -172.4 | -81.5 | 0 | 0 | 0 | 0 | 113.1 | K712 Q729 G730 | S710-K712 VanDerWaalsContact C-N 3.32Å; S710-K712 PolarHBondContact O-N 2.85Å; S710-Q729 PolarHBondContact N-O 2.61Å; S710-G730 WeakPolarHBondContact O-CA 3.36Å |
| 711 | K | 66.8 | Low | 67.7 | Low | 127 Ų | 127 | 43.6 Ų | 43.6 | 55% | 0.552 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | -33 | 177.7 | -62.5 | -166.3 | 178.9 | -170.1 | 0 | 113 | G690 K691 K731 K732 | G690-K711 PolarHBondContact O-N 2.9Å; K691-K711 CarbonylContact O-C 3.59Å; K691-K711 WeakPolarHBondContact O-CA 3.15Å; K691-K711 WeakPolarHBondContact O-CB 3.38Å; K691-K711 PolarHBondContact O-N 2.86Å; K711-K731 WeakPolarHBondContact O-CB 3.39Å; K711-K731 PolarHBondContact O-N 2.69Å; K711-K732 PolarHBondContact O-N 2.72Å |
| 712 | K | 65.7 | Low | 67.4 | Low | 119 Ų | 119 | 43.7 Ų | 43.7 | 52% | 0.517 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 113.2 | 164.3 | -178.1 | 177.3 | 179.3 | 178.9 | 0 | 109.3 | K691 K692 G693 S710 K732 | K691-K712 PolarHBondContact O-N 3.44Å; K692-K712 WeakPolarHBondContact CA-O 3.41Å; K692-K712 VanDerWaalsContact CG-O 3.26Å; K692-K712 WeakPolarHBondContact CG-O 3.38Å; G693-K712 PolarHBondContact N-O 2.94Å; S710-K712 VanDerWaalsContact C-N 3.32Å; S710-K712 PolarHBondContact O-N 2.85Å; K712-K732 VanDerWaalsContact CA-O 3.23Å; K712-K732 WeakPolarHBondContact CA-O 3.28Å |
| 713 | G | 61.7 | Low | 67.1 | Low | 4 Ų | 4 | 40.5 Ų | 40.5 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 163.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | G693 K732 G733 E734 | G693-G713 CarbonylContact O-C 3.5Å; G693-G713 WeakPolarHBondContact O-CA 3.28Å; G713-K732 PolarHBondContact N-O 3.4Å; G713-K732 VanDerWaalsContact N-O 3.15Å; G713-G733 WeakPolarHBondContact O-CA 3.23Å; G713-E734 PolarHBondContact O-N 2.88Å |
| 714 | E | 64.6 | Low | 66.9 | Low | 73 Ų | 73 | 41.9 Ų | 41.9 | 34% | 0.341 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -89.9 | 165.3 | -176.5 | -59.5 | 169.8 | -153.1 | 0 | 0 | 112 | G693 E694 | G693-E714 PolarHBondContact O-N 2.92Å; E694-E714 HydrophobicContact CG-CG 4.45Å |
| 715 | G | 63.6 | Low | 66.5 | Low | 18 Ų | 18 | 41.8 Ų | 41.8 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 131.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G695 E734 G735 | G695-G715 WeakPolarHBondContact CA-O 3.07Å; G715-E734 WeakPolarHBondContact CA-O 3.31Å; G715-G735 WeakPolarHBondContact CA-O 3.34Å |
| 716 | T | 70.8 | Confident | 66.4 | Low | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 132.8 | 172.3 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | A696 V706 N726 A736 S737 | A696-T716 WeakPolarHBondContact O-CA 3.26Å; V706-T716 HydrophobicContact CG1-CG2 3.62Å; T716-N726 WeakPolarHBondContact CB-OD1 3.38Å; T716-N726 PolarHBondContact O-ND2 3.44Å; T716-N726 PolarHBondContact OG1-OD1 3.1Å; T716-A736 CarbonylContact O-C 3.36Å; T716-A736 WeakPolarHBondContact O-CA 3.42Å; T716-S737 PolarHBondContact O-N 3.26Å |
| 717 | Q | 69.8 | Low | 66.2 | Low | 69 Ų | 69 | 43.1 Ų | 43.1 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.1 | -173 | -57.5 | -169.5 | -17.2 | 0 | 0 | 113.4 | A696 Q697 N698 | A696-Q717 PolarHBondContact O-N 2.68Å; Q697-Q717 CarbonylContact C-O 3.55Å; Q697-Q717 VanDerWaalsContact CA-O 3.29Å; Q697-Q717 WeakPolarHBondContact CA-O 3.48Å; Q697-Q717 HydrophobicContact CG-CB 4.15Å; N698-Q717 PolarHBondContact N-O 3.45Å |
| 718 | N | 68.7 | Low | 65.8 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.9 | 179.2 | -158.9 | 5.4 | 0 | 0 | 0 | 109 | N698 A703 E704 V706 S737 N738 Q739 | N698-N718 WeakPolarHBondContact CB-OD1 3.44Å; N698-N718 CarbonylContact O-C 3.51Å; N698-N718 VanDerWaalsContact O-CA 3.27Å; N698-N718 WeakPolarHBondContact O-CA 3.31Å; A703-N718 VanDerWaalsContact C-OD1 3.31Å; A703-N718 WeakPolarHBondContact CB-OD1 3.25Å; A703-N718 PolarHBondContact O-ND2 3.08Å; A703-N718 PolarHBondContact O-OD1 2.93Å; E704-N718 PolarHBondContact O-ND2 3Å; V706-N718 HydrophobicContact CG2-CB 3.9Å; N718-S737 PolarHBondContact N-O 3.11Å; N718-N738 CarbonylContact O-C 3.58Å; N718-N738 VanDerWaalsContact O-CA 3.23Å; N718-N738 WeakPolarHBondContact O-CA 2.97Å; N718-N738 PolarHBondContact O-OD1 3.04Å; N718-Q739 PolarHBondContact O-N 2.96Å |
| 719 | Q | 70 | Confident | 65.7 | Low | 55 Ų | 55 | 44.3 Ų | 44.3 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.2 | -175.4 | -45.9 | 178.9 | -12.1 | 0 | 0 | 109.9 | N698 Q699 G700 A703 Q739 | N698-Q719 PolarHBondContact O-N 2.9Å; Q699-Q719 CarbonylContact C-O 3.54Å; Q699-Q719 HydrophobicContact CG-CG 4.42Å; G700-Q719 WeakPolarHBondContact CA-O 3.12Å; G700-Q719 PolarHBondContact N-O 3.42Å; A703-Q719 WeakPolarHBondContact CB-O 3.35Å; Q719-Q739 CarbonylContact C-O 3.55Å; Q719-Q739 WeakPolarHBondContact CA-O 3.36Å; Q719-Q739 HydrophobicContact CB-CB 4.11Å; Q719-Q739 HydrophobicContact CG-CB 4.1Å |
| 720 | G | 69.6 | Low | 65.4 | Low | 17 Ų | 17 | 41 Ų | 41 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.8 | -155.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | G700 Q739 N740 R741 | G700-G720 VanDerWaalsContact C-CA 3.4Å; G700-G720 WeakPolarHBondContact O-CA 3.44Å; G720-Q739 PolarHBondContact N-O 2.72Å; G720-N740 WeakPolarHBondContact CA-OD1 2.89Å; G720-N740 PolarHBondContact N-OD1 3.49Å; G720-R741 PolarHBondContact O-N 2.87Å |
| 721 | K | 65.8 | Low | 65.3 | Low | 100 Ų | 100 | 47.3 Ų | 47.3 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -35.2 | 174.3 | -58.9 | -167.4 | 174.4 | -166.4 | 0 | 113.8 | G700 K701 N740 R741 K742 | G700-K721 PolarHBondContact O-N 2.81Å; K701-K721 WeakPolarHBondContact O-CA 3.47Å; K701-K721 VanDerWaalsContact O-CB 3.25Å; K701-K721 WeakPolarHBondContact O-CB 3.43Å; K701-K721 PolarHBondContact O-N 2.82Å; K701-K721 VanDerWaalsContact O-N 3.13Å; K721-N740 PolarHBondContact N-OD1 2.76Å; K721-R741 WeakPolarHBondContact O-CB 3.41Å; K721-K742 PolarHBondContact O-N 2.82Å |
| 722 | K | 66.3 | Low | 65.1 | Low | 122 Ų | 122 | 45.2 Ų | 45.2 | 53% | 0.53 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.6 | 168.4 | -77.7 | -165.5 | 172.4 | -161.9 | 0 | 106.9 | K701 K702 A703 K742 | K701-K722 PolarHBondContact O-N 3.01Å; K701-K722 VanDerWaalsContact O-N 3.16Å; K702-K722 CarbonylContact C-O 3.57Å; K702-K722 WeakPolarHBondContact CA-O 3.11Å; A703-K722 PolarHBondContact N-O 3.32Å; K722-K742 CarbonylContact C-O 3.56Å; K722-K742 WeakPolarHBondContact CA-O 3.44Å |
| 723 | G | 63.5 | Low | 64.8 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 178.6 | 118.1 | -177 | 0 | 0 | 0 | 0 | 0 | 118.7 | A703 N740 K742 T743 | A703-G723 VanDerWaalsContact C-CA 3.42Å; A703-G723 CarbonylContact O-C 3.55Å; A703-G723 VanDerWaalsContact O-C 3.31Å; A703-G723 WeakPolarHBondContact O-CA 3.47Å; G723-N740 WeakPolarHBondContact CA-ND2 3.37Å; G723-N740 PolarHBondContact O-ND2 3.37Å; G723-K742 PolarHBondContact N-O 2.86Å; G723-T743 WeakPolarHBondContact O-CA 3.4Å; G723-T743 WeakPolarHBondContact O-CB 2.9Å; G723-T743 WeakPolarHBondContact O-CG2 2.88Å; G723-T743 PolarHBondContact O-OG1 3.42Å | ||
