| 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 | 47.9 | Very low | 60 | Low | 236 Ų | 236 | 135.8 Ų | 135.8 | 100% | 1.163 | 71% | 0.705 | S | S | * | * | 0 | 15.1 | 0 | -99.7 | 179.5 | 173.1 | 0 | 0 | 114.7 | |||||
| 2 | I | 53.3 | Low | 60.4 | Low | 160 Ų | 160 | 132.4 Ų | 132.4 | 82% | 0.821 | 69% | 0.688 | S | S | * | * | trans | -95.4 | -14.2 | -170 | -68.8 | 164.5 | 0 | 0 | 0 | 114.2 | ||||
| 3 | S | 58.7 | Low | 60.9 | Low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -20.9 | -170.1 | -143.2 | 0 | 0 | 0 | 0 | 116.4 | K5 | S3-K5 PolarHBondContact O-N 3.21Š|
| 4 | R | 58.8 | Low | 61.5 | Low | 232 Ų | 232 | 135.8 Ų | 135.8 | 88% | 0.875 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -9.9 | -177.1 | -74.5 | -163.5 | -161.4 | -177.8 | 6.2 | 115.2 | ||
| 5 | K | 57.4 | Low | 62 | Low | 171 Ų | 171 | 135.7 Ų | 135.7 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83.6 | -21.3 | -175.1 | -75.8 | -175.7 | 176.7 | 179.7 | 0 | 114.1 | S3 | S3-K5 PolarHBondContact O-N 3.21Å |
| 6 | N | 61.6 | Low | 62.1 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82.9 | -26.4 | -177.1 | -87.3 | 7.8 | 0 | 0 | 0 | 114.4 | T9 | N6-T9 PolarHBondContact O-OG1 2.75Å |
| 7 | D | 62.8 | Low | 62.1 | Low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.2 | -31.3 | -178.8 | -62.7 | -38.6 | 0 | 0 | 0 | 112.5 | T9 A10 A11 | D7-T9 PolarHBondContact O-N 3.03Å; D7-A10 PolarHBondContact O-N 2.72Å; D7-A11 PolarHBondContact O-N 2.96Å |
| 8 | F | 66 | Low | 62 | Low | 147 Ų | 147 | 127.6 Ų | 127.6 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.4 | -34.1 | -179.7 | -162.4 | -101.4 | 0 | 0 | 0 | 112.5 | A11 L12 | F8-A11 PolarHBondContact O-N 2.6Å; F8-L12 HydrophobicContact CD1-CD1 3.74Å; F8-L12 HydrophobicContact CE1-CD1 3.53Å; F8-L12 HydrophobicContact CE1-CG 4.28Å; F8-L12 HydrophobicContact CZ-CD1 4.46Å; F8-L12 PolarHBondContact O-N 2.82Å |
| 9 | T | 65.9 | Low | 62 | Low | 75 Ų | 75 | 127.4 Ų | 127.4 | 46% | 0.46 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72 | -28.4 | 176.3 | 42 | 0 | 0 | 0 | 0 | 112.6 | N6 D7 R13 | N6-T9 PolarHBondContact O-OG1 2.75Å; D7-T9 PolarHBondContact O-N 3.03Å; T9-R13 PolarHBondContact O-N 3.15Å |
| 10 | A | 64.9 | Low | 61.8 | Low | 60 Ų | 60 | 123.1 Ų | 123.1 | 50% | 0.496 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.7 | -41.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D7 L12 R13 N14 | D7-A10 PolarHBondContact O-N 2.72Å; A10-L12 PolarHBondContact O-N 2.97Å; A10-R13 PolarHBondContact O-N 2.84Å; A10-N14 PolarHBondContact O-N 3.39Å |
| 11 | A | 63.2 | Low | 61.7 | Low | 60 Ų | 60 | 125 Ų | 125 | 50% | 0.496 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D7 F8 N14 Q15 | D7-A11 PolarHBondContact O-N 2.96Å; F8-A11 PolarHBondContact O-N 2.6Å; A11-N14 PolarHBondContact O-N 3.04Å; A11-Q15 PolarHBondContact O-N 2.69Å |
| 12 | L | 64.3 | Low | 62.2 | Low | 95 Ų | 95 | 118.9 Ų | 118.9 | 50% | 0.497 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.3 | -35.9 | 177.8 | -83.8 | 165 | 0 | 0 | 0 | 113.3 | F8 A10 S16 | F8-L12 HydrophobicContact CD1-CD1 3.74Å; F8-L12 HydrophobicContact CE1-CD1 3.53Å; F8-L12 HydrophobicContact CE1-CG 4.28Å; F8-L12 HydrophobicContact CZ-CD1 4.46Å; F8-L12 PolarHBondContact O-N 2.82Å; A10-L12 PolarHBondContact O-N 2.97Å; L12-S16 PolarHBondContact O-N 3.35Å |
| 13 | R | 66.6 | Low | 62.2 | Low | 195 Ų | 195 | 118.7 Ų | 118.7 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.5 | -39.7 | 176 | -75.7 | -170.9 | -159.4 | 179.1 | 6.5 | 112.4 | T9 A10 S16 L17 | T9-R13 PolarHBondContact O-N 3.15Å; A10-R13 PolarHBondContact O-N 2.84Å; R13-S16 PolarHBondContact O-N 3.03Å; R13-L17 PolarHBondContact O-N 3.07Å |
| 14 | N | 69.8 | Low | 62.1 | Low | 117 Ų | 117 | 121.2 Ų | 121.2 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72 | -33.5 | -176.6 | -143.6 | -4.7 | 0 | 0 | 0 | 112.1 | A10 A11 L17 A18 | A10-N14 PolarHBondContact O-N 3.39Å; A11-N14 PolarHBondContact O-N 3.04Å; N14-L17 PolarHBondContact O-N 2.91Å; N14-A18 PolarHBondContact O-N 2.99Å |
| 15 | Q | 68.6 | Low | 61.8 | Low | 135 Ų | 135 | 115.4 Ų | 115.4 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.3 | -39.2 | 170.9 | -98.8 | -171 | -8.4 | 0 | 0 | 112.9 | A11 L17 A18 L19 | A11-Q15 PolarHBondContact O-N 2.69Å; Q15-L17 VanDerWaalsContact C-N 3.32Å; Q15-L17 PolarHBondContact O-N 3.28Å; Q15-A18 PolarHBondContact O-N 2.72Å; Q15-L19 PolarHBondContact O-N 2.95Å |
| 16 | S | 64 | Low | 61.9 | Low | 84 Ų | 84 | 112 Ų | 112 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -32.2 | 180 | -158.3 | 0 | 0 | 0 | 0 | 112.6 | L12 R13 G20 | L12-S16 PolarHBondContact O-N 3.35Å; R13-S16 PolarHBondContact O-N 3.03Å; S16-G20 PolarHBondContact O-N 2.7Å |
| 17 | L | 61.2 | Low | 62.1 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.7 | -36.3 | 174.4 | -69.4 | 173.5 | 0 | 0 | 0 | 112.3 | R13 N14 Q15 G20 F21 | R13-L17 PolarHBondContact O-N 3.07Å; N14-L17 PolarHBondContact O-N 2.91Å; Q15-L17 VanDerWaalsContact C-N 3.32Å; Q15-L17 PolarHBondContact O-N 3.28Å; L17-G20 PolarHBondContact O-N 3.11Å; L17-F21 PolarHBondContact O-N 3.39Å |
| 18 | A | 60.8 | Low | 62 | Low | 52 Ų | 52 | 110.2 Ų | 110.2 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N14 Q15 F21 I22 | N14-A18 PolarHBondContact O-N 2.99Å; Q15-A18 PolarHBondContact O-N 2.72Å; A18-F21 PolarHBondContact O-N 3.1Å; A18-I22 WeakPolarHBondContact O-CD1 3.37Å; A18-I22 WeakPolarHBondContact O-CG1 3.19Å; A18-I22 PolarHBondContact O-N 2.98Å |
| 19 | L | 61.7 | Low | 61.8 | Low | 124 Ų | 124 | 110.5 Ų | 110.5 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.6 | -35.7 | 176.7 | -71.1 | 170.4 | 0 | 0 | 0 | 112.4 | Q15 Q23 | Q15-L19 PolarHBondContact O-N 2.95Å; L19-Q23 PolarHBondContact O-N 3.39Å |
| 20 | G | 58.3 | Low | 61.6 | Low | 41 Ų | 41 | 111 Ų | 111 | 42% | 0.423 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.7 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S16 L17 Q23 Q24 | S16-G20 PolarHBondContact O-N 2.7Å; L17-G20 PolarHBondContact O-N 3.11Å; G20-Q23 PolarHBondContact O-N 3.25Å; G20-Q24 PolarHBondContact O-N 2.88Å |
| 21 | F | 60.3 | Low | 61.4 | Low | 164 Ų | 164 | 117.3 Ų | 117.3 | 72% | 0.719 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.4 | -32 | 179.8 | -115.5 | -92.6 | 0 | 0 | 0 | 113.3 | L17 A18 | L17-F21 PolarHBondContact O-N 3.39Å; A18-F21 PolarHBondContact O-N 3.1Å |
| 22 | I | 58.6 | Low | 61.6 | Low | 107 Ų | 107 | 121.9 Ų | 121.9 | 55% | 0.549 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.7 | -39.1 | 178.4 | -66.6 | 165.8 | 0 | 0 | 0 | 110.4 | A18 Q24 Q25 | A18-I22 WeakPolarHBondContact O-CD1 3.37Å; A18-I22 WeakPolarHBondContact O-CG1 3.19Å; A18-I22 PolarHBondContact O-N 2.98Å; I22-Q24 VanDerWaalsContact C-N 3.29Å; I22-Q24 PolarHBondContact O-N 3.11Å; I22-Q25 PolarHBondContact O-N 3.34Å |
| 23 | Q | 53.5 | Low | 61.4 | Low | 157 Ų | 157 | 122.9 Ų | 122.9 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.6 | -26.4 | -179.1 | -153.7 | -176.9 | 9.2 | 0 | 0 | 113.3 | L19 G20 | L19-Q23 PolarHBondContact O-N 3.39Å; G20-Q23 PolarHBondContact O-N 3.25Å |
| 24 | Q | 56.3 | Low | 61 | Low | 157 Ų | 157 | 124 Ų | 124 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.7 | -23.8 | 179.4 | -163.2 | 152.7 | -13.4 | 0 | 0 | 113.4 | G20 I22 | G20-Q24 PolarHBondContact O-N 2.88Å; I22-Q24 VanDerWaalsContact C-N 3.29Å; I22-Q24 PolarHBondContact O-N 3.11Å |
| 25 | Q | 51.6 | Low | 60.3 | Low | 111 Ų | 111 | 123 Ų | 123 | 52% | 0.519 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.7 | -35.8 | 176.4 | -74.4 | -74.9 | 0.6 | 0 | 0 | 112.5 | I22 S27 M28 Y29 | I22-Q25 PolarHBondContact O-N 3.34Å; Q25-S27 VanDerWaalsContact C-N 3.34Å; Q25-S27 PolarHBondContact O-N 2.92Å; Q25-M28 PolarHBondContact O-N 3.49Å; Q25-Y29 PolarHBondContact O-N 3.39Å |
| 26 | D | 60.1 | Low | 60.2 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.2 | -31.9 | -177.3 | -76.4 | -31.9 | 0 | 0 | 0 | 113.4 | M28 C30 | D26-M28 PolarHBondContact O-N 3.04Å; D26-C30 WeakPolarHBondContact O-CB 3.31Å; D26-C30 PolarHBondContact O-N 3.01Å; D26-C30 VanDerWaalsContact O-N 3.1Å; D26-C30 PolarHBondContact O-SG 3.33Å |
| 27 | S | 66.1 | Low | 59.9 | Low | 68 Ų | 68 | 126.5 Ų | 126.5 | 48% | 0.476 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.3 | -34.3 | 179.3 | -170.4 | 0 | 0 | 0 | 0 | 112.8 | Q25 R31 | Q25-S27 VanDerWaalsContact C-N 3.34Å; Q25-S27 PolarHBondContact O-N 2.92Å; S27-R31 PolarHBondContact O-N 3.37Å |
| 28 | M | 59.5 | Low | 59.4 | Low | 142 Ų | 142 | 124.9 Ų | 124.9 | 70% | 0.7 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.6 | -45.2 | 177.1 | -97.4 | -89.9 | -92.3 | 0 | 0 | 112 | Q25 D26 C30 R31 F32 | Q25-M28 PolarHBondContact O-N 3.49Å; D26-M28 PolarHBondContact O-N 3.04Å; M28-C30 PolarHBondContact O-N 3.41Å; M28-R31 PolarHBondContact O-N 3.18Å; M28-F32 PolarHBondContact O-N 2.92Å |
| 29 | Y | 62.2 | Low | 59 | Low | 154 Ų | 154 | 127.6 Ų | 127.6 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.3 | -36.6 | 179.5 | -88.7 | -84.9 | 0 | 0 | 0 | 112.7 | Q25 R31 F32 L33 | Q25-Y29 PolarHBondContact O-N 3.39Å; Y29-R31 VanDerWaalsContact C-N 3.32Å; Y29-R31 PolarHBondContact O-N 3.07Å; Y29-F32 PolarHBondContact O-N 3.48Å; Y29-L33 PolarHBondContact O-N 3.34Å |
| 30 | C | 61.7 | Low | 58.4 | Low | 84 Ų | 84 | 133.4 Ų | 133.4 | 57% | 0.568 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.3 | -33 | 177.8 | -71.7 | 0 | 0 | 0 | 0 | 112.9 | D26 M28 | D26-C30 WeakPolarHBondContact O-CB 3.31Å; D26-C30 PolarHBondContact O-N 3.01Å; D26-C30 VanDerWaalsContact O-N 3.1Å; D26-C30 PolarHBondContact O-SG 3.33Å; M28-C30 PolarHBondContact O-N 3.41Å |
| 31 | R | 60.5 | Low | 57.5 | Low | 193 Ų | 193 | 136 Ų | 136 | 73% | 0.728 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.2 | -38.8 | 175 | -73.2 | -175.7 | -178.4 | -175.5 | 0.9 | 112.1 | S27 M28 Y29 R34 | S27-R31 PolarHBondContact O-N 3.37Å; M28-R31 PolarHBondContact O-N 3.18Å; Y29-R31 VanDerWaalsContact C-N 3.32Å; Y29-R31 PolarHBondContact O-N 3.07Å; R31-R34 PolarHBondContact O-N 2.97Å |
| 32 | F | 67.5 | Low | 56.8 | Low | 157 Ų | 157 | 137 Ų | 137 | 69% | 0.689 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | -179.3 | -167.3 | -102.4 | 0 | 0 | 0 | 112.8 | M28 Y29 R34 S35 | M28-F32 PolarHBondContact O-N 2.92Å; Y29-F32 PolarHBondContact O-N 3.48Å; F32-R34 VanDerWaalsContact C-N 3.34Å; F32-R34 PolarHBondContact O-N 3.07Å; F32-S35 PolarHBondContact O-N 3.49Å |
| 33 | L | 60.8 | Low | 55.9 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 61% | 0.607 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70 | -28.3 | -178.6 | -75.8 | 163.1 | 0 | 0 | 0 | 113.6 | Y29 F36 | Y29-L33 PolarHBondContact O-N 3.34Å; L33-F36 PolarHBondContact O-N 2.91Å |
| 34 | R | 58.8 | Low | 55.4 | Low | 219 Ų | 219 | 137.1 Ų | 137.1 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70 | -30.4 | 178.6 | -113.3 | 179.3 | 174.3 | 172.4 | -1.5 | 113.2 | R31 F32 | R31-R34 PolarHBondContact O-N 2.97Å; F32-R34 VanDerWaalsContact C-N 3.34Å; F32-R34 PolarHBondContact O-N 3.07Å |
| 35 | S | 55.1 | Low | 54.6 | Low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -76.2 | -27 | 178.3 | -66 | 0 | 0 | 0 | 0 | 113.3 | F32 | F32-S35 PolarHBondContact O-N 3.49Å |
| 36 | F | 64.7 | Low | 54.5 | Low | 168 Ų | 168 | 142 Ų | 142 | 74% | 0.737 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -75.8 | -29.6 | -176.3 | -168 | -104.3 | 0 | 0 | 0 | 113.5 | L33 A38 | L33-F36 PolarHBondContact O-N 2.91Å; F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 3.3Å |
| 37 | V | 59.3 | Low | 53.6 | Low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -77.6 | -17.3 | -176 | 172.9 | 0 | 0 | 0 | 0 | 113.2 | S39 | V37-S39 PolarHBondContact O-N 3.26Š|
| 38 | A | 50.3 | Low | 52.7 | Low | 90 Ų | 90 | 145.3 Ų | 145.3 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -85.1 | -3.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F36 | F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 3.3Å |
| 39 | S | 53 | Low | 51.5 | Low | 109 Ų | 109 | 148.2 Ų | 148.2 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -110.5 | 9.8 | -168.2 | -157.9 | 0 | 0 | 0 | 0 | 116 | V37 | V37-S39 PolarHBondContact O-N 3.26Š|
| 40 | R | 49.4 | Very low | 50.5 | Low | 245 Ų | 245 | 151.6 Ų | 151.6 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -123.3 | 62.9 | -177.5 | -138.7 | 168.5 | -170.5 | -173.8 | 1.2 | 113.2 | ||||
| 41 | S | 37.9 | Very low | 49.4 | Very low | 95 Ų | 95 | 153.7 Ų | 153.7 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -133.9 | 104 | 165.7 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 42 | H | 45.4 | Very low | 48.4 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -170.2 | 114.7 | 130.1 | -98.7 | -65.5 | 0 | 0 | 0 | 110 | ||||
| 43 | S | 41.4 | Very low | 46.8 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -76.2 | 144.2 | 167.7 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | N | 41.2 | Very low | 46.1 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -163.6 | 104.5 | 143.2 | -115.2 | -23.4 | 0 | 0 | 0 | 110.8 | ||||
| 45 | V | 41.4 | Very low | 45.4 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 121.5 | 169.3 | 167.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 46 | R | 49.3 | Very low | 45.1 | Very low | 238 Ų | 238 | 149.3 Ų | 149.3 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -147.1 | 88.5 | 168.9 | -153.6 | 174.5 | -180 | -178.8 | -0.8 | 110.4 | ||||
| 47 | T | 39.3 | Very low | 44 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -104.2 | 130.6 | 164.5 | 30.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 48 | P | 48.3 | Very low | 43 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -121.1 | 123.4 | 146 | 31.6 | -18.4 | 0 | 0 | 0 | 108.4 | ||||
| 49 | F | 33.7 | Very low | 43 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | 47.9 | 127.7 | 88 | -105.7 | -85.9 | 0 | 0 | 0 | 114.6 | |||||
| 50 | R | 41.7 | Very low | 42.1 | Very low | 224 Ų | 224 | 151 Ų | 151 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 97.9 | 132.5 | 175.3 | -70.9 | -157.9 | 176.8 | -177.1 | 1.6 | 113.7 | ||||
| 51 | L | 39.5 | Very low | 41.8 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | 176 | 153.8 | 9 | 177.4 | 93.1 | 0 | 0 | 0 | 105.5 | ||||
| 52 | L | 39.4 | Very low | 41.7 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | trans | 86.2 | 102.1 | 148.1 | -124.8 | 78.1 | 0 | 0 | 0 | 119.3 | ||||
| 53 | C | 33.1 | Very low | 41.3 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | 45 | 107 | 123.9 | -54.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 54 | A | 45.7 | Very low | 41.2 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -130.1 | 94.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 55 | L | 44.5 | Very low | 41.4 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -80.4 | 137.8 | 158.8 | -115.5 | 166.3 | 0 | 0 | 0 | 107.1 | ||||
| 56 | Q | 49 | Very low | 41.1 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 136 | 126.1 | 165.5 | -83.2 | 161.3 | -38.9 | 0 | 0 | 108.6 | ||||
| 57 | D | 42.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -151.2 | 136.9 | 14.4 | -79 | -59.3 | 0 | 0 | 0 | 106.4 | ||||
| 58 | A | 36.7 | Very low | 41.1 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | 45.1 | 90.7 | 86.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 59 | K | 50 | Low | 41 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -156.5 | 116 | 131.7 | -164.1 | 142.2 | -177.7 | 167.3 | 0 | 111.8 | ||||
| 60 | S | 35.9 | Very low | 41.4 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -53.4 | 133.6 | 160.7 | 48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 61 | E | 41.6 | Very low | 41.6 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | -152.1 | 102.5 | 140.6 | -111.9 | 169.5 | 157.8 | 0 | 0 | 108.7 | ||||
| 62 | Q | 35.7 | Very low | 41.9 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -75 | 128.3 | 158.2 | -74.9 | 170.3 | -51.4 | 0 | 0 | 107.5 | ||||
| 63 | Q | 36.9 | Very low | 42.2 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -139.7 | 129.7 | 140.8 | -80.6 | -165 | -26 | 0 | 0 | 110.1 | ||||
| 64 | P | 39.9 | Very low | 43.1 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -79.7 | 126.6 | 173.7 | 32.7 | -29.4 | 0 | 0 | 0 | 108.5 | ||||
| 65 | V | 45.1 | Very low | 43.9 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | trans | -119.5 | 66.5 | 173.2 | -160.6 | 0 | 0 | 0 | 0 | 108.1 | Q67 | V65-Q67 HydrophobicContact CG1-CB 4.03Å; V65-Q67 HydrophobicContact CG1-CG 3.6Å; V65-Q67 PolarHBondContact O-N 3.47Å | ||
| 66 | F | 35.4 | Very low | 44.8 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -73.5 | 83.2 | 150.8 | -169.2 | -98.9 | 0 | 0 | 0 | 106.1 | E68 | F66-E68 HydrophobicContact CD1-CB 4.18Å; F66-E68 HydrophobicContact CE1-CB 3.76Å; F66-E68 HydrophobicContact CE1-CG 4.42Å; F66-E68 PolarHBondContact O-N 3.19Å | ||
| 67 | Q | 46.2 | Very low | 45.2 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 62% | 0.621 | 75% | 0.754 | S | S | * | * | trans | -88.1 | 92.2 | 164.1 | -89 | 178.1 | 30.3 | 0 | 0 | 107.4 | V65 N69 | V65-Q67 HydrophobicContact CG1-CB 4.03Å; V65-Q67 HydrophobicContact CG1-CG 3.6Å; V65-Q67 PolarHBondContact O-N 3.47Å; Q67-N69 PolarHBondContact O-N 3.44Å; Q67-N69 PolarHBondContact OE1-ND2 3.45Å | ||
| 68 | E | 41.7 | Very low | 46 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | trans | -62.5 | 74.5 | 153.4 | -169.1 | 177.3 | 156.7 | 0 | 0 | 108.3 | F66 T70 | F66-E68 HydrophobicContact CD1-CB 4.18Å; F66-E68 HydrophobicContact CE1-CB 3.76Å; F66-E68 HydrophobicContact CE1-CG 4.42Å; F66-E68 PolarHBondContact O-N 3.19Å; E68-T70 PolarHBondContact O-N 2.98Å | ||
| 69 | N | 47.3 | Very low | 46.5 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | -77 | 82.8 | 165.3 | -76.5 | -40.1 | 0 | 0 | 0 | 107.3 | Q67 A71 | Q67-N69 PolarHBondContact O-N 3.44Å; Q67-N69 PolarHBondContact OE1-ND2 3.45Å; N69-A71 PolarHBondContact O-N 3.1Å | ||
| 70 | T | 41.1 | Very low | 47 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -64 | 94 | 151.2 | -65.6 | 0 | 0 | 0 | 0 | 106.5 | E68 | E68-T70 PolarHBondContact O-N 2.98Š| ||
| 71 | A | 47.3 | Very low | 47.7 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | trans | -110.8 | 131.1 | 162 | 0 | 0 | 0 | 0 | 0 | 107.9 | N69 | N69-A71 PolarHBondContact O-N 3.1Š| ||
| 72 | P | 46 | Very low | 48.6 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -68 | 142.6 | -163.9 | -12 | 27.4 | 0 | 0 | 0 | 110.6 | K74 | P72-K74 VanDerWaalsContact C-N 3.28Å; P72-K74 PolarHBondContact O-N 2.96Å | ||
| 73 | F | 44.5 | Very low | 49.9 | Very low | 208 Ų | 208 | 133 Ų | 133 | 91% | 0.912 | 75% | 0.749 | S | S | * | * | trans | -52.4 | 89.5 | 170.8 | -70.4 | -82.6 | 0 | 0 | 0 | 110.9 | V75 | F73-V75 PolarHBondContact O-N 2.91Š| ||
| 74 | K | 52.9 | Low | 51.1 | Low | 191 Ų | 191 | 133.9 Ų | 133.9 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | -79.7 | 99.3 | 164.9 | -169.3 | 167.5 | -176.8 | -173.4 | 0 | 105.7 | P72 P76 | P72-K74 VanDerWaalsContact C-N 3.28Å; P72-K74 PolarHBondContact O-N 2.96Å; K74-P76 WeakPolarHBondContact O-CD 3.04Å; K74-P76 VanDerWaalsContact O-N 3.12Å | ||
| 75 | V | 61.2 | Low | 52.7 | Low | 125 Ų | 125 | 129.4 Ų | 129.4 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | trans | -58 | 114 | 171 | -173.4 | 0 | 0 | 0 | 0 | 106.6 | F73 | F73-V75 PolarHBondContact O-N 2.91Š| ||
| 76 | P | 63.5 | Low | 54.5 | Low | 97 Ų | 97 | 127.8 Ų | 127.8 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.8 | 176.6 | 26.4 | -31 | 0 | 0 | 0 | 108.9 | K74 | K74-P76 WeakPolarHBondContact O-CD 3.04Å; K74-P76 VanDerWaalsContact O-N 3.12Å |
| 77 | P | 57.9 | Low | 57 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.8 | 178 | 24.4 | -31.9 | 0 | 0 | 0 | 111.2 | ||