| 724 | D | 63.4 | Low | 64.7 | Low | 29 Ų | 29 | 43.3 Ų | 43.3 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | trans | -122.9 | 121.9 | -152.2 | -31.6 | -39.4 | 0 | 0 | 0 | 109 | H118 K702 E704 G705 D744 | H118-D724 PolarHBondContact ND1-O 2.95Å; K702-D724 IonicContact NZ-OD2 2.99Å; K702-D724 PolarHBondContact NZ-OD2 3.41Å; E704-D724 CarbonylContact C-O 3.57Å; E704-D724 WeakPolarHBondContact CA-O 3.26Å; E704-D724 HydrophobicContact CB-CB 4.45Å; E704-D724 WeakPolarHBondContact CB-O 3.1Å; E704-D724 HydrophobicContact CG-CB 3.91Å; E704-D724 WeakPolarHBondContact CG-OD2 2.98Å; G705-D724 PolarHBondContact N-O 2.89Å; D724-D744 CarbonylContact C-O 3.52Å; D724-D744 VanDerWaalsContact CA-O 3.32Å; D724-D744 WeakPolarHBondContact CA-O 3.35Å; D724-D744 HydrophobicContact CB-CB 4.24Å | ||
| 725 | G | 60.4 | Low | 64.5 | Low | 15 Ų | 15 | 40.8 Ų | 40.8 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | trans | 81.3 | 131.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G705 D744 T745 | G705-G725 VanDerWaalsContact CA-O 3.26Å; G705-G725 WeakPolarHBondContact CA-O 3.41Å; G705-G725 PolarHBondContact N-O 2.9Å; G725-D744 PolarHBondContact N-O 3.02Å; G725-T745 WeakPolarHBondContact CA-O 3.38Å; G725-T745 PolarHBondContact N-O 2.75Å; G725-T745 VanDerWaalsContact N-O 3.12Å | ||
| 726 | N | 63.1 | Low | 64.6 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -153.3 | 66.2 | 163 | -173.7 | 0.3 | 0 | 0 | 0 | 113 | V706 T716 A736 S737 V746 | V706-N726 WeakPolarHBondContact CB-OD1 3.11Å; V706-N726 CarbonylContact O-C 3.5Å; V706-N726 WeakPolarHBondContact O-CA 3.23Å; V706-N726 PolarHBondContact O-OD1 3.04Å; T716-N726 WeakPolarHBondContact CB-OD1 3.38Å; T716-N726 PolarHBondContact O-ND2 3.44Å; T716-N726 PolarHBondContact OG1-OD1 3.1Å; N726-A736 WeakPolarHBondContact O-CB 3.32Å; N726-S737 PolarHBondContact ND2-O 3.42Å; N726-V746 HydrophobicContact CB-CG1 3.97Å; N726-V746 HydrophobicContact CB-CG2 4.39Å; N726-V746 WeakPolarHBondContact O-CG1 3.46Å | ||
| 727 | P | 63.6 | Low | 64.3 | Low | 30 Ų | 30 | 41.2 Ų | 41.2 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | trans | -76.6 | 125.6 | -173.2 | -16.6 | 32.7 | 0 | 0 | 0 | 115.3 | V706 Q707 S708 A747 | V706-P727 WeakPolarHBondContact O-CD 3.26Å; Q707-P727 WeakPolarHBondContact CA-O 3.37Å; Q707-P727 HydrophobicContact CG-CG 4.3Å; S708-P727 PolarHBondContact N-O 3.15Å; P727-A747 VanDerWaalsContact CA-O 3.26Å; P727-A747 WeakPolarHBondContact CA-O 3.43Å; P727-A747 WeakPolarHBondContact CB-O 3.37Å | ||
| 728 | N | 61.9 | Low | 63.9 | Low | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124 | 161.9 | -165.3 | 5.1 | 0 | 0 | 0 | 110.4 | S708 E734 N748 Q749 | S708-N728 WeakPolarHBondContact O-CA 3.07Å; S708-N728 PolarHBondContact O-OD1 2.7Å; N728-E734 PolarHBondContact ND2-O 3.02Å; N728-N748 WeakPolarHBondContact CB-OD1 3.35Å; N728-N748 PolarHBondContact N-OD1 3.43Å; N728-N748 WeakPolarHBondContact O-CA 3.34Å; N728-Q749 PolarHBondContact O-N 2.79Å; N728-Q749 VanDerWaalsContact O-N 3.08Å |
| 729 | Q | 65.5 | Low | 63.9 | Low | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.9 | -179.4 | -59.5 | -176.4 | -29.8 | 0 | 0 | 111.2 | S708 Q709 S710 Q749 | S708-Q729 PolarHBondContact O-N 2.84Å; Q709-Q729 CarbonylContact C-O 3.47Å; Q709-Q729 VanDerWaalsContact CA-O 3.32Å; Q709-Q729 WeakPolarHBondContact CA-O 3.33Å; Q709-Q729 HydrophobicContact CG-CB 4.26Å; S710-Q729 PolarHBondContact N-O 2.61Å; Q729-Q749 CarbonylContact C-O 3.6Å; Q729-Q749 VanDerWaalsContact CA-O 3.25Å; Q729-Q749 WeakPolarHBondContact CA-O 3.36Å; Q729-Q749 HydrophobicContact CG-CB 4.29Å |
| 730 | G | 63.2 | Low | 63.7 | Low | 12 Ų | 12 | 39.4 Ų | 39.4 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | trans | -174.2 | 152.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | S710 Q749 G750 T751 Q753 | S710-G730 WeakPolarHBondContact O-CA 3.36Å; G730-Q749 PolarHBondContact N-O 2.95Å; G730-G750 CarbonylContact O-C 3.55Å; G730-G750 VanDerWaalsContact O-CA 3.26Å; G730-G750 WeakPolarHBondContact O-CA 3.35Å; G730-T751 PolarHBondContact O-N 2.92Å; G730-Q753 PolarHBondContact O-NE2 3.18Å; G730-Q753 VanDerWaalsContact O-NE2 3.1Å | ||
| 731 | K | 63.6 | Low | 63.3 | Low | 137 Ų | 137 | 45 Ų | 45 | 60% | 0.596 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -68.6 | -39.1 | 178 | -73.6 | -155.9 | 173.8 | -165.3 | 0 | 112.5 | K711 T751 K752 | K711-K731 WeakPolarHBondContact O-CB 3.39Å; K711-K731 PolarHBondContact O-N 2.69Å; K731-T751 CarbonylContact O-C 3.58Å; K731-T751 WeakPolarHBondContact O-CB 3.15Å; K731-K752 PolarHBondContact O-N 3.21Å |
| 732 | K | 61.7 | Low | 63.2 | Low | 83 Ų | 83 | 45.6 Ų | 45.6 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.6 | 156.7 | -167.1 | -177.2 | -176.7 | -154.6 | 0 | 108.6 | K711 K712 G713 K752 E754 | K711-K732 PolarHBondContact O-N 2.72Å; K712-K732 VanDerWaalsContact CA-O 3.23Å; K712-K732 WeakPolarHBondContact CA-O 3.28Å; G713-K732 PolarHBondContact N-O 3.4Å; G713-K732 VanDerWaalsContact N-O 3.15Å; K732-K752 CarbonylContact C-O 3.47Å; K732-K752 VanDerWaalsContact CA-O 3.24Å; K732-K752 WeakPolarHBondContact CA-O 3.32Å; K732-K752 HydrophobicContact CG-CB 4.3Å; K732-E754 WeakPolarHBondContact CE-OE1 3.08Å; K732-E754 IonicContact NZ-OE1 3.31Å; K732-E754 PolarHBondContact NZ-OE1 2.77Å |
| 733 | G | 59.4 | Low | 62.9 | Low | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G713 K752 E754 | G713-G733 WeakPolarHBondContact O-CA 3.23Å; G733-K752 PolarHBondContact N-O 3.38Å; G733-E754 PolarHBondContact O-N 2.96Å |
| 734 | E | 60.2 | Low | 62.8 | Low | 80 Ų | 80 | 42.7 Ų | 42.7 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -87.9 | 150.2 | 163.3 | -64.3 | 159 | -146.6 | 0 | 0 | 109.2 | G713 G715 N728 | G713-E734 PolarHBondContact O-N 2.88Å; G715-E734 WeakPolarHBondContact CA-O 3.31Å; N728-E734 PolarHBondContact ND2-O 3.02Å |
| 735 | G | 61.1 | Low | 62.4 | Low | 21 Ų | 21 | 45.1 Ų | 45.1 | 22% | 0.216 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 151.4 | -157.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | G715 E754 G755 | G715-G735 WeakPolarHBondContact CA-O 3.34Å; G735-E754 WeakPolarHBondContact CA-O 3.32Å; G735-E754 PolarHBondContact N-O 3.48Å; G735-G755 WeakPolarHBondContact CA-O 3.37Å |
| 736 | A | 64.2 | Low | 62.2 | Low | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 141.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | T716 N726 V746 V756 S757 | T716-A736 CarbonylContact O-C 3.36Å; T716-A736 WeakPolarHBondContact O-CA 3.42Å; N726-A736 WeakPolarHBondContact O-CB 3.32Å; A736-V746 HydrophobicContact CB-CG1 4.22Å; A736-V756 HydrophobicContact CB-CG1 4.41Å; A736-V756 HydrophobicContact CB-CG2 4.36Å; A736-V756 CarbonylContact O-C 3.52Å; A736-V756 VanDerWaalsContact O-CA 3.23Å; A736-V756 WeakPolarHBondContact O-CA 2.77Å; A736-V756 WeakPolarHBondContact O-CG1 3.17Å; A736-S757 PolarHBondContact O-N 2.98Å |
| 737 | S | 64.7 | Low | 62.1 | Low | 25 Ų | 25 | 45.7 Ų | 45.7 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.1 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | T716 N718 N726 S757 | T716-S737 PolarHBondContact O-N 3.26Å; N718-S737 PolarHBondContact N-O 3.11Å; N726-S737 PolarHBondContact ND2-O 3.42Å; S737-S757 WeakPolarHBondContact CA-O 3.21Å |
| 738 | N | 62.6 | Low | 61.8 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 104.9 | -178.9 | -139 | -23.1 | 0 | 0 | 0 | 113.1 | N718 N740 T743 S757 N758 Q759 | N718-N738 CarbonylContact O-C 3.58Å; N718-N738 VanDerWaalsContact O-CA 3.23Å; N718-N738 WeakPolarHBondContact O-CA 2.97Å; N718-N738 PolarHBondContact O-OD1 3.04Å; N738-N740 PolarHBondContact OD1-ND2 3.38Å; N738-T743 VanDerWaalsContact ND2-CG2 3.31Å; N738-T743 WeakPolarHBondContact ND2-CG2 2.96Å; N738-S757 PolarHBondContact N-O 2.71Å; N738-N758 HydrophobicContact CB-CB 4.37Å; N738-N758 WeakPolarHBondContact CB-OD1 2.94Å; N738-N758 VanDerWaalsContact O-CA 3.28Å; N738-N758 WeakPolarHBondContact O-CA 3.23Å; N738-Q759 PolarHBondContact O-N 2.95Å |
| 739 | Q | 68.1 | Low | 61.8 | Low | 80 Ų | 80 | 47.8 Ų | 47.8 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 68.3 | -178 | -64.8 | -174.8 | -8.1 | 0 | 0 | 111.7 | N718 Q719 G720 Q759 | N718-Q739 PolarHBondContact O-N 2.96Å; Q719-Q739 CarbonylContact C-O 3.55Å; Q719-Q739 WeakPolarHBondContact CA-O 3.36Å; Q719-Q739 HydrophobicContact CB-CB 4.11Å; Q719-Q739 HydrophobicContact CG-CB 4.1Å; G720-Q739 PolarHBondContact N-O 2.72Å; Q739-Q759 HydrophobicContact CG-CB 4.49Å |
| 740 | N | 65.5 | Low | 61.4 | Low | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | trans | -113 | 171 | -172.4 | -94.5 | -43.2 | 0 | 0 | 0 | 112.6 | G720 K721 G723 N738 K742 T743 Q759 V760 | G720-N740 WeakPolarHBondContact CA-OD1 2.89Å; G720-N740 PolarHBondContact N-OD1 3.49Å; K721-N740 PolarHBondContact N-OD1 2.76Å; G723-N740 WeakPolarHBondContact CA-ND2 3.37Å; G723-N740 PolarHBondContact O-ND2 3.37Å; N738-N740 PolarHBondContact OD1-ND2 3.38Å; N740-K742 WeakPolarHBondContact CB-O 3.49Å; N740-T743 WeakPolarHBondContact CB-OG1 3.5Å; N740-T743 PolarHBondContact ND2-OG1 2.81Å; N740-T743 VanDerWaalsContact ND2-OG1 3.15Å; N740-Q759 PolarHBondContact N-O 3.01Å; N740-V760 HydrophobicContact CB-CG1 4.03Å; N740-V760 WeakPolarHBondContact O-CA 3.2Å; N740-V760 WeakPolarHBondContact O-CG1 3.01Å | ||
| 741 | R | 62.5 | Low | 61.3 | Low | 133 Ų | 133 | 47.6 Ų | 47.6 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -90.5 | -30.2 | 167.2 | -53.1 | 174.5 | -179.6 | -160 | -6.5 | 112.3 | G720 K721 K761 K762 | G720-R741 PolarHBondContact O-N 2.87Å; K721-R741 WeakPolarHBondContact O-CB 3.41Å; R741-K761 WeakPolarHBondContact O-CB 3.27Å; R741-K761 PolarHBondContact O-N 2.96Å; R741-K762 PolarHBondContact O-N 3.12Å |
| 742 | K | 63.3 | Low | 61.2 | Low | 114 Ų | 114 | 47 Ų | 47 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 135.6 | 168.8 | -67.9 | -167.3 | 172.1 | -159.5 | 0 | 108.5 | K721 K722 G723 N740 K762 | K721-K742 PolarHBondContact O-N 2.82Å; K722-K742 CarbonylContact C-O 3.56Å; K722-K742 WeakPolarHBondContact CA-O 3.44Å; G723-K742 PolarHBondContact N-O 2.86Å; N740-K742 WeakPolarHBondContact CB-O 3.49Å; K742-K762 WeakPolarHBondContact CA-O 3.25Å |
| 743 | T | 59.9 | Low | 61 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131 | 175 | -82.3 | 0 | 0 | 0 | 0 | 111.1 | G723 N738 N740 V746 K762 S763 E764 | G723-T743 WeakPolarHBondContact O-CA 3.4Å; G723-T743 WeakPolarHBondContact O-CB 2.9Å; G723-T743 WeakPolarHBondContact O-CG2 2.88Å; G723-T743 PolarHBondContact O-OG1 3.42Å; N738-T743 VanDerWaalsContact ND2-CG2 3.31Å; N738-T743 WeakPolarHBondContact ND2-CG2 2.96Å; N740-T743 WeakPolarHBondContact CB-OG1 3.5Å; N740-T743 PolarHBondContact ND2-OG1 2.81Å; N740-T743 VanDerWaalsContact ND2-OG1 3.15Å; T743-V746 HydrophobicContact CG2-CG2 3.74Å; T743-K762 PolarHBondContact N-O 2.61Å; T743-S763 WeakPolarHBondContact O-CA 3.17Å; T743-E764 PolarHBondContact O-N 3.34Å |
| 744 | D | 60.1 | Low | 60.9 | Low | 60 Ų | 60 | 45.9 Ų | 45.9 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.4 | -175.9 | -46.2 | -13.6 | 0 | 0 | 0 | 107.2 | D724 G725 | D724-D744 CarbonylContact C-O 3.52Å; D724-D744 VanDerWaalsContact CA-O 3.32Å; D724-D744 WeakPolarHBondContact CA-O 3.35Å; D724-D744 HydrophobicContact CB-CB 4.24Å; G725-D744 PolarHBondContact N-O 3.02Å |
| 745 | T | 55.5 | Low | 60.8 | Low | 81 Ų | 81 | 42.5 Ų | 42.5 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | trans | 60.3 | 123.5 | -178.9 | -54.1 | 0 | 0 | 0 | 0 | 117.8 | G725 E764 G765 | G725-T745 WeakPolarHBondContact CA-O 3.38Å; G725-T745 PolarHBondContact N-O 2.75Å; G725-T745 VanDerWaalsContact N-O 3.12Å; T745-E764 WeakPolarHBondContact CA-O 3.35Å; T745-E764 PolarHBondContact N-O 3.46Å; T745-G765 CarbonylContact C-O 3.57Å; T745-G765 VanDerWaalsContact CA-O 3.32Å; T745-G765 WeakPolarHBondContact CA-O 3.19Å | ||
| 746 | V | 57.1 | Low | 60.6 | Low | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -135.5 | 102.5 | 166.2 | -174 | 0 | 0 | 0 | 0 | 111.5 | N726 A736 T743 V756 G765 S766 P767 | N726-V746 HydrophobicContact CB-CG1 3.97Å; N726-V746 HydrophobicContact CB-CG2 4.39Å; N726-V746 WeakPolarHBondContact O-CG1 3.46Å; A736-V746 HydrophobicContact CB-CG1 4.22Å; T743-V746 HydrophobicContact CG2-CG2 3.74Å; V746-V756 HydrophobicContact CB-CG1 4.09Å; V746-V756 HydrophobicContact CG1-CB 4.45Å; V746-V756 HydrophobicContact CG1-CG1 3.52Å; V746-V756 HydrophobicContact CG1-CG2 4.04Å; V746-G765 PolarHBondContact N-O 3.16Å; V746-S766 CarbonylContact O-C 3.59Å; V746-S766 WeakPolarHBondContact O-CA 3.02Å; V746-P767 WeakPolarHBondContact O-CD 2.96Å | ||
| 747 | A | 59.6 | Low | 60.3 | Low | 26 Ų | 26 | 43.5 Ų | 43.5 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | trans | -105.1 | 109.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P727 P767 | P727-A747 VanDerWaalsContact CA-O 3.26Å; P727-A747 WeakPolarHBondContact CA-O 3.43Å; P727-A747 WeakPolarHBondContact CB-O 3.37Å; A747-P767 WeakPolarHBondContact CA-O 3.43Å; A747-P767 HydrophobicContact CB-CG 4.05Å | ||
| 748 | N | 58.2 | Low | 59.9 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 140.5 | 169.6 | -86.8 | 17.9 | 0 | 0 | 0 | 110.9 | N728 Q753 V756 P767 N768 Q769 | N728-N748 WeakPolarHBondContact CB-OD1 3.35Å; N728-N748 PolarHBondContact N-OD1 3.43Å; N728-N748 WeakPolarHBondContact O-CA 3.34Å; N748-Q753 PolarHBondContact ND2-OE1 2.84Å; N748-V756 HydrophobicContact CB-CG2 4.17Å; N748-P767 PolarHBondContact N-O 2.97Å; N748-N768 WeakPolarHBondContact CB-OD1 3.39Å; N748-N768 WeakPolarHBondContact O-CA 3.42Å; N748-N768 PolarHBondContact O-OD1 3.27Å; N748-Q769 PolarHBondContact O-N 3.13Å |
| 749 | Q | 61.3 | Low | 59.8 | Low | 75 Ų | 75 | 47 Ų | 47 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 128.1 | -178.5 | -64 | -178.2 | -18 | 0 | 0 | 112.9 | N728 Q729 G730 Q769 | N728-Q749 PolarHBondContact O-N 2.79Å; N728-Q749 VanDerWaalsContact O-N 3.08Å; Q729-Q749 CarbonylContact C-O 3.6Å; Q729-Q749 VanDerWaalsContact CA-O 3.25Å; Q729-Q749 WeakPolarHBondContact CA-O 3.36Å; Q729-Q749 HydrophobicContact CG-CB 4.29Å; G730-Q749 PolarHBondContact N-O 2.95Å; Q749-Q769 CarbonylContact C-O 3.53Å; Q749-Q769 WeakPolarHBondContact CA-O 3.46Å; Q749-Q769 HydrophobicContact CG-CB 4.33Å |