| 78 | A | 59.1 | Low | 59.1 | Low | 86 Ų | 86 | 127.6 Ų | 127.6 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -56.1 | 143.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 79 | D | 47.5 | Very low | 61.5 | Low | 157 Ų | 157 | 123.9 Ų | 123.9 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 88.7 | 82.8 | 173.6 | -45.5 | -44.3 | 0 | 0 | 0 | 116.2 | ||
| 80 | G | 59.5 | Low | 63.6 | Low | 81 Ų | 81 | 123.8 Ų | 123.8 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | trans | 94.6 | 22 | 132.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 81 | E | 52.4 | Low | 66.1 | Low | 169 Ų | 169 | 122.7 Ų | 122.7 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -89.8 | 124.8 | 171.1 | -63.7 | -162.7 | 149.9 | 0 | 0 | 111.7 | L83 | E81-L83 PolarHBondContact O-N 3.27Š| ||
| 82 | P | 59.6 | Low | 68.4 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | trans | -58 | 108.4 | 176.3 | -20.5 | 31.3 | 0 | 0 | 0 | 109.2 | E84 | P82-E84 PolarHBondContact O-N 3.17Š| ||
| 83 | L | 62.1 | Low | 70.6 | Confident | 154 Ų | 154 | 121.4 Ų | 121.4 | 81% | 0.806 | 67% | 0.67 | S | S | * | * | trans | -53.2 | 111.7 | 167.2 | -63.7 | 172.9 | 0 | 0 | 0 | 106.5 | E81 A85 | E81-L83 PolarHBondContact O-N 3.27Å; L83-A85 PolarHBondContact O-N 3.18Å | ||
| 84 | E | 63.4 | Low | 73 | Confident | 196 Ų | 196 | 115.7 Ų | 115.7 | 92% | 0.916 | 65% | 0.649 | S | S | * | * | trans | -65.8 | 84.4 | 178.1 | -66.7 | -161.4 | 159.4 | 0 | 0 | 108.7 | P82 | P82-E84 PolarHBondContact O-N 3.17Š| ||
| 85 | A | 72.2 | Confident | 75 | Confident | 33 Ų | 33 | 114.9 Ų | 114.9 | 27% | 0.273 | 64% | 0.64 | S | S | . | * | trans | -91.1 | 152.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L83 V89 K90 | L83-A85 PolarHBondContact O-N 3.18Å; A85-V89 HydrophobicContact CB-CB 3.74Å; A85-V89 HydrophobicContact CB-CG1 3.7Å; A85-V89 HydrophobicContact CB-CG2 4.36Å; A85-K90 VanDerWaalsContact O-CE 3.27Å; A85-K90 WeakPolarHBondContact O-CE 3.01Å | ||
| 86 | S | 82.9 | Confident | 76.6 | Confident | 66 Ų | 66 | 112.3 Ų | 112.3 | 46% | 0.462 | 62% | 0.622 | S | S | . | * | trans | -56.5 | 154.5 | 173.5 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | E88 V89 K90 | S86-E88 PolarHBondContact O-N 3.5Å; S86-E88 VanDerWaalsContact O-N 3.11Å; S86-V89 PolarHBondContact O-N 2.84Å; S86-V89 WeakPolarHBondContact OG-CG2 3.33Å; S86-K90 PolarHBondContact O-N 2.98Å | ||
| 87 | E | 88.8 | Confident | 78 | Confident | 157 Ų | 157 | 113.1 Ų | 113.1 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -54.3 | -32.6 | 179.6 | -62.9 | -176.5 | 170.5 | 0 | 0 | 112.5 | K90 N91 | E87-K90 PolarHBondContact O-N 3.46Å; E87-N91 PolarHBondContact O-N 3.28Å; E87-N91 PolarHBondContact O-ND2 3.33Å; E87-N91 VanDerWaalsContact O-ND2 3.07Å |
| 88 | E | 89.7 | Confident | 79.7 | Confident | 151 Ų | 151 | 115.9 Ų | 115.9 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -43.2 | 175.9 | -60.3 | -175.9 | 161.4 | 0 | 0 | 112.5 | S86 N91 L92 | S86-E88 PolarHBondContact O-N 3.5Å; S86-E88 VanDerWaalsContact O-N 3.11Å; E88-N91 PolarHBondContact O-N 3.25Å; E88-L92 WeakPolarHBondContact O-CG 3.13Å; E88-L92 PolarHBondContact O-N 3.44Å |
| 89 | V | 92.2 | Very high | 81.4 | Confident | 66 Ų | 66 | 115.2 Ų | 115.2 | 40% | 0.4 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.3 | -40.8 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | A85 S86 N91 L92 V93 | A85-V89 HydrophobicContact CB-CB 3.74Å; A85-V89 HydrophobicContact CB-CG1 3.7Å; A85-V89 HydrophobicContact CB-CG2 4.36Å; S86-V89 PolarHBondContact O-N 2.84Å; S86-V89 WeakPolarHBondContact OG-CG2 3.33Å; V89-N91 PolarHBondContact O-N 2.99Å; V89-L92 WeakPolarHBondContact O-CB 3.38Å; V89-L92 PolarHBondContact O-N 3.27Å; V89-V93 HydrophobicContact CG1-CG2 4.47Å; V89-V93 WeakPolarHBondContact O-CG2 3.27Å; V89-V93 PolarHBondContact O-N 3.25Å |
| 90 | K | 92.3 | Very high | 83.6 | Confident | 117 Ų | 117 | 111.4 Ų | 111.4 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.9 | -47.1 | 176.1 | -64.1 | 177.7 | -178.8 | 172.2 | 0 | 111.2 | A85 S86 E87 L92 V93 D94 | A85-K90 VanDerWaalsContact O-CE 3.27Å; A85-K90 WeakPolarHBondContact O-CE 3.01Å; S86-K90 PolarHBondContact O-N 2.98Å; E87-K90 PolarHBondContact O-N 3.46Å; K90-L92 VanDerWaalsContact C-N 3.3Å; K90-L92 PolarHBondContact O-N 3.32Å; K90-V93 PolarHBondContact O-N 3.14Å; K90-V93 VanDerWaalsContact O-N 3.17Å; K90-D94 PolarHBondContact O-N 3.17Å |
| 91 | N | 93.6 | Very high | 85.2 | Confident | 98 Ų | 98 | 114.6 Ų | 114.6 | 52% | 0.524 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.3 | -36.1 | 175.8 | -73 | -39.6 | 0 | 0 | 0 | 112.8 | E87 E88 V89 R95 | E87-N91 PolarHBondContact O-N 3.28Å; E87-N91 PolarHBondContact O-ND2 3.33Å; E87-N91 VanDerWaalsContact O-ND2 3.07Å; E88-N91 PolarHBondContact O-N 3.25Å; V89-N91 PolarHBondContact O-N 2.99Å; N91-R95 VanDerWaalsContact O-CG 3.24Å; N91-R95 WeakPolarHBondContact O-CG 3.28Å; N91-R95 PolarHBondContact O-N 3.08Å; N91-R95 VanDerWaalsContact O-N 3.13Å |
| 92 | L | 95.1 | Very high | 87.1 | Confident | 94 Ų | 94 | 111.7 Ų | 111.7 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.7 | -42.9 | 174.6 | -72.6 | 171.5 | 0 | 0 | 0 | 111.7 | E88 V89 K90 D94 R95 I96 | E88-L92 WeakPolarHBondContact O-CG 3.13Å; E88-L92 PolarHBondContact O-N 3.44Å; V89-L92 WeakPolarHBondContact O-CB 3.38Å; V89-L92 PolarHBondContact O-N 3.27Å; K90-L92 VanDerWaalsContact C-N 3.3Å; K90-L92 PolarHBondContact O-N 3.32Å; L92-D94 PolarHBondContact O-N 3.43Å; L92-R95 PolarHBondContact O-N 3.38Å; L92-I96 VanDerWaalsContact O-CG1 3.26Å; L92-I96 WeakPolarHBondContact O-CG1 3.32Å; L92-I96 PolarHBondContact O-N 3.13Å |
| 93 | V | 92.8 | Very high | 88.8 | Confident | 75 Ų | 75 | 109.7 Ų | 109.7 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.5 | -47.4 | 176 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | V89 K90 R95 I96 V97 | V89-V93 HydrophobicContact CG1-CG2 4.47Å; V89-V93 WeakPolarHBondContact O-CG2 3.27Å; V89-V93 PolarHBondContact O-N 3.25Å; K90-V93 PolarHBondContact O-N 3.14Å; K90-V93 VanDerWaalsContact O-N 3.17Å; V93-R95 PolarHBondContact O-N 2.58Å; V93-I96 PolarHBondContact O-N 3.34Å; V93-I96 VanDerWaalsContact O-N 3.1Å; V93-V97 HydrophobicContact CG1-CG2 4.41Å; V93-V97 WeakPolarHBondContact O-CG2 3.42Å; V93-V97 PolarHBondContact O-N 2.73Å |
| 94 | D | 94.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 105.1 Ų | 105.1 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 177.1 | -72.6 | -30 | 0 | 0 | 0 | 112.8 | K90 L92 K98 | K90-D94 PolarHBondContact O-N 3.17Å; L92-D94 PolarHBondContact O-N 3.43Å; D94-K98 WeakPolarHBondContact O-CD 3.49Å; D94-K98 VanDerWaalsContact O-CG 3.24Å; D94-K98 WeakPolarHBondContact O-CG 3.48Å; D94-K98 PolarHBondContact O-N 3.13Å |
| 95 | R | 95 | Very high | 91.8 | Very high | 174 Ų | 174 | 98.8 Ų | 98.8 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -38.4 | 175.1 | -73.1 | 175.2 | 67.7 | -174.9 | 1 | 112.2 | N91 L92 V93 K98 L99 | N91-R95 VanDerWaalsContact O-CG 3.24Å; N91-R95 WeakPolarHBondContact O-CG 3.28Å; N91-R95 PolarHBondContact O-N 3.08Å; N91-R95 VanDerWaalsContact O-N 3.13Å; L92-R95 PolarHBondContact O-N 3.38Å; V93-R95 PolarHBondContact O-N 2.58Å; R95-K98 PolarHBondContact O-N 3.49Å; R95-L99 WeakPolarHBondContact O-CG 3.35Å |
| 96 | I | 94.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 177.8 | -68 | 162.4 | 0 | 0 | 0 | 110.5 | L92 V93 K98 L99 | L92-I96 VanDerWaalsContact O-CG1 3.26Å; L92-I96 WeakPolarHBondContact O-CG1 3.32Å; L92-I96 PolarHBondContact O-N 3.13Å; V93-I96 PolarHBondContact O-N 3.34Å; V93-I96 VanDerWaalsContact O-N 3.1Å; I96-K98 PolarHBondContact O-N 2.71Å; I96-L99 PolarHBondContact O-N 3Å; I96-L99 VanDerWaalsContact O-N 3.14Å |
| 97 | V | 92.8 | Very high | 93.5 | Very high | 113 Ų | 113 | 99 Ų | 99 | 69% | 0.685 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.4 | -29.2 | 179.4 | 174 | 0 | 0 | 0 | 0 | 112.3 | V93 L99 | V93-V97 HydrophobicContact CG1-CG2 4.41Å; V93-V97 WeakPolarHBondContact O-CG2 3.42Å; V93-V97 PolarHBondContact O-N 2.73Å; V97-L99 VanDerWaalsContact C-N 3.34Å |
| 98 | K | 95.2 | Very high | 93.7 | Very high | 169 Ų | 169 | 95.2 Ų | 95.2 | 74% | 0.735 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -16 | 176.6 | -72.4 | 168.6 | -171.9 | 169.7 | 0 | 114.1 | D94 R95 I96 | D94-K98 WeakPolarHBondContact O-CD 3.49Å; D94-K98 VanDerWaalsContact O-CG 3.24Å; D94-K98 WeakPolarHBondContact O-CG 3.48Å; D94-K98 PolarHBondContact O-N 3.13Å; R95-K98 PolarHBondContact O-N 3.49Å; I96-K98 PolarHBondContact O-N 2.71Å |
| 99 | L | 93 | Very high | 93.9 | Very high | 72 Ų | 72 | 94.1 Ų | 94.1 | 38% | 0.377 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -79.4 | 155.3 | 179.7 | -69.9 | 173.6 | 0 | 0 | 0 | 111.6 | R95 I96 V97 D103 I104 L107 | R95-L99 WeakPolarHBondContact O-CG 3.35Å; I96-L99 PolarHBondContact O-N 3Å; I96-L99 VanDerWaalsContact O-N 3.14Å; V97-L99 VanDerWaalsContact C-N 3.34Å; L99-D103 HydrophobicContact CB-CB 4.23Å; L99-D103 HydrophobicContact CD2-CB 4.34Å; L99-I104 HydrophobicContact CB-CG1 4.1Å; L99-L107 HydrophobicContact CD1-CD1 3.99Å |
| 100 | T | 94 | Very high | 93.9 | Very high | 78 Ų | 78 | 95.9 Ų | 95.9 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | trans | -77.4 | 159.6 | 175.3 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | V102 D103 I104 | T100-V102 PolarHBondContact O-N 3.01Å; T100-V102 VanDerWaalsContact O-N 3.17Å; T100-D103 PolarHBondContact O-N 2.82Å; T100-D103 VanDerWaalsContact O-N 3.08Å; T100-D103 PolarHBondContact OG1-N 2.87Å; T100-D103 PolarHBondContact OG1-OD2 3.06Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.46Å | ||
| 101 | L | 93.1 | Very high | 94 | Very high | 148 Ų | 148 | 94.7 Ų | 94.7 | 78% | 0.775 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.2 | -32.6 | 179.1 | -64.8 | 178.8 | 0 | 0 | 0 | 113.3 | I104 S105 | L101-I104 HydrophobicContact CD2-CD1 4.36Å; L101-S105 PolarHBondContact O-N 3.44Å |