| 750 | G | 58.6 | Low | 59.2 | Low | 22 Ų | 22 | 43.6 Ų | 43.6 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -168.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G730 K752 Q769 G770 | G730-G750 CarbonylContact O-C 3.55Å; G730-G750 VanDerWaalsContact O-CA 3.26Å; G730-G750 WeakPolarHBondContact O-CA 3.35Å; G750-K752 PolarHBondContact O-N 2.64Å; G750-Q769 PolarHBondContact N-O 3.15Å; G750-G770 WeakPolarHBondContact O-CA 3.41Å |
| 751 | T | 60.3 | Low | 58.8 | Low | 53 Ų | 53 | 49.6 Ų | 49.6 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -39.6 | -156.5 | -36.3 | 0 | 0 | 0 | 0 | 113.6 | G730 K731 K771 K772 | G730-T751 PolarHBondContact O-N 2.92Å; K731-T751 CarbonylContact O-C 3.58Å; K731-T751 WeakPolarHBondContact O-CB 3.15Å; T751-K771 HydrophobicContact CG2-CB 4.05Å; T751-K771 HydrophobicContact CG2-CD 3.89Å; T751-K771 HydrophobicContact CG2-CG 4.01Å; T751-K771 WeakPolarHBondContact O-CB 3.47Å; T751-K771 PolarHBondContact O-N 3.31Å; T751-K772 PolarHBondContact O-N 3.12Å |
| 752 | K | 60.3 | Low | 58.6 | Low | 124 Ų | 124 | 46.2 Ų | 46.2 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 124 | 167.8 | -64.4 | -169.8 | 177.1 | -172.7 | 0 | 108.2 | K731 K732 G733 G750 K772 | K731-K752 PolarHBondContact O-N 3.21Å; K732-K752 CarbonylContact C-O 3.47Å; K732-K752 VanDerWaalsContact CA-O 3.24Å; K732-K752 WeakPolarHBondContact CA-O 3.32Å; K732-K752 HydrophobicContact CG-CB 4.3Å; G733-K752 PolarHBondContact N-O 3.38Å; G750-K752 PolarHBondContact O-N 2.64Å; K752-K772 VanDerWaalsContact CA-O 3.31Å; K752-K772 WeakPolarHBondContact CA-O 3.11Å; K752-K772 HydrophobicContact CG-CB 4.26Å |
| 753 | Q | 58.1 | Low | 58.3 | Low | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.8 | 178.7 | -72.2 | -72.6 | -33.3 | 0 | 0 | 109.7 | G730 N748 K772 A773 E774 | G730-Q753 PolarHBondContact O-NE2 3.18Å; G730-Q753 VanDerWaalsContact O-NE2 3.1Å; N748-Q753 PolarHBondContact ND2-OE1 2.84Å; Q753-K772 PolarHBondContact N-O 2.96Å; Q753-K772 VanDerWaalsContact N-O 3.11Å; Q753-A773 WeakPolarHBondContact O-CA 3.33Å; Q753-E774 PolarHBondContact O-N 2.83Å |
| 754 | E | 58.7 | Low | 58 | Low | 59 Ų | 59 | 44.7 Ų | 44.7 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -86.1 | 152.1 | 165.5 | -64.2 | 157.8 | -140.5 | 0 | 0 | 108.5 | K732 G733 G735 | K732-E754 WeakPolarHBondContact CE-OE1 3.08Å; K732-E754 IonicContact NZ-OE1 3.31Å; K732-E754 PolarHBondContact NZ-OE1 2.77Å; G733-E754 PolarHBondContact O-N 2.96Å; G735-E754 WeakPolarHBondContact CA-O 3.32Å; G735-E754 PolarHBondContact N-O 3.48Å |
| 755 | G | 56.2 | Low | 57.6 | Low | 9 Ų | 9 | 42.7 Ų | 42.7 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 157 | -151.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | G735 S757 E774 A776 | G735-G755 WeakPolarHBondContact CA-O 3.37Å; G755-S757 PolarHBondContact O-N 3.02Å; G755-E774 WeakPolarHBondContact CA-O 3.36Å; G755-E774 PolarHBondContact N-O 2.82Å; G755-A776 WeakPolarHBondContact O-CB 3.28Å |
| 756 | V | 57.4 | Low | 57.6 | Low | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 121 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | A736 V746 N748 N778 | A736-V756 HydrophobicContact CB-CG1 4.41Å; A736-V756 HydrophobicContact CB-CG2 4.36Å; A736-V756 CarbonylContact O-C 3.52Å; A736-V756 VanDerWaalsContact O-CA 3.23Å; A736-V756 WeakPolarHBondContact O-CA 2.77Å; A736-V756 WeakPolarHBondContact O-CG1 3.17Å; V746-V756 HydrophobicContact CB-CG1 4.09Å; V746-V756 HydrophobicContact CG1-CB 4.45Å; V746-V756 HydrophobicContact CG1-CG1 3.52Å; V746-V756 HydrophobicContact CG1-CG2 4.04Å; N748-V756 HydrophobicContact CB-CG2 4.17Å; V756-N778 PolarHBondContact O-ND2 2.91Å |
| 757 | S | 58.3 | Low | 57.6 | Low | 36 Ų | 36 | 40.9 Ų | 40.9 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 111.1 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | A736 S737 N738 G755 P777 | A736-S757 PolarHBondContact O-N 2.98Å; S737-S757 WeakPolarHBondContact CA-O 3.21Å; N738-S757 PolarHBondContact N-O 2.71Å; G755-S757 PolarHBondContact O-N 3.02Å; S757-P777 PolarHBondContact OG-O 3.09Å |
| 758 | N | 57.3 | Low | 57.3 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.7 | 176.6 | -42.5 | -79.4 | 0 | 0 | 0 | 111.9 | N738 V760 S766 N778 Q779 | N738-N758 HydrophobicContact CB-CB 4.37Å; N738-N758 WeakPolarHBondContact CB-OD1 2.94Å; N738-N758 VanDerWaalsContact O-CA 3.28Å; N738-N758 WeakPolarHBondContact O-CA 3.23Å; N758-V760 HydrophobicContact CB-CG1 4.36Å; N758-V760 HydrophobicContact CB-CG2 3.62Å; N758-S766 PolarHBondContact ND2-OG 3.42Å; N758-S766 VanDerWaalsContact ND2-OG 3.09Å; N758-N778 WeakPolarHBondContact CB-OD1 3.42Å; N758-N778 PolarHBondContact N-OD1 3.46Å; N758-N778 PolarHBondContact ND2-OD1 2.94Å; N758-N778 CarbonylContact O-C 3.46Å; N758-N778 PolarHBondContact O-OD1 3.34Å; N758-Q779 PolarHBondContact O-N 3.13Å |
| 759 | Q | 58.8 | Low | 57.3 | Low | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | trans | -106.8 | 99.8 | 167.7 | -67.1 | -177.4 | 1.9 | 0 | 0 | 108.5 | N738 Q739 N740 | N738-Q759 PolarHBondContact O-N 2.95Å; Q739-Q759 HydrophobicContact CG-CB 4.49Å; N740-Q759 PolarHBondContact N-O 3.01Å | ||
| 760 | V | 57 | Low | 57.1 | Low | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140.7 | -160.2 | -87.5 | 0 | 0 | 0 | 0 | 113.7 | N740 N758 Q779 G780 | N740-V760 HydrophobicContact CB-CG1 4.03Å; N740-V760 WeakPolarHBondContact O-CA 3.2Å; N740-V760 WeakPolarHBondContact O-CG1 3.01Å; N758-V760 HydrophobicContact CB-CG1 4.36Å; N758-V760 HydrophobicContact CB-CG2 3.62Å; V760-Q779 PolarHBondContact N-O 3.42Å; V760-Q779 VanDerWaalsContact N-O 3.12Å; V760-G780 WeakPolarHBondContact O-CA 3.33Å |
| 761 | K | 56.7 | Low | 57 | Low | 133 Ų | 133 | 46.4 Ų | 46.4 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -37.8 | 177.7 | -63 | -169.4 | 176.7 | -170.6 | 0 | 112.9 | R741 K782 | R741-K761 WeakPolarHBondContact O-CB 3.27Å; R741-K761 PolarHBondContact O-N 2.96Å; K761-K782 PolarHBondContact O-N 3.13Å |
| 762 | K | 58.6 | Low | 56.8 | Low | 62 Ų | 62 | 46.4 Ų | 46.4 | 27% | 0.27 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.3 | 160.8 | -157.4 | -147.1 | 173 | -162 | 0 | 109 | R741 K742 T743 E764 K782 D784 | R741-K762 PolarHBondContact O-N 3.12Å; K742-K762 WeakPolarHBondContact CA-O 3.25Å; T743-K762 PolarHBondContact N-O 2.61Å; K762-E764 IonicContact NZ-OE1 2.66Å; K762-E764 PolarHBondContact NZ-OE1 2.85Å; K762-K782 WeakPolarHBondContact CA-O 3.38Å; K762-K782 HydrophobicContact CG-CB 4.43Å; K762-D784 WeakPolarHBondContact CE-OD2 3.21Å; K762-D784 IonicContact NZ-OD2 2.87Å; K762-D784 PolarHBondContact NZ-OD2 3.17Å |
| 763 | S | 55.6 | Low | 56.7 | Low | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145 | 164.7 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | T743 K783 D784 | T743-S763 WeakPolarHBondContact O-CA 3.17Å; S763-K783 WeakPolarHBondContact OG-CE 3.32Å; S763-K783 WeakPolarHBondContact OG-CG 3.47Å; S763-D784 PolarHBondContact O-N 2.93Å |
| 764 | E | 54.9 | Low | 56.6 | Low | 80 Ų | 80 | 43.8 Ų | 43.8 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.2 | 175.6 | -70.8 | 161.1 | -150.9 | 0 | 0 | 109 | T743 T745 K762 D784 | T743-E764 PolarHBondContact O-N 3.34Å; T745-E764 WeakPolarHBondContact CA-O 3.35Å; T745-E764 PolarHBondContact N-O 3.46Å; K762-E764 IonicContact NZ-OE1 2.66Å; K762-E764 PolarHBondContact NZ-OE1 2.85Å; E764-D784 WeakPolarHBondContact CG-OD2 3.2Å |
| 765 | G | 51.3 | Low | 56.4 | Low | 18 Ų | 18 | 42.7 Ų | 42.7 | 19% | 0.186 | 23% | 0.227 | C | C | . | . | trans | 52.2 | 106.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | T745 V746 P767 | T745-G765 CarbonylContact C-O 3.57Å; T745-G765 VanDerWaalsContact CA-O 3.32Å; T745-G765 WeakPolarHBondContact CA-O 3.19Å; V746-G765 PolarHBondContact N-O 3.16Å; G765-P767 WeakPolarHBondContact O-CD 3.4Å | ||
| 766 | S | 54.6 | Low | 56.3 | Low | 12 Ų | 12 | 43.2 Ų | 43.2 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | trans | -111.6 | 66.4 | 167.6 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | V746 N758 S786 | V746-S766 CarbonylContact O-C 3.59Å; V746-S766 WeakPolarHBondContact O-CA 3.02Å; N758-S766 PolarHBondContact ND2-OG 3.42Å; N758-S766 VanDerWaalsContact ND2-OG 3.09Å; S766-S786 PolarHBondContact N-OG 2.9Å | ||
| 767 | P | 57.3 | Low | 56.1 | Low | 30 Ų | 30 | 46.8 Ų | 46.8 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | trans | -65.3 | 137.5 | -175.9 | 26.9 | -34.6 | 0 | 0 | 0 | 113.2 | V746 A747 N748 G765 P787 | V746-P767 WeakPolarHBondContact O-CD 2.96Å; A747-P767 WeakPolarHBondContact CA-O 3.43Å; A747-P767 HydrophobicContact CB-CG 4.05Å; N748-P767 PolarHBondContact N-O 2.97Å; G765-P767 WeakPolarHBondContact O-CD 3.4Å; P767-P787 WeakPolarHBondContact CA-O 3.32Å; P767-P787 HydrophobicContact CB-CG 4.33Å; P767-P787 WeakPolarHBondContact CB-O 3.43Å | ||
| 768 | N | 53.3 | Low | 55.7 | Low | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.064 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 112.7 | 177.3 | -166.3 | 6.4 | 0 | 0 | 0 | 109.6 | N748 P787 S788 Q789 | N748-N768 WeakPolarHBondContact CB-OD1 3.39Å; N748-N768 WeakPolarHBondContact O-CA 3.42Å; N748-N768 PolarHBondContact O-OD1 3.27Å; N768-P787 PolarHBondContact N-O 3.47Å; N768-S788 VanDerWaalsContact O-CA 3.22Å; N768-S788 WeakPolarHBondContact O-CA 3.43Å; N768-S788 WeakPolarHBondContact O-CB 2.95Å; N768-S788 PolarHBondContact O-OG 2.85Å; N768-Q789 PolarHBondContact O-N 3.48Å; N768-Q789 VanDerWaalsContact O-N 3.13Å |
| 769 | Q | 59 | Low | 55.5 | Low | 67 Ų | 67 | 50.6 Ų | 50.6 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.3 | -171.9 | -56.1 | 177.3 | -55.5 | 0 | 0 | 111.4 | N748 Q749 G750 Q789 | N748-Q769 PolarHBondContact O-N 3.13Å; Q749-Q769 CarbonylContact C-O 3.53Å; Q749-Q769 WeakPolarHBondContact CA-O 3.46Å; Q749-Q769 HydrophobicContact CG-CB 4.33Å; G750-Q769 PolarHBondContact N-O 3.15Å; Q769-Q789 CarbonylContact C-O 3.54Å; Q769-Q789 VanDerWaalsContact CA-O 3.28Å; Q769-Q789 WeakPolarHBondContact CA-O 3.46Å; Q769-Q789 HydrophobicContact CG-CB 4.24Å |
| 770 | G | 56.5 | Low | 55.3 | Low | 26 Ų | 26 | 46.9 Ų | 46.9 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -158.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | G750 Q789 A790 | G750-G770 WeakPolarHBondContact O-CA 3.41Å; G770-Q789 PolarHBondContact N-O 3.5Å; G770-A790 VanDerWaalsContact O-CA 3.27Å; G770-A790 WeakPolarHBondContact O-CA 3.41Å; G770-A790 WeakPolarHBondContact O-CB 3.33Å |
| 771 | K | 57.3 | Low | 55.1 | Low | 135 Ų | 135 | 53 Ų | 53 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -38.2 | 166.8 | -65.2 | -165.4 | -177.8 | -173 | 0 | 112.1 | T751 K791 K792 | T751-K771 HydrophobicContact CG2-CB 4.05Å; T751-K771 HydrophobicContact CG2-CD 3.89Å; T751-K771 HydrophobicContact CG2-CG 4.01Å; T751-K771 WeakPolarHBondContact O-CB 3.47Å; T751-K771 PolarHBondContact O-N 3.31Å; K771-K791 PolarHBondContact O-N 2.99Å; K771-K792 PolarHBondContact O-N 2.64Å |
| 772 | K | 56.4 | Low | 55 | Low | 53 Ų | 53 | 52.9 Ų | 52.9 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.3 | 158.1 | -162.1 | -168.8 | -175.3 | -152.1 | 0 | 109.2 | T751 K752 Q753 E774 K792 D794 | T751-K772 PolarHBondContact O-N 3.12Å; K752-K772 VanDerWaalsContact CA-O 3.31Å; K752-K772 WeakPolarHBondContact CA-O 3.11Å; K752-K772 HydrophobicContact CG-CB 4.26Å; Q753-K772 PolarHBondContact N-O 2.96Å; Q753-K772 VanDerWaalsContact N-O 3.11Å; K772-E774 WeakPolarHBondContact CD-OE1 3.31Å; K772-E774 WeakPolarHBondContact CE-OE1 2.96Å; K772-E774 VanDerWaalsContact NZ-CD 3.3Å; K772-E774 IonicContact NZ-OE1 2.68Å; K772-E774 PolarHBondContact NZ-OE1 3.01Å; K772-K792 WeakPolarHBondContact CA-O 3.27Å; K772-K792 HydrophobicContact CG-CB 3.94Å; K772-D794 WeakPolarHBondContact CE-OD2 3.42Å; K772-D794 IonicContact NZ-OD2 2.64Å; K772-D794 PolarHBondContact NZ-OD2 3.41Å |
| 773 | A | 58 | Low | 54.5 | Low | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q753 A790 K792 V793 D794 | Q753-A773 WeakPolarHBondContact O-CA 3.33Å; A773-A790 HydrophobicContact CB-CB 3.94Å; A773-K792 PolarHBondContact N-O 3.22Å; A773-V793 WeakPolarHBondContact O-CA 3Å; A773-D794 PolarHBondContact O-N 3.28Å |
| 774 | E | 55.9 | Low | 54.2 | Low | 71 Ų | 71 | 53.7 Ų | 53.7 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 137.5 | 166.9 | -75.2 | 154.7 | -128.3 | 0 | 0 | 107.9 | Q753 G755 K772 D794 | Q753-E774 PolarHBondContact O-N 2.83Å; G755-E774 WeakPolarHBondContact CA-O 3.36Å; G755-E774 PolarHBondContact N-O 2.82Å; K772-E774 WeakPolarHBondContact CD-OE1 3.31Å; K772-E774 WeakPolarHBondContact CE-OE1 2.96Å; K772-E774 VanDerWaalsContact NZ-CD 3.3Å; K772-E774 IonicContact NZ-OE1 2.68Å; K772-E774 PolarHBondContact NZ-OE1 3.01Å; E774-D794 HydrophobicContact CG-CB 4.05Å |
| 775 | G | 53.3 | Low | 53.9 | Low | 36 Ų | 36 | 51 Ų | 51 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | trans | -74.3 | 167.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D794 | G775-D794 PolarHBondContact N-O 2.85Š| ||
| 776 | A | 54.5 | Low | 53.9 | Low | 19 Ų | 19 | 52.5 Ų | 52.5 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | trans | -133.8 | 147.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | G755 N778 | G755-A776 WeakPolarHBondContact O-CB 3.28Å; A776-N778 PolarHBondContact O-ND2 3.41Å | ||
| 777 | P | 53.3 | Low | 53.8 | Low | 83 Ų | 83 | 54.4 Ų | 54.4 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | trans | -62.1 | 141.2 | -175 | 24.5 | -34.2 | 0 | 0 | 0 | 112 | S757 | S757-P777 PolarHBondContact OG-O 3.09Š| ||
| 778 | N | 49.9 | Very low | 53.3 | Low | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 83.7 | -158.1 | -117 | -72.6 | 0 | 0 | 0 | 111.3 | V756 N758 A776 K783 N798 | V756-N778 PolarHBondContact O-ND2 2.91Å; N758-N778 WeakPolarHBondContact CB-OD1 3.42Å; N758-N778 PolarHBondContact N-OD1 3.46Å; N758-N778 PolarHBondContact ND2-OD1 2.94Å; N758-N778 CarbonylContact O-C 3.46Å; N758-N778 PolarHBondContact O-OD1 3.34Å; A776-N778 PolarHBondContact O-ND2 3.41Å; N778-K783 VanDerWaalsContact CB-NZ 3.34Å; N778-K783 PolarHBondContact O-NZ 3.13Å; N778-K783 PolarHBondContact OD1-NZ 3.26Å; N778-N798 WeakPolarHBondContact CB-OD1 3.33Å |