| 102 | V | 93.4 | Very high | 93.8 | Very high | 108 Ų | 108 | 93.5 Ų | 93.5 | 66% | 0.655 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -47 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | T100 I104 S105 A106 | T100-V102 PolarHBondContact O-N 3.01Å; T100-V102 VanDerWaalsContact O-N 3.17Å; V102-I104 VanDerWaalsContact C-N 3.33Å; V102-I104 PolarHBondContact O-N 2.95Å; V102-S105 PolarHBondContact O-N 2.99Å; V102-S105 PolarHBondContact O-OG 3.41Å; V102-A106 PolarHBondContact O-N 2.65Å |
| 103 | D | 94.5 | Very high | 93.5 | Very high | 76 Ų | 76 | 95.4 Ų | 95.4 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 178.6 | -59.4 | -45.6 | 0 | 0 | 0 | 112.3 | L99 T100 S105 A106 L107 | L99-D103 HydrophobicContact CB-CB 4.23Å; L99-D103 HydrophobicContact CD2-CB 4.34Å; T100-D103 PolarHBondContact O-N 2.82Å; T100-D103 VanDerWaalsContact O-N 3.08Å; T100-D103 PolarHBondContact OG1-N 2.87Å; T100-D103 PolarHBondContact OG1-OD2 3.06Å; D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 3.45Å; D103-A106 PolarHBondContact O-N 2.93Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 2.91Å |
| 104 | I | 96.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 102 Ų | 102 | 30% | 0.297 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.8 | -67 | 165.2 | 0 | 0 | 0 | 110.9 | L99 T100 L101 V102 L107 N108 | L99-I104 HydrophobicContact CB-CG1 4.1Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.46Å; L101-I104 HydrophobicContact CD2-CD1 4.36Å; V102-I104 VanDerWaalsContact C-N 3.33Å; V102-I104 PolarHBondContact O-N 2.95Å; I104-L107 PolarHBondContact O-N 2.92Å; I104-N108 PolarHBondContact O-N 2.96Å |
| 105 | S | 92.5 | Very high | 93.1 | Very high | 62 Ų | 62 | 103.3 Ų | 103.3 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 176.9 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | L101 V102 D103 N108 K109 | L101-S105 PolarHBondContact O-N 3.44Å; V102-S105 PolarHBondContact O-N 2.99Å; V102-S105 PolarHBondContact O-OG 3.41Å; D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 3.45Å; S105-N108 PolarHBondContact O-N 3.22Å; S105-K109 WeakPolarHBondContact O-CG 3.26Å; S105-K109 PolarHBondContact O-N 3.4Å |
| 106 | A | 95 | Very high | 92.7 | Very high | 44 Ų | 44 | 101.6 Ų | 101.6 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V102 D103 N108 K109 L110 | V102-A106 PolarHBondContact O-N 2.65Å; D103-A106 PolarHBondContact O-N 2.93Å; A106-N108 VanDerWaalsContact C-N 3.35Å; A106-N108 PolarHBondContact O-N 2.98Å; A106-K109 PolarHBondContact O-N 3.15Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.94Å |
| 107 | L | 96.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 103 Ų | 103 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 174.8 | -178.7 | 151.1 | 0 | 0 | 0 | 111.3 | L99 D103 I104 K109 L110 L111 | L99-L107 HydrophobicContact CD1-CD1 3.99Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 2.91Å; I104-L107 PolarHBondContact O-N 2.92Å; L107-K109 PolarHBondContact O-N 3.5Å; L107-L110 PolarHBondContact O-N 3.25Å; L107-L111 HydrophobicContact CD2-CD1 3.55Å; L107-L111 HydrophobicContact CD2-CG 4.11Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.97Å |
| 108 | N | 93.5 | Very high | 91.4 | Very high | 79 Ų | 79 | 102.3 Ų | 102.3 | 42% | 0.422 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.3 | -170.7 | -88.6 | 0 | 0 | 0 | 112.2 | I104 S105 A106 L111 K112 | I104-N108 PolarHBondContact O-N 2.96Å; S105-N108 PolarHBondContact O-N 3.22Å; A106-N108 VanDerWaalsContact C-N 3.35Å; A106-N108 PolarHBondContact O-N 2.98Å; N108-L111 PolarHBondContact O-N 3.42Å; N108-K112 WeakPolarHBondContact O-CG 3.37Å; N108-K112 PolarHBondContact O-N 3.25Å; N108-K112 VanDerWaalsContact O-N 3.07Å; N108-K112 WeakPolarHBondContact OD1-CE 3.32Å |
| 109 | K | 93.1 | Very high | 90.3 | Very high | 128 Ų | 128 | 99.7 Ų | 99.7 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -45.7 | 175.1 | -70 | 175.8 | -179.5 | -179.3 | 0 | 111.6 | S105 A106 L107 L111 K112 Q113 | S105-K109 WeakPolarHBondContact O-CG 3.26Å; S105-K109 PolarHBondContact O-N 3.4Å; A106-K109 PolarHBondContact O-N 3.15Å; L107-K109 PolarHBondContact O-N 3.5Å; K109-L111 PolarHBondContact O-N 2.91Å; K109-K112 PolarHBondContact O-N 2.87Å; K109-Q113 WeakPolarHBondContact O-CG 3.16Å; K109-Q113 PolarHBondContact O-N 2.77Å |
| 110 | L | 92.9 | Very high | 89.4 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.6 | -71.2 | 176.3 | 0 | 0 | 0 | 112.1 | A106 L107 Q113 R114 | A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.94Å; L107-L110 PolarHBondContact O-N 3.25Å; L110-Q113 PolarHBondContact O-N 3.43Å; L110-R114 WeakPolarHBondContact O-CB 3.19Å; L110-R114 WeakPolarHBondContact O-CG 3.41Å; L110-R114 PolarHBondContact O-N 2.74Å |
| 111 | L | 93.7 | Very high | 88.3 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.7 | -73.8 | 178.7 | 0 | 0 | 0 | 111.6 | L107 N108 K109 Q113 R114 L115 | L107-L111 HydrophobicContact CD2-CD1 3.55Å; L107-L111 HydrophobicContact CD2-CG 4.11Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.97Å; N108-L111 PolarHBondContact O-N 3.42Å; K109-L111 PolarHBondContact O-N 2.91Å; L111-Q113 PolarHBondContact O-N 2.88Å; L111-R114 PolarHBondContact O-N 2.88Å; L111-L115 VanDerWaalsContact O-CB 3.28Å; L111-L115 WeakPolarHBondContact O-CB 3.33Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.59Å |
| 112 | K | 90 | Very high | 86.8 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 177 | -71.3 | 173.7 | 172.2 | -175.8 | 0 | 112.3 | N108 K109 N116 L117 D119 | N108-K112 WeakPolarHBondContact O-CG 3.37Å; N108-K112 PolarHBondContact O-N 3.25Å; N108-K112 VanDerWaalsContact O-N 3.07Å; N108-K112 WeakPolarHBondContact OD1-CE 3.32Å; K109-K112 PolarHBondContact O-N 2.87Å; K112-N116 PolarHBondContact O-N 2.86Å; K112-N116 VanDerWaalsContact O-N 3.11Å; K112-L117 PolarHBondContact O-N 2.97Å; K112-D119 WeakPolarHBondContact CD-OD1 3.49Å; K112-D119 WeakPolarHBondContact CE-OD1 3.36Å; K112-D119 IonicContact NZ-OD1 2.77Å; K112-D119 PolarHBondContact NZ-OD1 3.37Å |
| 113 | Q | 89.1 | Confident | 85.5 | Confident | 134 Ų | 134 | 105.5 Ų | 105.5 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.8 | -43.4 | 176.9 | -73.2 | 179 | -32.5 | 0 | 0 | 112.5 | K109 L110 L111 N116 | K109-Q113 WeakPolarHBondContact O-CG 3.16Å; K109-Q113 PolarHBondContact O-N 2.77Å; L110-Q113 PolarHBondContact O-N 3.43Å; L111-Q113 PolarHBondContact O-N 2.88Å; Q113-N116 PolarHBondContact O-N 3.37Å |
| 114 | R | 89 | Confident | 84 | Confident | 212 Ų | 212 | 107.4 Ų | 107.4 | 80% | 0.8 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.4 | -37.5 | -177.3 | -66 | -69.7 | -99 | -175.6 | -5.4 | 112.6 | L110 L111 N116 | L110-R114 WeakPolarHBondContact O-CB 3.19Å; L110-R114 WeakPolarHBondContact O-CG 3.41Å; L110-R114 PolarHBondContact O-N 2.74Å; L111-R114 PolarHBondContact O-N 2.88Å; R114-N116 PolarHBondContact O-N 3.49Å |
| 115 | L | 90 | Very high | 82 | Confident | 115 Ų | 115 | 113.4 Ų | 113.4 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 0.4 | 176 | -63.9 | 175.5 | 0 | 0 | 0 | 112.7 | L111 L117 | L111-L115 VanDerWaalsContact O-CB 3.28Å; L111-L115 WeakPolarHBondContact O-CB 3.33Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.59Å; L115-L117 HydrophobicContact CB-CD1 3.89Å; L115-L117 HydrophobicContact CB-CG 3.83Å; L115-L117 HydrophobicContact CD1-CD1 3.97Å; L115-L117 PolarHBondContact O-N 2.89Å; L115-L117 VanDerWaalsContact O-N 3.1Å |
| 116 | N | 85.2 | Confident | 80.5 | Confident | 138 Ų | 138 | 113 Ų | 113 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.9 | 36.7 | -173.3 | -66.3 | -75.5 | 0 | 0 | 0 | 112.1 | K112 Q113 R114 P118 | K112-N116 PolarHBondContact O-N 2.86Å; K112-N116 VanDerWaalsContact O-N 3.11Å; Q113-N116 PolarHBondContact O-N 3.37Å; R114-N116 PolarHBondContact O-N 3.49Å; N116-P118 WeakPolarHBondContact O-CD 3.24Å |
| 117 | L | 84.8 | Confident | 78.3 | Confident | 101 Ų | 101 | 117.1 Ų | 117.1 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | trans | -79.6 | 104.9 | 173.2 | -68.2 | 168.1 | 0 | 0 | 0 | 106 | K112 L115 D119 | K112-L117 PolarHBondContact O-N 2.97Å; L115-L117 HydrophobicContact CB-CD1 3.89Å; L115-L117 HydrophobicContact CB-CG 3.83Å; L115-L117 HydrophobicContact CD1-CD1 3.97Å; L115-L117 PolarHBondContact O-N 2.89Å; L115-L117 VanDerWaalsContact O-N 3.1Å; L117-D119 PolarHBondContact O-N 2.93Å | ||
| 118 | P | 74.3 | Confident | 75.6 | Confident | 99 Ų | 99 | 122.5 Ų | 122.5 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | trans | -57.3 | 136.9 | 168 | 27.2 | -33.4 | 0 | 0 | 0 | 106.7 | N116 V120 | N116-P118 WeakPolarHBondContact O-CD 3.24Å; P118-V120 VanDerWaalsContact O-CG2 3.31Å; P118-V120 WeakPolarHBondContact O-CG2 3.24Å; P118-V120 PolarHBondContact O-N 3.36Å | ||
| 119 | D | 73.8 | Confident | 73.4 | Confident | 115 Ų | 115 | 125.1 Ų | 125.1 | 62% | 0.615 | 67% | 0.673 | S | S | * | * | trans | -57.3 | 95.1 | 168.5 | -82.1 | -53.7 | 0 | 0 | 0 | 106.4 | K112 L117 P121 | K112-D119 WeakPolarHBondContact CD-OD1 3.49Å; K112-D119 WeakPolarHBondContact CE-OD1 3.36Å; K112-D119 IonicContact NZ-OD1 2.77Å; K112-D119 PolarHBondContact NZ-OD1 3.37Å; L117-D119 PolarHBondContact O-N 2.93Å; D119-P121 WeakPolarHBondContact O-CD 3.32Å | ||
| 120 | V | 74.4 | Confident | 71 | Confident | 117 Ų | 117 | 122.5 Ų | 122.5 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | trans | -67.8 | 109.3 | 179.5 | -151.5 | 0 | 0 | 0 | 0 | 103.4 | P118 I122 | P118-V120 VanDerWaalsContact O-CG2 3.31Å; P118-V120 WeakPolarHBondContact O-CG2 3.24Å; P118-V120 PolarHBondContact O-N 3.36Å; V120-I122 PolarHBondContact O-N 3.26Å; V120-I122 VanDerWaalsContact O-N 3.15Å | ||