| 779 | Q | 54.1 | Low | 53.5 | Low | 97 Ų | 97 | 57.2 Ų | 57.2 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 139.8 | -174.5 | -65.1 | 174.6 | -9.9 | 0 | 0 | 112.9 | N758 V760 K783 Q799 | N758-Q779 PolarHBondContact O-N 3.13Å; V760-Q779 PolarHBondContact N-O 3.42Å; V760-Q779 VanDerWaalsContact N-O 3.12Å; Q779-K783 PolarHBondContact O-NZ 2.71Å; Q779-Q799 WeakPolarHBondContact CA-O 3.22Å; Q779-Q799 HydrophobicContact CG-CB 4.5Å |
| 780 | G | 54 | Low | 53.3 | Low | 20 Ų | 20 | 54.2 Ų | 54.2 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | -178.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | V760 Q799 G800 | V760-G780 WeakPolarHBondContact O-CA 3.33Å; G780-Q799 PolarHBondContact N-O 3.38Å; G780-G800 WeakPolarHBondContact O-CA 3.33Å |
| 781 | K | 53.3 | Low | 53.2 | Low | 136 Ų | 136 | 58.6 Ų | 58.6 | 59% | 0.591 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -34.8 | 179.3 | -71.4 | -154.9 | 174.1 | -162.6 | 0 | 114.9 | K802 | K781-K802 PolarHBondContact O-N 3.24Å |
| 782 | K | 52.9 | Low | 53 | Low | 130 Ų | 130 | 57.4 Ų | 57.4 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 133.9 | 171.6 | -67.9 | -168.3 | 175.5 | -168.8 | 0 | 109.2 | K761 K762 K802 | K761-K782 PolarHBondContact O-N 3.13Å; K762-K782 WeakPolarHBondContact CA-O 3.38Å; K762-K782 HydrophobicContact CG-CB 4.43Å; K782-K802 CarbonylContact C-O 3.52Å; K782-K802 WeakPolarHBondContact CA-O 3.39Å |
| 783 | K | 48.5 | Very low | 52.9 | Low | 21 Ų | 21 | 55.2 Ų | 55.2 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 137 | 175.4 | -65.7 | -167.6 | 171.1 | 176.1 | 0 | 111.9 | S763 N778 Q779 K802 E804 | S763-K783 WeakPolarHBondContact OG-CE 3.32Å; S763-K783 WeakPolarHBondContact OG-CG 3.47Å; N778-K783 VanDerWaalsContact CB-NZ 3.34Å; N778-K783 PolarHBondContact O-NZ 3.13Å; N778-K783 PolarHBondContact OD1-NZ 3.26Å; Q779-K783 PolarHBondContact O-NZ 2.71Å; K783-K802 PolarHBondContact N-O 3.21Å; K783-K802 VanDerWaalsContact N-O 3.07Å; K783-E804 PolarHBondContact O-N 3.35Å; K783-E804 VanDerWaalsContact O-N 3.15Å |
| 784 | D | 50.5 | Low | 52.8 | Low | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | trans | -95.5 | 147.3 | 169.7 | -42.8 | -36.1 | 0 | 0 | 0 | 107.1 | K762 S763 E764 | K762-D784 WeakPolarHBondContact CE-OD2 3.21Å; K762-D784 IonicContact NZ-OD2 2.87Å; K762-D784 PolarHBondContact NZ-OD2 3.17Å; S763-D784 PolarHBondContact O-N 2.93Å; E764-D784 WeakPolarHBondContact CG-OD2 3.2Å | ||
| 785 | G | 47.2 | Very low | 52.7 | Low | 22 Ų | 22 | 55.4 Ų | 55.4 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -61.6 | 151.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | P787 E804 A806 | G785-P787 WeakPolarHBondContact O-CD 3.32Å; G785-E804 VanDerWaalsContact CA-O 3.22Å; G785-E804 WeakPolarHBondContact CA-O 3.34Å; G785-A806 VanDerWaalsContact C-CB 3.5Å | ||
| 786 | S | 51.5 | Low | 52.7 | Low | 50 Ų | 50 | 55 Ų | 55 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | trans | -115.3 | 93.2 | -178.6 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | S766 S788 | S766-S786 PolarHBondContact N-OG 2.9Å; S786-S788 PolarHBondContact O-N 3.29Å | ||
| 787 | P | 53.1 | Low | 52.6 | Low | 53 Ų | 53 | 56.2 Ų | 56.2 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | trans | -71.9 | 127 | -173.4 | 26.5 | -32.3 | 0 | 0 | 0 | 111.3 | P767 N768 G785 A806 | P767-P787 WeakPolarHBondContact CA-O 3.32Å; P767-P787 HydrophobicContact CB-CG 4.33Å; P767-P787 WeakPolarHBondContact CB-O 3.43Å; N768-P787 PolarHBondContact N-O 3.47Å; G785-P787 WeakPolarHBondContact O-CD 3.32Å; P787-A806 HydrophobicContact CB-CB 4.01Å; P787-A806 HydrophobicContact CG-CB 4.43Å | ||
| 788 | S | 48 | Very low | 52.4 | Low | 16 Ų | 16 | 55.1 Ų | 55.1 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.6 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | N768 S786 A808 Q809 | N768-S788 VanDerWaalsContact O-CA 3.22Å; N768-S788 WeakPolarHBondContact O-CA 3.43Å; N768-S788 WeakPolarHBondContact O-CB 2.95Å; N768-S788 PolarHBondContact O-OG 2.85Å; S786-S788 PolarHBondContact O-N 3.29Å; S788-A808 CarbonylContact O-C 3.58Å; S788-A808 WeakPolarHBondContact O-CA 3.42Å; S788-Q809 PolarHBondContact O-N 3.24Å |
| 789 | Q | 56 | Low | 52.4 | Low | 84 Ų | 84 | 60.2 Ų | 60.2 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 95.8 | -179.9 | -78.2 | 169.4 | -20.7 | 0 | 0 | 109.4 | N768 Q769 G770 Q809 | N768-Q789 PolarHBondContact O-N 3.48Å; N768-Q789 VanDerWaalsContact O-N 3.13Å; Q769-Q789 CarbonylContact C-O 3.54Å; Q769-Q789 VanDerWaalsContact CA-O 3.28Å; Q769-Q789 WeakPolarHBondContact CA-O 3.46Å; Q769-Q789 HydrophobicContact CG-CB 4.24Å; G770-Q789 PolarHBondContact N-O 3.5Å; Q789-Q809 WeakPolarHBondContact CA-O 3.38Å; Q789-Q809 HydrophobicContact CG-CB 3.93Å |
| 790 | A | 55.4 | Low | 52.2 | Low | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 146.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | G770 A773 K792 V793 Q809 G810 | G770-A790 VanDerWaalsContact O-CA 3.27Å; G770-A790 WeakPolarHBondContact O-CA 3.41Å; G770-A790 WeakPolarHBondContact O-CB 3.33Å; A773-A790 HydrophobicContact CB-CB 3.94Å; A790-K792 VanDerWaalsContact CB-O 3.31Å; A790-K792 WeakPolarHBondContact CB-O 3.21Å; A790-K792 PolarHBondContact O-N 3.5Å; A790-K792 VanDerWaalsContact O-N 3.13Å; A790-V793 HydrophobicContact CB-CG2 3.89Å; A790-Q809 PolarHBondContact N-O 2.9Å; A790-Q809 VanDerWaalsContact N-O 3.13Å; A790-G810 WeakPolarHBondContact O-CA 3.5Å |
| 791 | K | 54.9 | Low | 52 | Low | 118 Ų | 118 | 64 Ų | 64 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | -33.9 | -179 | -73.2 | -172.6 | 172.9 | -103.5 | 0 | 113.1 | K771 Q811 K812 | K771-K791 PolarHBondContact O-N 2.99Å; K791-Q811 PolarHBondContact O-N 2.91Å; K791-K812 PolarHBondContact O-N 3.14Å |
| 792 | K | 51.8 | Low | 51.9 | Low | 109 Ų | 109 | 64.6 Ų | 64.6 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.8 | 158.4 | -86.2 | -162.8 | 168.2 | -159 | 0 | 111 | K771 K772 A773 A790 K812 | K771-K792 PolarHBondContact O-N 2.64Å; K772-K792 WeakPolarHBondContact CA-O 3.27Å; K772-K792 HydrophobicContact CG-CB 3.94Å; A773-K792 PolarHBondContact N-O 3.22Å; A790-K792 VanDerWaalsContact CB-O 3.31Å; A790-K792 WeakPolarHBondContact CB-O 3.21Å; A790-K792 PolarHBondContact O-N 3.5Å; A790-K792 VanDerWaalsContact O-N 3.13Å; K792-K812 WeakPolarHBondContact CA-O 3.48Å; K792-K812 HydrophobicContact CG-CB 4.08Å |
| 793 | V | 55.4 | Low | 51.5 | Low | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.8 | 170.5 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | A773 A790 A808 K812 A813 S814 | A773-V793 WeakPolarHBondContact O-CA 3Å; A790-V793 HydrophobicContact CB-CG2 3.89Å; V793-A808 HydrophobicContact CB-CB 4.37Å; V793-A808 HydrophobicContact CG1-CB 4.03Å; V793-A808 HydrophobicContact CG2-CB 4.5Å; V793-K812 PolarHBondContact N-O 3.3Å; V793-A813 HydrophobicContact CB-CB 4.29Å; V793-A813 CarbonylContact O-C 3.59Å; V793-A813 WeakPolarHBondContact O-CA 3.22Å; V793-S814 PolarHBondContact O-N 3.21Å |
| 794 | D | 56.1 | Low | 51.6 | Low | 42 Ų | 42 | 66.9 Ų | 66.9 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 102.7 | 175.1 | -53.3 | -0.2 | 0 | 0 | 0 | 106.8 | K772 A773 E774 G775 | K772-D794 WeakPolarHBondContact CE-OD2 3.42Å; K772-D794 IonicContact NZ-OD2 2.64Å; K772-D794 PolarHBondContact NZ-OD2 3.41Å; A773-D794 PolarHBondContact O-N 3.28Å; E774-D794 HydrophobicContact CG-CB 4.05Å; G775-D794 PolarHBondContact N-O 2.85Å |
| 795 | A | 53.8 | Low | 51.2 | Low | 33 Ų | 33 | 70.1 Ų | 70.1 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 137 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S814 V816 | A795-S814 PolarHBondContact N-O 3.15Å; A795-S814 VanDerWaalsContact N-O 3.17Å; A795-V816 WeakPolarHBondContact O-CB 3.47Å; A795-V816 VanDerWaalsContact O-CG2 3.32Å; A795-V816 WeakPolarHBondContact O-CG2 3.22Å |
| 796 | A | 53 | Low | 51.4 | Low | 29 Ų | 29 | 70.5 Ų | 70.5 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 152.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N798 | A796-N798 PolarHBondContact O-N 3.06Š|
| 797 | A | 53 | Low | 51.4 | Low | 44 Ų | 44 | 72.3 Ų | 72.3 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -65 | 131.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S818 | A797-S818 WeakPolarHBondContact CA-OG 3.32Š|
| 798 | N | 47.9 | Very low | 51.2 | Low | 60 Ų | 60 | 72.1 Ų | 72.1 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.3 | 174 | -73.2 | -62.6 | 0 | 0 | 0 | 109.7 | N778 A796 S818 | N778-N798 WeakPolarHBondContact CB-OD1 3.33Å; A796-N798 PolarHBondContact O-N 3.06Å; N798-S818 PolarHBondContact N-OG 3.07Å; N798-S818 VanDerWaalsContact N-OG 3.14Å |
| 799 | Q | 50.5 | Low | 51.5 | Low | 126 Ų | 126 | 76.8 Ų | 76.8 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.8 | 176.1 | -71.1 | -178.6 | -7.1 | 0 | 0 | 109.9 | Q779 G780 | Q779-Q799 WeakPolarHBondContact CA-O 3.22Å; Q779-Q799 HydrophobicContact CG-CB 4.5Å; G780-Q799 PolarHBondContact N-O 3.38Å |
| 800 | G | 49.2 | Very low | 51.2 | Low | 30 Ų | 30 | 74.3 Ų | 74.3 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 157.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G780 K802 | G780-G800 WeakPolarHBondContact O-CA 3.33Å; G800-K802 VanDerWaalsContact C-N 3.31Å; G800-K802 PolarHBondContact O-N 2.99Å |
| 801 | K | 51.2 | Low | 51.2 | Low | 165 Ų | 165 | 80.8 Ų | 80.8 | 72% | 0.717 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -73.8 | -16.1 | -173 | -68.3 | -149.7 | 170.9 | -150.8 | 0 | 115.1 | ||
| 802 | K | 49.5 | Very low | 50.8 | Low | 149 Ų | 149 | 82.5 Ų | 82.5 | 65% | 0.648 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -150.1 | 125.5 | 162.8 | -68.6 | -157.3 | 174.3 | -152.4 | 0 | 108.4 | K781 K782 K783 G800 | K781-K802 PolarHBondContact O-N 3.24Å; K782-K802 CarbonylContact C-O 3.52Å; K782-K802 WeakPolarHBondContact CA-O 3.39Å; K783-K802 PolarHBondContact N-O 3.21Å; K783-K802 VanDerWaalsContact N-O 3.07Å; G800-K802 VanDerWaalsContact C-N 3.31Å; G800-K802 PolarHBondContact O-N 2.99Å |
| 803 | S | 44.9 | Very low | 50.5 | Low | 55 Ų | 55 | 80 Ų | 80 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -147.2 | 120 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 804 | E | 50.4 | Low | 50.1 | Low | 145 Ų | 145 | 82.6 Ų | 82.6 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 135.8 | 167.6 | -72.7 | 168 | -160.8 | 0 | 0 | 109.2 | K783 G785 | K783-E804 PolarHBondContact O-N 3.35Å; K783-E804 VanDerWaalsContact O-N 3.15Å; G785-E804 VanDerWaalsContact CA-O 3.22Å; G785-E804 WeakPolarHBondContact CA-O 3.34Å |
| 805 | M | 43.6 | Very low | 49.6 | Very low | 130 Ų | 130 | 87.4 Ų | 87.4 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 117.5 | 174.8 | -72.3 | -179.2 | 59.9 | 0 | 0 | 109.3 | M815 | M805-M815 HydrophobicContact CE-CE 3.68Š|
| 806 | A | 50.4 | Low | 49.1 | Very low | 29 Ų | 29 | 90 Ų | 90 | 24% | 0.24 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 150 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G785 P787 | G785-A806 VanDerWaalsContact C-CB 3.5Å; P787-A806 HydrophobicContact CB-CB 4.01Å; P787-A806 HydrophobicContact CG-CB 4.43Å |
| 807 | P | 50.8 | Low | 48.5 | Very low | 88 Ų | 88 | 97 Ų | 97 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 137.6 | -175.4 | 24.2 | -34.4 | 0 | 0 | 0 | 112.8 | Q809 | P807-Q809 PolarHBondContact O-N 3.42Š|
| 808 | A | 49.6 | Very low | 47.8 | Very low | 49 Ų | 49 | 97.1 Ų | 97.1 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 97.2 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | S788 V793 G810 | S788-A808 CarbonylContact O-C 3.58Å; S788-A808 WeakPolarHBondContact O-CA 3.42Å; V793-A808 HydrophobicContact CB-CB 4.37Å; V793-A808 HydrophobicContact CG1-CB 4.03Å; V793-A808 HydrophobicContact CG2-CB 4.5Å; A808-G810 PolarHBondContact O-N 2.82Å |
| 809 | Q | 54 | Low | 47.2 | Very low | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 98.8 | 178.8 | -74.6 | 179.6 | -27.6 | 0 | 0 | 109.9 | S788 Q789 A790 P807 | S788-Q809 PolarHBondContact O-N 3.24Å; Q789-Q809 WeakPolarHBondContact CA-O 3.38Å; Q789-Q809 HydrophobicContact CG-CB 3.93Å; A790-Q809 PolarHBondContact N-O 2.9Å; A790-Q809 VanDerWaalsContact N-O 3.13Å; P807-Q809 PolarHBondContact O-N 3.42Å |
| 810 | G | 49.7 | Very low | 46.5 | Very low | 33 Ų | 33 | 103.3 Ų | 103.3 | 34% | 0.34 | 55% | 0.551 | S | S | . | * | trans | -151.3 | 147.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A790 A808 K812 | A790-G810 WeakPolarHBondContact O-CA 3.5Å; A808-G810 PolarHBondContact O-N 2.82Å; G810-K812 PolarHBondContact O-N 3.44Å | ||
| 811 | Q | 55.2 | Low | 45.7 | Very low | 141 Ų | 141 | 105.9 Ų | 105.9 | 66% | 0.659 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -23 | -179.4 | -62.4 | -169.6 | -74.5 | 0 | 0 | 112.8 | K791 | K791-Q811 PolarHBondContact O-N 2.91Š|
| 812 | K | 46.4 | Very low | 44.9 | Very low | 154 Ų | 154 | 103.9 Ų | 103.9 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -144.8 | 86.5 | 169.1 | -64.5 | -165.3 | 178.8 | -161 | 0 | 109.7 | K791 K792 V793 G810 | K791-K812 PolarHBondContact O-N 3.14Å; K792-K812 WeakPolarHBondContact CA-O 3.48Å; K792-K812 HydrophobicContact CG-CB 4.08Å; V793-K812 PolarHBondContact N-O 3.3Å; G810-K812 PolarHBondContact O-N 3.44Å |
| 813 | A | 46.6 | Very low | 44.2 | Very low | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V793 | V793-A813 HydrophobicContact CB-CB 4.29Å; V793-A813 CarbonylContact O-C 3.59Å; V793-A813 WeakPolarHBondContact O-CA 3.22Å |
| 814 | S | 47 | Very low | 43.7 | Very low | 63 Ų | 63 | 109 Ų | 109 | 44% | 0.441 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.6 | 169.3 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | V793 A795 | V793-S814 PolarHBondContact O-N 3.21Å; A795-S814 PolarHBondContact N-O 3.15Å; A795-S814 VanDerWaalsContact N-O 3.17Å |