| 121 | P | 69 | Low | 68.6 | Low | 97 Ų | 97 | 121.8 Ų | 121.8 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | trans | -56 | 131.4 | 169.2 | 26.5 | -31.5 | 0 | 0 | 0 | 104.2 | D119 M123 | D119-P121 WeakPolarHBondContact O-CD 3.32Å; P121-M123 HydrophobicContact CG-CG 4.5Å; P121-M123 PolarHBondContact O-N 3.14Å | ||
| 122 | I | 63.3 | Low | 66.2 | Low | 166 Ų | 166 | 129.1 Ų | 129.1 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | trans | -58.3 | 88.1 | 173.1 | -60.6 | 178.5 | 0 | 0 | 0 | 105.2 | V120 P124 | V120-I122 PolarHBondContact O-N 3.26Å; V120-I122 VanDerWaalsContact O-N 3.15Å; I122-P124 WeakPolarHBondContact O-CD 3.22Å | ||
| 123 | M | 64.3 | Low | 63.8 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | -66.8 | 120.4 | 173.5 | -80.1 | -146.9 | -76.2 | 0 | 0 | 103.4 | P121 I125 | P121-M123 HydrophobicContact CG-CG 4.5Å; P121-M123 PolarHBondContact O-N 3.14Å; M123-I125 PolarHBondContact O-N 2.73Å | ||
| 124 | P | 63.4 | Low | 62.4 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -59.2 | 108.7 | 176.9 | 22.9 | -29.4 | 0 | 0 | 0 | 106 | I122 G126 | I122-P124 WeakPolarHBondContact O-CD 3.22Å; P124-G126 PolarHBondContact O-N 2.78Å | ||
| 125 | I | 54.9 | Low | 60.9 | Low | 184 Ų | 184 | 123.3 Ų | 123.3 | 94% | 0.944 | 75% | 0.747 | S | S | * | * | trans | -67.4 | 79.8 | 162.8 | -62.1 | 174.3 | 0 | 0 | 0 | 104 | M123 | M123-I125 PolarHBondContact O-N 2.73Š| ||
| 126 | G | 59.8 | Low | 59.4 | Low | 55 Ų | 55 | 123.3 Ų | 123.3 | 57% | 0.567 | 75% | 0.754 | S | S | * | * | trans | -121 | 142.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P124 | P124-G126 PolarHBondContact O-N 2.78Š| ||
| 127 | P | 48.6 | Very low | 57.4 | Low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -83.9 | 144.5 | -135.3 | 31 | -34.4 | 0 | 0 | 0 | 113.6 | ||||
| 128 | M | 41.4 | Very low | 55.2 | Low | 172 Ų | 172 | 122.4 Ų | 122.4 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -15.8 | 141.1 | 146.2 | -163.4 | 82 | 166 | 0 | 0 | 114.1 | ||||
| 129 | T | 46.3 | Very low | 53.4 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 105.8 | 96.6 | 163.8 | 73.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 130 | G | 42 | Very low | 51.7 | Low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | 84.7 | 120.3 | 113.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 131 | A | 44.1 | Very low | 50 | Low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 85.1 | 103.9 | 126.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 132 | Y | 42.4 | Very low | 48.5 | Very low | 246 Ų | 246 | 133.3 Ų | 133.3 | 97% | 0.965 | 80% | 0.802 | S | S | * | * | trans | 79.7 | 110.8 | 139 | -76.4 | -98.2 | 0 | 0 | 0 | 120.6 | ||||
| 133 | G | 40.6 | Very low | 47.1 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 164.5 | 86.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 134 | A | 57.8 | Low | 46 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -77.6 | 167.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 135 | P | 57.5 | Low | 44.9 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -110.1 | -151.5 | -166 | 44.4 | -32.1 | 0 | 0 | 0 | 111.4 | ||||
| 136 | P | 59.2 | Low | 44.1 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -129.9 | 165.2 | -35.7 | 26.1 | -5.5 | 0 | 0 | 0 | 113.2 | ||||
| 137 | S | 42.4 | Very low | 43.5 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -163.8 | 93.2 | 148.8 | -173.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 138 | S | 38.6 | Very low | 43.5 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | 80 | 118.3 | 85.9 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 139 | A | 37.2 | Very low | 43.8 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | 83.3 | 80.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 140 | Q | 38.2 | Very low | 44.5 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | S | Bend | -150.4 | 113.9 | 127.3 | -160.9 | 117.9 | -36.3 | 0 | 0 | 110.3 | |||
| 141 | K | 39.4 | Very low | 45.6 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | 79.3 | 72.6 | 161.9 | -110.8 | 165.6 | -178.5 | 175.9 | 0 | 118.8 | ||||
| 142 | E | 37.6 | Very low | 47.2 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | 13.3 | 107.7 | 115.5 | -146.3 | 152.7 | 120 | 0 | 0 | 117.2 | |||||
| 143 | Q | 34.1 | Very low | 48.9 | Very low | 178 Ų | 178 | 116.1 Ų | 116.1 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | 67.7 | 135 | 128.6 | -127.7 | 90.9 | -18 | 0 | 0 | 122 | |||||
| 144 | A | 41 | Very low | 51 | Low | 88 Ų | 88 | 112.3 Ų | 112.3 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | 81.5 | 87.2 | 162 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 145 | A | 40.2 | Very low | 52.3 | Low | 90 Ų | 90 | 110.1 Ų | 110.1 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | 43.6 | 119.2 | 67.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 146 | T | 38.9 | Very low | 53.4 | Low | 130 Ų | 130 | 104.9 Ų | 104.9 | 80% | 0.798 | 60% | 0.603 | S | S | * | * | cis | -167.8 | 151.8 | 26.5 | -32.1 | 0 | 0 | 0 | 0 | 106.4 | K148 | T146-K148 PolarHBondContact O-N 3.32Š| ||
| 147 | A | 45.4 | Very low | 54.5 | Low | 95 Ų | 95 | 102.5 Ų | 102.5 | 79% | 0.785 | 58% | 0.584 | S | S | * | * | trans | -19.9 | 116.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K149 | A147-K149 PolarHBondContact O-N 3.43Š| ||
| 148 | K | 49.1 | Very low | 56.5 | Low | 191 Ų | 191 | 103.2 Ų | 103.2 | 83% | 0.83 | 57% | 0.572 | S | S | * | * | trans | -47.5 | 110.4 | 174.9 | -64.4 | 178.3 | 176.3 | -175.4 | 0 | 109.3 | T146 T150 | T146-K148 PolarHBondContact O-N 3.32Å; K148-T150 PolarHBondContact O-N 3.34Å | ||
| 149 | K | 48.9 | Very low | 58.7 | Low | 150 Ų | 150 | 100.5 Ų | 100.5 | 65% | 0.652 | 55% | 0.547 | S | S | * | . | trans | -55 | 105.9 | 160.7 | -104.9 | 176.2 | 170.1 | -178 | 0 | 106.2 | A147 S151 | A147-K149 PolarHBondContact O-N 3.43Å; K149-S151 PolarHBondContact O-N 3.39Å; K149-S151 VanDerWaalsContact O-N 3.13Å | ||
| 150 | T | 60.3 | Low | 61 | Low | 121 Ų | 121 | 99.8 Ų | 99.8 | 74% | 0.742 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -78 | 19.2 | 174.2 | 50 | 0 | 0 | 0 | 0 | 112.1 | K148 | K148-T150 PolarHBondContact O-N 3.34Š|
| 151 | S | 64.3 | Low | 63.2 | Low | 38 Ų | 38 | 98.7 Ų | 98.7 | 27% | 0.266 | 53% | 0.525 | S | S | . | . | trans | -140 | 105.9 | -170.7 | 146.8 | 0 | 0 | 0 | 0 | 106.2 | K149 D197 | K149-S151 PolarHBondContact O-N 3.39Å; K149-S151 VanDerWaalsContact O-N 3.13Å; S151-D197 WeakPolarHBondContact CB-OD1 3.39Å; S151-D197 PolarHBondContact OG-OD1 2.82Å | ||
| 152 | F | 77.8 | Confident | 65.5 | Low | 48 Ų | 48 | 95.7 Ų | 95.7 | 21% | 0.211 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.5 | 175.3 | -66.6 | -82.3 | 0 | 0 | 0 | 109.6 | D197 I198 E200 A203 I219 E220 | F152-D197 PolarHBondContact O-N 3.29Å; F152-I198 WeakPolarHBondContact CB-O 3.34Å; F152-I198 PolarHBondContact N-O 3.49Å; F152-I198 PolarHBondContact O-N 3.43Å; F152-E200 HydrophobicContact CD2-CB 4.18Å; F152-E200 HydrophobicContact CE2-CB 3.59Å; F152-E200 HydrophobicContact CE2-CG 3.87Å; F152-E200 HydrophobicContact CZ-CB 4.34Å; F152-E200 HydrophobicContact CZ-CG 4.14Å; F152-A203 HydrophobicContact CB-CB 3.97Å; F152-I219 HydrophobicContact CB-CG2 3.68Å; F152-I219 HydrophobicContact CD1-CG2 3.52Å; F152-I219 HydrophobicContact CE1-CG2 4.41Å; F152-I219 HydrophobicContact CG-CG2 3.84Å; F152-E220 CarbonylContact C-O 3.5Å; F152-E220 VanDerWaalsContact CA-O 3.22Å; F152-E220 WeakPolarHBondContact CA-O 3.5Å |
| 153 | A | 79.6 | Confident | 67.9 | Low | 20 Ų | 20 | 91.2 Ų | 91.2 | 17% | 0.165 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T193 R195 E196 E220 | A153-T193 HydrophobicContact CB-CG2 4Å; A153-R195 WeakPolarHBondContact CA-O 3.47Å; A153-E196 HydrophobicContact CB-CG 4.32Å; A153-E220 PolarHBondContact N-O 3.47Å; A153-E220 PolarHBondContact O-N 3.22Å |
| 154 | V | 84.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.006 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.6 | 177.6 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V194 R195 A203 L210 C217 | V154-V194 PolarHBondContact O-N 3.48Å; V154-R195 PolarHBondContact N-O 3Å; V154-A203 HydrophobicContact CG2-CB 4.2Å; V154-L210 HydrophobicContact CG1-CD1 4.09Å; V154-C217 HydrophobicContact CG1-CB 4.05Å |
| 155 | K | 83.8 | Confident | 72.8 | Confident | 56 Ų | 56 | 87 Ų | 87 | 24% | 0.243 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.9 | 176.1 | -69.4 | -178.8 | -178.6 | 170.7 | 0 | 111 | T193 C217 T218 E220 | K155-T193 HydrophobicContact CG-CG2 4.12Å; K155-C217 CarbonylContact O-C 3.57Å; K155-C217 VanDerWaalsContact O-CA 3.25Å; K155-C217 WeakPolarHBondContact O-CA 3.46Å; K155-T218 PolarHBondContact N-O 3.32Å; K155-T218 PolarHBondContact O-N 3.44Å; K155-E220 WeakPolarHBondContact CD-OE1 3.39Å; K155-E220 VanDerWaalsContact CE-OE2 3.32Å; K155-E220 WeakPolarHBondContact CE-OE2 3.44Å; K155-E220 IonicContact NZ-OE1 2.65Å; K155-E220 PolarHBondContact NZ-OE1 3.21Å; K155-E220 IonicContact NZ-OE2 2.7Å; K155-E220 PolarHBondContact NZ-OE2 3.44Å |
| 156 | L | 81 | Confident | 75.3 | Confident | 6 Ų | 6 | 84.4 Ų | 84.4 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 118.7 | 167.8 | -76.9 | 169.3 | 0 | 0 | 0 | 109 | I171 F186 L190 P191 Q192 V194 L210 C217 | L156-I171 HydrophobicContact CD1-CD1 4Å; L156-I171 HydrophobicContact CD1-CG1 4.41Å; L156-F186 HydrophobicContact CD1-CE1 4.4Å; L156-L190 HydrophobicContact CB-CD2 4.06Å; L156-P191 WeakPolarHBondContact O-CA 3.4Å; L156-Q192 PolarHBondContact N-O 3.38Å; L156-Q192 PolarHBondContact O-N 3.46Å; L156-V194 HydrophobicContact CB-CG2 4.26Å; L156-V194 HydrophobicContact CD1-CG2 3.25Å; L156-V194 HydrophobicContact CG-CG2 3.46Å; L156-V194 VanDerWaalsContact CG-CG2 3.46Å; L156-L210 HydrophobicContact CD2-CB 4.4Å; L156-L210 HydrophobicContact CD2-CD1 4.16Å; L156-L210 HydrophobicContact CD2-CD2 4.44Å; L156-L210 HydrophobicContact CG-CD1 4.49Å; L156-C217 WeakPolarHBondContact CD2-SG 3.49Å |
| 157 | L | 83.2 | Confident | 77.7 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -42.6 | -179.5 | -66.7 | -172 | 0 | 0 | 0 | 112.8 | L190 P191 E216 T218 | L157-L190 WeakPolarHBondContact O-CD1 3.33Å; L157-P191 HydrophobicContact CD2-CB 3.94Å; L157-P191 HydrophobicContact CD2-CG 4.5Å; L157-E216 PolarHBondContact N-O 3.36Å; L157-T218 WeakPolarHBondContact CD1-OG1 3.39Å |
| 158 | K | 83.3 | Confident | 79.9 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.8 | 179.1 | -56.7 | -163.8 | -162.3 | 104.4 | 0 | 110.4 | G215 E216 | K158-G215 CarbonylContact O-C 3.57Å; K158-G215 WeakPolarHBondContact O-CA 3.31Å; K158-E216 HydrophobicContact CB-CB 3.98Å; K158-E216 WeakPolarHBondContact CD-OE2 3.46Å; K158-E216 IonicContact NZ-OE2 2.67Å; K158-E216 PolarHBondContact NZ-OE2 3.49Å; K158-E216 PolarHBondContact O-N 3.22Å |
| 159 | F | 85.2 | Confident | 81.9 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 22% | 0.219 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.4 | 171.4 | 69.9 | -99.3 | 0 | 0 | 0 | 110.4 | E161 K164 L167 V187 L190 G214 | F159-E161 HydrophobicContact CE2-CG 3.94Å; F159-K164 HydrophobicContact CE2-CD 4.39Å; F159-L167 HydrophobicContact CB-CD1 3.54Å; F159-V187 HydrophobicContact CB-CG1 4.41Å; F159-V187 HydrophobicContact CD1-CG1 3.76Å; F159-V187 WeakPolarHBondContact CD1-O 3.3Å; F159-V187 HydrophobicContact CD2-CG1 4.17Å; F159-V187 HydrophobicContact CE1-CG1 4.16Å; F159-V187 WeakPolarHBondContact CE1-O 3.23Å; F159-V187 HydrophobicContact CE2-CG1 4.46Å; F159-V187 HydrophobicContact CG-CG1 3.86Å; F159-V187 HydrophobicContact CZ-CG1 4.49Å; F159-L190 HydrophobicContact CD1-CD1 3.16Å; F159-L190 HydrophobicContact CD1-CD2 4.11Å; F159-L190 HydrophobicContact CD1-CG 3.67Å; F159-L190 HydrophobicContact CE1-CD1 3.56Å; F159-L190 HydrophobicContact CE1-CG 3.94Å; F159-L190 HydrophobicContact CG-CD1 4.18Å; F159-G214 CarbonylContact C-O 3.6Å |
| 160 | D | 86.3 | Confident | 83.8 | Confident | 81 Ų | 81 | 68 Ų | 68 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | trans | -82.9 | 124.3 | 167.9 | -67.3 | -37.6 | 0 | 0 | 0 | 110.5 | T162 K163 K164 G214 | D160-T162 PolarHBondContact O-N 2.84Å; D160-K163 PolarHBondContact O-N 3.23Å; D160-K164 PolarHBondContact O-N 3.37Å; D160-G214 PolarHBondContact N-O 2.9Å; D160-G214 WeakPolarHBondContact OD2-CA 3.33Å | ||
| 161 | E | 84.6 | Confident | 85.2 | Confident | 165 Ų | 165 | 62.2 Ų | 62.2 | 77% | 0.771 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -57.9 | -34 | 179.8 | -67.1 | -177.6 | 175.7 | 0 | 0 | 112.9 | F159 K163 K164 | F159-E161 HydrophobicContact CE2-CG 3.94Å; E161-K163 PolarHBondContact O-N 3Å; E161-K164 VanDerWaalsContact O-CB 3.31Å; E161-K164 WeakPolarHBondContact O-CB 3.36Å; E161-K164 PolarHBondContact O-N 3.42Å |
| 162 | T | 87.2 | Confident | 86.4 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 81% | 0.81 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -62.6 | -30.1 | 178.4 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | D160 | D160-T162 PolarHBondContact O-N 2.84Š|
| 163 | K | 87.6 | Confident | 86.8 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -108.6 | 10.8 | -177.3 | -58.8 | -178.8 | -172.7 | 170.6 | 0 | 113.3 | D160 E161 I165 A166 L167 A212 L213 | D160-K163 PolarHBondContact O-N 3.23Å; E161-K163 PolarHBondContact O-N 3Å; K163-I165 VanDerWaalsContact C-N 3.25Å; K163-I165 PolarHBondContact O-N 3.25Å; K163-I165 VanDerWaalsContact O-N 3.15Å; K163-A166 WeakPolarHBondContact O-CB 3.43Å; K163-A166 PolarHBondContact O-N 2.79Å; K163-L167 PolarHBondContact O-N 2.93Å; K163-L167 VanDerWaalsContact O-N 3.08Å; K163-A212 PolarHBondContact NZ-O 3.32Å; K163-L213 WeakPolarHBondContact CB-O 3.44Å; K163-L213 WeakPolarHBondContact CD-O 3.34Å |
| 164 | K | 87.9 | Confident | 87.1 | Confident | 54 Ų | 54 | 66 Ų | 66 | 24% | 0.235 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -50.7 | -40.7 | 178.2 | -175.6 | 171.9 | -179.3 | 176.7 | 0 | 113.4 | F159 D160 E161 A166 L167 I168 V187 E188 | F159-K164 HydrophobicContact CE2-CD 4.39Å; D160-K164 PolarHBondContact O-N 3.37Å; E161-K164 VanDerWaalsContact O-CB 3.31Å; E161-K164 WeakPolarHBondContact O-CB 3.36Å; E161-K164 PolarHBondContact O-N 3.42Å; K164-A166 VanDerWaalsContact C-N 3.32Å; K164-A166 PolarHBondContact O-N 3.25Å; K164-L167 PolarHBondContact O-N 3.31Å; K164-I168 HydrophobicContact CG-CD1 3.98Å; K164-I168 WeakPolarHBondContact O-CD1 3.44Å; K164-I168 WeakPolarHBondContact O-CG1 3.44Å; K164-I168 PolarHBondContact O-N 3.35Å; K164-V187 HydrophobicContact CG-CG1 4.07Å; K164-E188 VanDerWaalsContact NZ-CG 3.35Å; K164-E188 IonicContact NZ-OE1 2.93Å; K164-E188 PolarHBondContact NZ-OE1 3.24Å |
| 165 | I | 91.3 | Very high | 87.1 | Confident | 124 Ų | 124 | 67.6 Ų | 67.6 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.1 | -38.3 | 178.5 | -61.4 | 173.3 | 0 | 0 | 0 | 111.5 | K163 K169 | K163-I165 VanDerWaalsContact C-N 3.25Å; K163-I165 PolarHBondContact O-N 3.25Å; K163-I165 VanDerWaalsContact O-N 3.15Å; I165-K169 WeakPolarHBondContact O-CG 3.01Å; I165-K169 PolarHBondContact O-N 2.89Å |
| 166 | A | 91.3 | Very high | 87 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.9 | -40.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | K163 K164 I168 K169 E170 L213 | K163-A166 WeakPolarHBondContact O-CB 3.43Å; K163-A166 PolarHBondContact O-N 2.79Å; K164-A166 VanDerWaalsContact C-N 3.32Å; K164-A166 PolarHBondContact O-N 3.25Å; A166-I168 PolarHBondContact O-N 3.01Å; A166-K169 WeakPolarHBondContact O-CB 3.39Å; A166-K169 PolarHBondContact O-N 3.19Å; A166-E170 PolarHBondContact O-N 3.44Å; A166-E170 VanDerWaalsContact O-N 3.09Å; A166-L213 HydrophobicContact CB-CD2 3.84Å |
| 167 | L | 89.8 | Confident | 87.2 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 172.4 | -69 | 171.1 | 0 | 0 | 0 | 112.7 | F159 K163 K164 K169 E170 I171 L210 L213 | F159-L167 HydrophobicContact CB-CD1 3.54Å; K163-L167 PolarHBondContact O-N 2.93Å; K163-L167 VanDerWaalsContact O-N 3.08Å; K164-L167 PolarHBondContact O-N 3.31Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.46Å; L167-E170 PolarHBondContact O-N 2.86Å; L167-I171 WeakPolarHBondContact O-CD1 3.25Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 3.22Å; L167-L210 HydrophobicContact CD2-CD2 4.2Å; L167-L213 HydrophobicContact CD2-CB 3.66Å; L167-L213 HydrophobicContact CG-CB 4.24Å |
| 168 | I | 91.3 | Very high | 87.3 | Confident | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61 | -36.4 | 175.8 | -69.2 | 163.6 | 0 | 0 | 0 | 111.3 | K164 A166 K172 A183 K184 V187 | K164-I168 HydrophobicContact CG-CD1 3.98Å; K164-I168 WeakPolarHBondContact O-CD1 3.44Å; K164-I168 WeakPolarHBondContact O-CG1 3.44Å; K164-I168 PolarHBondContact O-N 3.35Å; A166-I168 PolarHBondContact O-N 3.01Å; I168-K172 WeakPolarHBondContact O-CG 3.18Å; I168-K172 PolarHBondContact O-N 3.22Å; I168-A183 HydrophobicContact CG2-CB 4.05Å; I168-K184 HydrophobicContact CD1-CG 4.02Å; I168-V187 HydrophobicContact CG1-CG2 3.88Å |
| 169 | K | 90.6 | Very high | 87.6 | Confident | 148 Ų | 148 | 71.4 Ų | 71.4 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.8 | -43.4 | 176.6 | -71.6 | 175.5 | -179.2 | 180 | 0 | 111.3 | I165 A166 L167 K172 A173 | I165-K169 WeakPolarHBondContact O-CG 3.01Å; I165-K169 PolarHBondContact O-N 2.89Å; A166-K169 WeakPolarHBondContact O-CB 3.39Å; A166-K169 PolarHBondContact O-N 3.19Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.46Å; K169-K172 PolarHBondContact O-N 3.49Å; K169-A173 PolarHBondContact O-N 3.22Å |
| 170 | E | 88.8 | Confident | 87.8 | Confident | 47 Ų | 47 | 74.1 Ų | 74.1 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 179.1 | -160.8 | 62.4 | -157 | 0 | 0 | 111.7 | A166 L167 K172 A173 L174 L210 L213 | A166-E170 PolarHBondContact O-N 3.44Å; A166-E170 VanDerWaalsContact O-N 3.09Å; L167-E170 PolarHBondContact O-N 2.86Å; E170-K172 PolarHBondContact O-N 2.82Å; E170-A173 CarbonylContact O-C 3.48Å; E170-A173 WeakPolarHBondContact O-CA 3.42Å; E170-A173 WeakPolarHBondContact O-CB 3.34Å; E170-A173 PolarHBondContact O-N 3.27Å; E170-L174 HydrophobicContact CG-CD1 4.11Å; E170-L174 HydrophobicContact CG-CG 4.26Å; E170-L174 WeakPolarHBondContact O-CG 3.38Å; E170-L174 PolarHBondContact O-N 3.38Å; E170-L210 HydrophobicContact CB-CD2 4.49Å; E170-L210 HydrophobicContact CG-CD2 4.06Å; E170-L213 HydrophobicContact CB-CD1 3.56Å; E170-L213 HydrophobicContact CG-CD1 3.73Å |
| 171 | I | 89.7 | Confident | 88 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.3 | -35.5 | 178.9 | -71.7 | 159.6 | 0 | 0 | 0 | 111.9 | L156 L167 A173 L174 V175 L178 F186 V187 | L156-I171 HydrophobicContact CD1-CD1 4Å; L156-I171 HydrophobicContact CD1-CG1 4.41Å; L167-I171 WeakPolarHBondContact O-CD1 3.25Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 3.22Å; I171-A173 VanDerWaalsContact C-N 3.35Å; I171-L174 PolarHBondContact O-N 3.5Å; I171-V175 PolarHBondContact O-N 3.4Å; I171-L178 HydrophobicContact CG2-CD1 3.72Å; I171-F186 HydrophobicContact CD1-CD1 3.9Å; I171-F186 HydrophobicContact CD1-CE1 4.34Å; I171-F186 HydrophobicContact CG1-CD1 4.49Å; I171-F186 HydrophobicContact CG2-CD1 4.09Å; I171-F186 HydrophobicContact CG2-CG 4.41Å; I171-V187 HydrophobicContact CD1-CG2 3.25Å |
| 172 | K | 89.6 | Confident | 88.3 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68 | -32.2 | 174.1 | -76.7 | -174.7 | 66.6 | 175 | 0 | 113.6 | I168 K169 E170 L180 A183 | I168-K172 WeakPolarHBondContact O-CG 3.18Å; I168-K172 PolarHBondContact O-N 3.22Å; K169-K172 PolarHBondContact O-N 3.49Å; E170-K172 PolarHBondContact O-N 2.82Å; K172-L180 HydrophobicContact CD-CD2 3.97Å; K172-A183 HydrophobicContact CD-CB 4.42Å; K172-A183 HydrophobicContact CG-CB 3.88Å |