| 815 | M | 45.6 | Very low | 42.8 | Very low | 142 Ų | 142 | 109.5 Ų | 109.5 | 70% | 0.7 | 60% | 0.598 | S | S | * | * | trans | -96.3 | 99.9 | -170.3 | -168.8 | 175.7 | -169.2 | 0 | 0 | 110.5 | M805 Q817 | M805-M815 HydrophobicContact CE-CE 3.68Å; M815-Q817 PolarHBondContact O-N 2.66Å | ||
| 816 | V | 42.9 | Very low | 42.4 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | trans | -74.3 | 113.3 | 169.7 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | A795 S818 | A795-V816 WeakPolarHBondContact O-CB 3.47Å; A795-V816 VanDerWaalsContact O-CG2 3.32Å; A795-V816 WeakPolarHBondContact O-CG2 3.22Å; V816-S818 PolarHBondContact O-N 2.87Å | ||
| 817 | Q | 40.9 | Very low | 41.7 | Very low | 175 Ų | 175 | 112.2 Ų | 112.2 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 124.1 | 177.4 | -71.9 | 178.5 | -22.8 | 0 | 0 | 110.1 | M815 | M815-Q817 PolarHBondContact O-N 2.66Š|
| 818 | S | 37 | Very low | 41 | Very low | 48 Ų | 48 | 112.9 Ų | 112.9 | 34% | 0.336 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -83.1 | 116.4 | 171.4 | -61.4 | 0 | 0 | 0 | 0 | 108.5 | A797 N798 V816 E820 | A797-S818 WeakPolarHBondContact CA-OG 3.32Å; N798-S818 PolarHBondContact N-OG 3.07Å; N798-S818 VanDerWaalsContact N-OG 3.14Å; V816-S818 PolarHBondContact O-N 2.87Å; S818-E820 PolarHBondContact O-N 3.38Å |
| 819 | Q | 36.7 | Very low | 40.6 | Very low | 190 Ų | 190 | 120.5 Ų | 120.5 | 89% | 0.888 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.7 | 171.3 | -66.8 | -176.7 | 4.7 | 0 | 0 | 109.2 | A821 | Q819-A821 PolarHBondContact O-N 3.5Š|
| 820 | E | 34.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 59% | 0.589 | 68% | 0.684 | S | S | * | * | trans | -78 | 115.4 | 177.8 | -164.6 | -178.9 | -152.2 | 0 | 0 | 109.4 | S818 K823 | S818-E820 PolarHBondContact O-N 3.38Å; E820-K823 WeakPolarHBondContact OE1-CE 3.08Å; E820-K823 IonicContact OE1-NZ 2.72Å; E820-K823 PolarHBondContact OE1-NZ 3.38Å; E820-K823 IonicContact OE2-NZ 2.66Å; E820-K823 PolarHBondContact OE2-NZ 3.17Å | ||
| 821 | A | 32.9 | Very low | 39.2 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | trans | -63.1 | 131.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q819 K823 | Q819-A821 PolarHBondContact O-N 3.5Å; A821-K823 PolarHBondContact O-N 2.66Å | ||
| 822 | P | 33.3 | Very low | 38.3 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | -60.2 | 137.7 | -165.4 | 19.8 | -32.1 | 0 | 0 | 0 | 113.4 | Q824 | P822-Q824 PolarHBondContact O-N 3.09Å; P822-Q824 VanDerWaalsContact O-N 3.17Å | ||
| 823 | K | 34.7 | Very low | 37.9 | Very low | 129 Ų | 129 | 129 Ų | 129 | 56% | 0.561 | 73% | 0.729 | S | S | * | * | trans | -80.4 | 94.4 | -179.8 | -67.8 | 154.1 | -176.8 | 147.9 | 0 | 109.1 | E820 A821 D825 | E820-K823 WeakPolarHBondContact OE1-CE 3.08Å; E820-K823 IonicContact OE1-NZ 2.72Å; E820-K823 PolarHBondContact OE1-NZ 3.38Å; E820-K823 IonicContact OE2-NZ 2.66Å; E820-K823 PolarHBondContact OE2-NZ 3.17Å; A821-K823 PolarHBondContact O-N 2.66Å; K823-D825 PolarHBondContact O-N 2.72Å; K823-D825 VanDerWaalsContact O-N 3.09Å | ||
| 824 | Q | 34.3 | Very low | 37.7 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -71 | 97.1 | 162.4 | -76.8 | -176.1 | -30.2 | 0 | 0 | 109.3 | P822 | P822-Q824 PolarHBondContact O-N 3.09Å; P822-Q824 VanDerWaalsContact O-N 3.17Å | ||
| 825 | D | 32.9 | Very low | 37.4 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -75.1 | 142.1 | 163.5 | -72.7 | -53.2 | 0 | 0 | 0 | 110 | K823 | K823-D825 PolarHBondContact O-N 2.72Å; K823-D825 VanDerWaalsContact O-N 3.09Å | ||
| 826 | A | 35.2 | Very low | 37 | Very low | 91 Ų | 91 | 143 Ų | 143 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -140.6 | 143.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 827 | P | 35.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -82.6 | 154.9 | -151.7 | -16 | 33 | 0 | 0 | 0 | 115.2 | ||||
| 828 | A | 36.7 | Very low | 37.1 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 127.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 829 | K | 40.1 | Very low | 37.3 | Very low | 209 Ų | 209 | 150 Ų | 150 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -96.9 | 114.8 | 170.3 | -71.5 | -171 | 175.1 | -176.4 | 0 | 110.9 | ||||
| 830 | K | 34.2 | Very low | 37.9 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -67.6 | 142 | 167.8 | -60.1 | 176.7 | -178.7 | 177.2 | 0 | 110.1 | ||||
| 831 | K | 41.1 | Very low | 38.8 | Very low | 216 Ų | 216 | 147.5 Ų | 147.5 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | trans | -162.1 | 143.6 | 142.5 | -114.6 | 174.4 | -178 | -175.3 | 0 | 110.4 | ||||
| 832 | S | 35.9 | Very low | 39.1 | Very low | 123 Ų | 123 | 153 Ų | 153 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -120 | 170.9 | -173.1 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 833 | G | 38.8 | Very low | 39.3 | Very low | 79 Ų | 79 | 154.5 Ų | 154.5 | 81% | 0.814 | 86% | 0.857 | S | S | * | * | trans | 92.7 | 80.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 834 | S | 41.1 | Very low | 39.6 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 85% | 0.853 | 87% | 0.873 | S | S | * | * | trans | -91.6 | 115.7 | 156.1 | -173 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 835 | R | 41.3 | Very low | 39.9 | Very low | 248 Ų | 248 | 154.3 Ų | 154.3 | 94% | 0.936 | 87% | 0.873 | S | S | * | * | trans | -75.5 | 174.6 | 170.7 | -84.7 | -175.4 | 170.3 | 179.4 | -3.2 | 111.3 | ||||
| 836 | K | 37.8 | Very low | 40.3 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 88% | 0.876 | S | S | * | * | trans | -135.3 | 133.6 | -149.6 | 176.1 | -175.8 | -179.5 | -175.5 | 0 | 111.4 | ||||
| 837 | K | 40.9 | Very low | 40.6 | Very low | 197 Ų | 197 | 158.3 Ų | 158.3 | 86% | 0.857 | 88% | 0.884 | S | S | * | * | trans | 59 | 128.2 | 171.5 | -73.9 | -172.8 | 169 | -166.8 | 0 | 117.5 | ||||
| 838 | G | 44.4 | Very low | 41 | Very low | 74 Ų | 74 | 160.5 Ų | 160.5 | 76% | 0.763 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 171 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 839 | E | 42.1 | Very low | 41.3 | Very low | 186 Ų | 186 | 164.6 Ų | 164.6 | 87% | 0.869 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 162.8 | -167.8 | -74.5 | 164.3 | 116.5 | 0 | 0 | 114.7 | ||
| 840 | P | 48.1 | Very low | 41.4 | Very low | 123 Ų | 123 | 161.2 Ų | 161.2 | 80% | 0.799 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 147.3 | 165.4 | 32.9 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 841 | V | 53.7 | Low | 42 | Very low | 141 Ų | 141 | 157.7 Ų | 157.7 | 86% | 0.855 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 134.5 | 168.9 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 842 | C | 38.4 | Very low | 42 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 100% | 1.345 | 89% | 0.886 | S | S | * | * | trans | -105.8 | 0 | 158.9 | -71.4 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 842 of 842 residues in 585.6 ms
(Link to these results)