| 173 | A | 87.6 | Confident | 88.4 | Confident | 75 Ų | 75 | 65 Ų | 65 | 62% | 0.62 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -75.7 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K169 E170 I171 | K169-A173 PolarHBondContact O-N 3.22Å; E170-A173 CarbonylContact O-C 3.48Å; E170-A173 WeakPolarHBondContact O-CA 3.42Å; E170-A173 WeakPolarHBondContact O-CB 3.34Å; E170-A173 PolarHBondContact O-N 3.27Å; I171-A173 VanDerWaalsContact C-N 3.35Å |
| 174 | L | 84.9 | Confident | 88.6 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.9 | -47 | -179.6 | -67 | -178.6 | 0 | 0 | 0 | 111.8 | E170 I171 P176 V194 R195 L206 L210 | E170-L174 HydrophobicContact CG-CD1 4.11Å; E170-L174 HydrophobicContact CG-CG 4.26Å; E170-L174 WeakPolarHBondContact O-CG 3.38Å; E170-L174 PolarHBondContact O-N 3.38Å; I171-L174 PolarHBondContact O-N 3.5Å; L174-P176 WeakPolarHBondContact O-CD 3.24Å; L174-V194 HydrophobicContact CB-CG1 4.2Å; L174-V194 HydrophobicContact CD1-CG1 3.7Å; L174-R195 PolarHBondContact O-NE 3.46Å; L174-R195 PolarHBondContact O-NH2 3.45Å; L174-L206 HydrophobicContact CD1-CD2 4.38Å; L174-L206 HydrophobicContact CD2-CD1 4.38Å; L174-L206 HydrophobicContact CD2-CD2 3.45Å; L174-L206 VanDerWaalsContact CD2-CD2 3.45Å; L174-L210 HydrophobicContact CD1-CD1 4.42Å; L174-L210 HydrophobicContact CD1-CD2 4.26Å |
| 175 | V | 83.5 | Confident | 88.7 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 21% | 0.212 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -113 | 93.8 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | I171 G177 L178 V194 | I171-V175 PolarHBondContact O-N 3.4Å; V175-G177 PolarHBondContact O-N 2.93Å; V175-L178 HydrophobicContact CB-CD1 3.78Å; V175-L178 HydrophobicContact CB-CG 4.02Å; V175-L178 HydrophobicContact CG1-CD1 4.06Å; V175-L178 HydrophobicContact CG1-CG 3.88Å; V175-L178 HydrophobicContact CG2-CD1 4.42Å; V175-L178 PolarHBondContact O-N 2.89Å; V175-V194 WeakPolarHBondContact CG2-O 3.5Å |
| 176 | P | 81.7 | Confident | 88.6 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 65% | 0.649 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 131 | 178.3 | 27.4 | -32.8 | 0 | 0 | 0 | 110 | L174 R195 | L174-P176 WeakPolarHBondContact O-CD 3.24Å; P176-R195 VanDerWaalsContact CD-NH2 3.3Å |
| 177 | G | 85.6 | Confident | 88.4 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 76% | 0.763 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.5 | -9.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | V175 N179 | V175-G177 PolarHBondContact O-N 2.93Å; G177-N179 PolarHBondContact O-N 3.1Å |
| 178 | L | 85.8 | Confident | 88.4 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | trans | -73.7 | 118.3 | 170.3 | -66.4 | -176.4 | 0 | 0 | 0 | 111.2 | I171 V175 Q182 | I171-L178 HydrophobicContact CG2-CD1 3.72Å; V175-L178 HydrophobicContact CB-CD1 3.78Å; V175-L178 HydrophobicContact CB-CG 4.02Å; V175-L178 HydrophobicContact CG1-CD1 4.06Å; V175-L178 HydrophobicContact CG1-CG 3.88Å; V175-L178 HydrophobicContact CG2-CD1 4.42Å; V175-L178 PolarHBondContact O-N 2.89Å; L178-Q182 HydrophobicContact CD2-CB 4.19Å | ||
| 179 | N | 89.4 | Confident | 88.1 | Confident | 115 Ų | 115 | 70.4 Ų | 70.4 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | trans | -67 | 158.3 | 171.3 | -74.5 | -33.7 | 0 | 0 | 0 | 111.3 | G177 V181 Q182 A183 | G177-N179 PolarHBondContact O-N 3.1Å; N179-V181 PolarHBondContact O-N 3.25Å; N179-V181 VanDerWaalsContact O-N 3.1Å; N179-Q182 HydrophobicContact CB-CG 4.23Å; N179-Q182 WeakPolarHBondContact O-CA 3.45Å; N179-Q182 PolarHBondContact O-N 3.2Å; N179-A183 PolarHBondContact O-N 3Å | ||
| 180 | L | 90.1 | Very high | 87.6 | Confident | 107 Ų | 107 | 66 Ų | 66 | 56% | 0.56 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -52.5 | -35.5 | 176.6 | -74.3 | 169.8 | 0 | 0 | 0 | 113.1 | K172 K184 | K172-L180 HydrophobicContact CD-CD2 3.97Å; L180-K184 WeakPolarHBondContact O-CG 3.14Å; L180-K184 PolarHBondContact O-N 3.48Å |
| 181 | V | 90.8 | Very high | 87.4 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.4 | -38.5 | 177 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | N179 K185 | N179-V181 PolarHBondContact O-N 3.25Å; N179-V181 VanDerWaalsContact O-N 3.1Å; V181-K185 WeakPolarHBondContact O-CG 3.39Å; V181-K185 PolarHBondContact O-N 3.06Å |
| 182 | Q | 90.6 | Very high | 87.1 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.3 | -39.7 | -179.1 | -58.5 | -59.2 | -8.7 | 0 | 0 | 111.7 | L178 N179 K184 K185 F186 | L178-Q182 HydrophobicContact CD2-CB 4.19Å; N179-Q182 HydrophobicContact CB-CG 4.23Å; N179-Q182 WeakPolarHBondContact O-CA 3.45Å; N179-Q182 PolarHBondContact O-N 3.2Å; Q182-K184 VanDerWaalsContact C-N 3.31Å; Q182-K184 PolarHBondContact O-N 3.22Å; Q182-K185 PolarHBondContact O-N 3.35Å; Q182-F186 WeakPolarHBondContact O-CB 3.41Å; Q182-F186 PolarHBondContact O-N 2.92Å |
| 183 | A | 89.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I168 K172 N179 F186 V187 | I168-A183 HydrophobicContact CG2-CB 4.05Å; K172-A183 HydrophobicContact CD-CB 4.42Å; K172-A183 HydrophobicContact CG-CB 3.88Å; N179-A183 PolarHBondContact O-N 3Å; A183-F186 PolarHBondContact O-N 3.15Å; A183-V187 PolarHBondContact O-N 3.08Å |
| 184 | K | 90.7 | Very high | 86.6 | Confident | 116 Ų | 116 | 65.8 Ų | 65.8 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65 | -46 | 173.8 | -73.5 | 177.5 | 179.9 | -172.9 | 0 | 111.9 | I168 L180 Q182 F186 V187 E188 | I168-K184 HydrophobicContact CD1-CG 4.02Å; L180-K184 WeakPolarHBondContact O-CG 3.14Å; L180-K184 PolarHBondContact O-N 3.48Å; Q182-K184 VanDerWaalsContact C-N 3.31Å; Q182-K184 PolarHBondContact O-N 3.22Å; K184-F186 VanDerWaalsContact C-N 3.34Å; K184-V187 PolarHBondContact O-N 3.09Å; K184-E188 WeakPolarHBondContact O-CG 3.37Å; K184-E188 PolarHBondContact O-N 3.19Å |
| 185 | K | 91.1 | Very high | 86.2 | Confident | 120 Ų | 120 | 69.4 Ų | 69.4 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.3 | -71.6 | -178.8 | 177.3 | -171.3 | 0 | 111.1 | V181 Q182 V187 E188 S189 | V181-K185 WeakPolarHBondContact O-CG 3.39Å; V181-K185 PolarHBondContact O-N 3.06Å; Q182-K185 PolarHBondContact O-N 3.35Å; K185-V187 VanDerWaalsContact C-N 3.35Å; K185-V187 PolarHBondContact O-N 3.44Å; K185-E188 CarbonylContact O-C 3.54Å; K185-E188 WeakPolarHBondContact O-CA 3.27Å; K185-E188 PolarHBondContact O-N 3.45Å; K185-S189 WeakPolarHBondContact O-CB 3.36Å; K185-S189 PolarHBondContact O-N 3.26Å; K185-S189 PolarHBondContact O-OG 3.3Å |
| 186 | F | 87.7 | Confident | 86 | Confident | 32 Ų | 32 | 73.8 Ų | 73.8 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.8 | -45.6 | -178.9 | -167.2 | -80.9 | 0 | 0 | 0 | 112.6 | L156 I171 Q182 A183 K184 E188 S189 Q192 T193 V194 | L156-F186 HydrophobicContact CD1-CE1 4.4Å; I171-F186 HydrophobicContact CD1-CD1 3.9Å; I171-F186 HydrophobicContact CD1-CE1 4.34Å; I171-F186 HydrophobicContact CG1-CD1 4.49Å; I171-F186 HydrophobicContact CG2-CD1 4.09Å; I171-F186 HydrophobicContact CG2-CG 4.41Å; Q182-F186 WeakPolarHBondContact O-CB 3.41Å; Q182-F186 PolarHBondContact O-N 2.92Å; A183-F186 PolarHBondContact O-N 3.15Å; K184-F186 VanDerWaalsContact C-N 3.34Å; F186-E188 VanDerWaalsContact C-N 3.35Å; F186-S189 WeakPolarHBondContact CA-OG 3.41Å; F186-S189 PolarHBondContact O-N 2.67Å; F186-S189 PolarHBondContact O-OG 3.47Å; F186-Q192 HydrophobicContact CE1-CB 4.07Å; F186-Q192 HydrophobicContact CE2-CB 4.1Å; F186-Q192 VanDerWaalsContact CE2-OE1 3.26Å; F186-Q192 VanDerWaalsContact CG-OE1 3.32Å; F186-Q192 HydrophobicContact CZ-CB 3.76Å; F186-T193 WeakPolarHBondContact CZ-O 3.28Å; F186-V194 HydrophobicContact CE1-CG2 3.97Å; F186-V194 HydrophobicContact CZ-CG2 4.27Å |
| 187 | V | 88.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.8 | -33.5 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | F159 K164 I168 I171 A183 K184 K185 | F159-V187 HydrophobicContact CB-CG1 4.41Å; F159-V187 HydrophobicContact CD1-CG1 3.76Å; F159-V187 WeakPolarHBondContact CD1-O 3.3Å; F159-V187 HydrophobicContact CD2-CG1 4.17Å; F159-V187 HydrophobicContact CE1-CG1 4.16Å; F159-V187 WeakPolarHBondContact CE1-O 3.23Å; F159-V187 HydrophobicContact CE2-CG1 4.46Å; F159-V187 HydrophobicContact CG-CG1 3.86Å; F159-V187 HydrophobicContact CZ-CG1 4.49Å; K164-V187 HydrophobicContact CG-CG1 4.07Å; I168-V187 HydrophobicContact CG1-CG2 3.88Å; I171-V187 HydrophobicContact CD1-CG2 3.25Å; A183-V187 PolarHBondContact O-N 3.08Å; K184-V187 PolarHBondContact O-N 3.09Å; K185-V187 VanDerWaalsContact C-N 3.35Å; K185-V187 PolarHBondContact O-N 3.44Å |
| 188 | E | 89.3 | Confident | 85.1 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -77.7 | -23.8 | 178.5 | -69.9 | 170.5 | -178.9 | 0 | 0 | 113.4 | K164 K184 K185 F186 L190 | K164-E188 VanDerWaalsContact NZ-CG 3.35Å; K164-E188 IonicContact NZ-OE1 2.93Å; K164-E188 PolarHBondContact NZ-OE1 3.24Å; K184-E188 WeakPolarHBondContact O-CG 3.37Å; K184-E188 PolarHBondContact O-N 3.19Å; K185-E188 CarbonylContact O-C 3.54Å; K185-E188 WeakPolarHBondContact O-CA 3.27Å; K185-E188 PolarHBondContact O-N 3.45Å; F186-E188 VanDerWaalsContact C-N 3.35Å; E188-L190 PolarHBondContact O-N 3.23Å |
| 189 | S | 83.8 | Confident | 84.9 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 33% | 0.329 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -96.8 | 47.5 | -174.8 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | K185 F186 Q192 | K185-S189 WeakPolarHBondContact O-CB 3.36Å; K185-S189 PolarHBondContact O-N 3.26Å; K185-S189 PolarHBondContact O-OG 3.3Å; F186-S189 WeakPolarHBondContact CA-OG 3.41Å; F186-S189 PolarHBondContact O-N 2.67Å; F186-S189 PolarHBondContact O-OG 3.47Å; S189-Q192 VanDerWaalsContact CB-NE2 3.33Å; S189-Q192 VanDerWaalsContact O-CD 3.3Å; S189-Q192 VanDerWaalsContact O-CG 3.23Å; S189-Q192 WeakPolarHBondContact O-CG 3.46Å; S189-Q192 PolarHBondContact O-NE2 3.32Å; S189-Q192 PolarHBondContact OG-NE2 3.48Å; S189-Q192 PolarHBondContact OG-OE1 3.33Å |
| 190 | L | 80.3 | Confident | 84.5 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | trans | -66.2 | 149 | 175.8 | -61.5 | 178.8 | 0 | 0 | 0 | 112 | L156 L157 F159 E188 | L156-L190 HydrophobicContact CB-CD2 4.06Å; L157-L190 WeakPolarHBondContact O-CD1 3.33Å; F159-L190 HydrophobicContact CD1-CD1 3.16Å; F159-L190 HydrophobicContact CD1-CD2 4.11Å; F159-L190 HydrophobicContact CD1-CG 3.67Å; F159-L190 HydrophobicContact CE1-CD1 3.56Å; F159-L190 HydrophobicContact CE1-CG 3.94Å; F159-L190 HydrophobicContact CG-CD1 4.18Å; E188-L190 PolarHBondContact O-N 3.23Å | ||
| 191 | P | 85 | Confident | 84.2 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | S | Bend | cis | -83.1 | 135.5 | -4.8 | -12.3 | 30.2 | 0 | 0 | 0 | 113 | L156 L157 | L156-P191 WeakPolarHBondContact O-CA 3.4Å; L157-P191 HydrophobicContact CD2-CB 3.94Å; L157-P191 HydrophobicContact CD2-CG 4.5Å |
| 192 | Q | 84.3 | Confident | 83.8 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 29% | 0.29 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.1 | 179 | -87.5 | -178.1 | 9.5 | 0 | 0 | 113.9 | L156 F186 S189 | L156-Q192 PolarHBondContact N-O 3.38Å; L156-Q192 PolarHBondContact O-N 3.46Å; F186-Q192 HydrophobicContact CE1-CB 4.07Å; F186-Q192 HydrophobicContact CE2-CB 4.1Å; F186-Q192 VanDerWaalsContact CE2-OE1 3.26Å; F186-Q192 VanDerWaalsContact CG-OE1 3.32Å; F186-Q192 HydrophobicContact CZ-CB 3.76Å; S189-Q192 VanDerWaalsContact CB-NE2 3.33Å; S189-Q192 VanDerWaalsContact O-CD 3.3Å; S189-Q192 VanDerWaalsContact O-CG 3.23Å; S189-Q192 WeakPolarHBondContact O-CG 3.46Å; S189-Q192 PolarHBondContact O-NE2 3.32Å; S189-Q192 PolarHBondContact OG-NE2 3.48Å; S189-Q192 PolarHBondContact OG-OE1 3.33Å |
| 193 | T | 84.4 | Confident | 83.4 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.7 | 177.6 | -41.3 | 0 | 0 | 0 | 0 | 110.7 | A153 K155 F186 E196 | A153-T193 HydrophobicContact CB-CG2 4Å; K155-T193 HydrophobicContact CG-CG2 4.12Å; F186-T193 WeakPolarHBondContact CZ-O 3.28Å; T193-E196 HydrophobicContact CG2-CG 3.45Å; T193-E196 VanDerWaalsContact CG2-CG 3.45Å |
| 194 | V | 82.2 | Confident | 83.3 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -46.4 | -177.6 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | V154 L156 L174 V175 F186 | V154-V194 PolarHBondContact O-N 3.48Å; L156-V194 HydrophobicContact CB-CG2 4.26Å; L156-V194 HydrophobicContact CD1-CG2 3.25Å; L156-V194 HydrophobicContact CG-CG2 3.46Å; L156-V194 VanDerWaalsContact CG-CG2 3.46Å; L174-V194 HydrophobicContact CB-CG1 4.2Å; L174-V194 HydrophobicContact CD1-CG1 3.7Å; V175-V194 WeakPolarHBondContact CG2-O 3.5Å; F186-V194 HydrophobicContact CE1-CG2 3.97Å; F186-V194 HydrophobicContact CZ-CG2 4.27Å |
| 195 | R | 75.8 | Confident | 83.2 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 137.6 | 178.1 | -76.4 | -62.4 | -162.9 | 153.8 | 3 | 109.7 | A153 V154 L174 P176 I198 | A153-R195 WeakPolarHBondContact CA-O 3.47Å; V154-R195 PolarHBondContact N-O 3Å; L174-R195 PolarHBondContact O-NE 3.46Å; L174-R195 PolarHBondContact O-NH2 3.45Å; P176-R195 VanDerWaalsContact CD-NH2 3.3Å; R195-I198 HydrophobicContact CB-CD1 3.27Å; R195-I198 HydrophobicContact CB-CG1 3.99Å; R195-I198 HydrophobicContact CG-CD1 3.89Å |
| 196 | E | 78.8 | Confident | 83 | Confident | 126 Ų | 126 | 66.7 Ų | 66.7 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 155.7 | 177.4 | -65.5 | 176 | 178.7 | 0 | 0 | 108.7 | A153 T193 | A153-E196 HydrophobicContact CB-CG 4.32Å; T193-E196 HydrophobicContact CG2-CG 3.45Å; T193-E196 VanDerWaalsContact CG2-CG 3.45Å |
| 197 | D | 73.8 | Confident | 83 | Confident | 107 Ų | 107 | 69.6 Ų | 69.6 | 57% | 0.572 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 62.5 | 38.6 | 177.4 | -63 | -65.1 | 0 | 0 | 0 | 115.7 | S151 F152 | S151-D197 WeakPolarHBondContact CB-OD1 3.39Å; S151-D197 PolarHBondContact OG-OD1 2.82Å; F152-D197 PolarHBondContact O-N 3.29Å |
| 198 | I | 75.3 | Confident | 83 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 9% | 0.087 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.9 | 175.9 | -63.2 | -170.1 | 0 | 0 | 0 | 110.9 | F152 R195 E202 A203 L206 | F152-I198 WeakPolarHBondContact CB-O 3.34Å; F152-I198 PolarHBondContact N-O 3.49Å; F152-I198 PolarHBondContact O-N 3.43Å; R195-I198 HydrophobicContact CB-CD1 3.27Å; R195-I198 HydrophobicContact CB-CG1 3.99Å; R195-I198 HydrophobicContact CG-CD1 3.89Å; I198-E202 HydrophobicContact CG2-CB 3.21Å; I198-E202 HydrophobicContact CG2-CG 4.46Å; I198-A203 HydrophobicContact CB-CB 4.49Å; I198-A203 HydrophobicContact CG2-CB 4.03Å; I198-A203 VanDerWaalsContact CG2-N 3.28Å; I198-L206 HydrophobicContact CD1-CD1 3.25Å; I198-L206 HydrophobicContact CD1-CG 4.46Å |
| 199 | G | 82.7 | Confident | 82.9 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | trans | -68.6 | 151.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P201 E202 A203 | G199-P201 VanDerWaalsContact O-N 3.12Å; G199-E202 PolarHBondContact O-N 3.19Å; G199-A203 PolarHBondContact O-N 3.43Å | ||
| 200 | E | 79.8 | Confident | 83.1 | Confident | 110 Ų | 110 | 72.3 Ų | 72.3 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -43.4 | -47.1 | -179.2 | -158.3 | 178.3 | 161.9 | 0 | 0 | 115.5 | F152 E202 A203 Q204 | F152-E200 HydrophobicContact CD2-CB 4.18Å; F152-E200 HydrophobicContact CE2-CB 3.59Å; F152-E200 HydrophobicContact CE2-CG 3.87Å; F152-E200 HydrophobicContact CZ-CB 4.34Å; F152-E200 HydrophobicContact CZ-CG 4.14Å; E200-E202 PolarHBondContact O-N 3.42Å; E200-A203 PolarHBondContact O-N 3.32Å; E200-Q204 WeakPolarHBondContact O-CG 3.42Å; E200-Q204 PolarHBondContact O-N 3.46Å; E200-Q204 VanDerWaalsContact O-N 3.15Å |
| 201 | P | 83.8 | Confident | 83.4 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.7 | -28.5 | -178 | 29 | -36.5 | 0 | 0 | 0 | 113.5 | G199 K205 | G199-P201 VanDerWaalsContact O-N 3.12Å; P201-K205 VanDerWaalsContact O-CG 3.31Å; P201-K205 WeakPolarHBondContact O-CG 3.48Å; P201-K205 PolarHBondContact O-N 3.44Å |
| 202 | E | 82.5 | Confident | 83.5 | Confident | 122 Ų | 122 | 71.3 Ų | 71.3 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -78.9 | -38.8 | 176.5 | -73.3 | 179.8 | -176 | 0 | 0 | 110.5 | I198 G199 E200 Q204 K205 L206 | I198-E202 HydrophobicContact CG2-CB 3.21Å; I198-E202 HydrophobicContact CG2-CG 4.46Å; G199-E202 PolarHBondContact O-N 3.19Å; E200-E202 PolarHBondContact O-N 3.42Å; E202-Q204 VanDerWaalsContact C-N 3.32Å; E202-Q204 PolarHBondContact O-N 3.37Å; E202-K205 PolarHBondContact O-N 3.1Å; E202-L206 WeakPolarHBondContact O-CG 3.45Å; E202-L206 PolarHBondContact O-N 3.46Å |
| 203 | A | 83 | Confident | 83.6 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F152 V154 I198 G199 E200 L206 K207 I219 | F152-A203 HydrophobicContact CB-CB 3.97Å; V154-A203 HydrophobicContact CG2-CB 4.2Å; I198-A203 HydrophobicContact CB-CB 4.49Å; I198-A203 HydrophobicContact CG2-CB 4.03Å; I198-A203 VanDerWaalsContact CG2-N 3.28Å; G199-A203 PolarHBondContact O-N 3.43Å; E200-A203 PolarHBondContact O-N 3.32Å; A203-L206 PolarHBondContact O-N 3.22Å; A203-K207 WeakPolarHBondContact O-CB 3.24Å; A203-K207 PolarHBondContact O-N 3.34Å; A203-I219 HydrophobicContact CB-CD1 4.3Å; A203-I219 HydrophobicContact CB-CG2 4.28Å |
| 204 | Q | 87.4 | Confident | 83.5 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 174.8 | -71 | 175.7 | 10.8 | 0 | 0 | 112.1 | E200 E202 L206 K207 E208 | E200-Q204 WeakPolarHBondContact O-CG 3.42Å; E200-Q204 PolarHBondContact O-N 3.46Å; E200-Q204 VanDerWaalsContact O-N 3.15Å; E202-Q204 VanDerWaalsContact C-N 3.32Å; E202-Q204 PolarHBondContact O-N 3.37Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; Q204-L206 PolarHBondContact O-N 3.36Å; Q204-K207 PolarHBondContact O-N 3.49Å; Q204-E208 WeakPolarHBondContact O-CG 3.49Å; Q204-E208 PolarHBondContact O-N 3.41Å |
| 205 | K | 88.7 | Confident | 83.7 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 175.6 | -73.1 | 173.7 | -176.7 | 178.9 | 0 | 112.2 | P201 E202 E208 Q209 | P201-K205 VanDerWaalsContact O-CG 3.31Å; P201-K205 WeakPolarHBondContact O-CG 3.48Å; P201-K205 PolarHBondContact O-N 3.44Å; E202-K205 PolarHBondContact O-N 3.1Å; K205-E208 PolarHBondContact O-N 3.46Å; K205-Q209 VanDerWaalsContact O-CG 3.3Å; K205-Q209 WeakPolarHBondContact O-CG 3.07Å; K205-Q209 PolarHBondContact O-N 3.22Å |
| 206 | L | 86.9 | Confident | 84.1 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.9 | -68.9 | -167.1 | 0 | 0 | 0 | 112.2 | L174 I198 E202 A203 Q204 E208 Q209 L210 | L174-L206 HydrophobicContact CD1-CD2 4.38Å; L174-L206 HydrophobicContact CD2-CD1 4.38Å; L174-L206 HydrophobicContact CD2-CD2 3.45Å; L174-L206 VanDerWaalsContact CD2-CD2 3.45Å; I198-L206 HydrophobicContact CD1-CD1 3.25Å; I198-L206 HydrophobicContact CD1-CG 4.46Å; E202-L206 WeakPolarHBondContact O-CG 3.45Å; E202-L206 PolarHBondContact O-N 3.46Å; A203-L206 PolarHBondContact O-N 3.22Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; Q204-L206 PolarHBondContact O-N 3.36Å; L206-E208 VanDerWaalsContact C-N 3.33Å; L206-E208 PolarHBondContact O-N 3.33Å; L206-Q209 PolarHBondContact O-N 3.32Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.21Å; L206-L210 PolarHBondContact O-N 3.4Å |
| 207 | K | 86.1 | Confident | 84.4 | Confident | 93 Ų | 93 | 63 Ų | 63 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.4 | 177.1 | 173.5 | -178 | 178.2 | 0 | 111.5 | A203 Q204 A211 C217 I219 | A203-K207 WeakPolarHBondContact O-CB 3.24Å; A203-K207 PolarHBondContact O-N 3.34Å; Q204-K207 PolarHBondContact O-N 3.49Å; K207-A211 WeakPolarHBondContact O-CB 3.42Å; K207-A211 PolarHBondContact O-N 3.36Å; K207-C217 WeakPolarHBondContact CE-O 3.45Å; K207-C217 HydrophobicContact CG-CB 4.21Å; K207-I219 HydrophobicContact CB-CD1 4.02Å; K207-I219 HydrophobicContact CB-CG1 4.4Å; K207-I219 HydrophobicContact CD-CD1 3.65Å; K207-I219 HydrophobicContact CD-CG1 3.98Å; K207-I219 HydrophobicContact CG-CD1 4.47Å |
| 208 | E | 89.4 | Confident | 84.9 | Confident | 136 Ų | 136 | 60.4 Ų | 60.4 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | 176.3 | -72.2 | 175.7 | -177.2 | 0 | 0 | 112.1 | Q204 K205 L206 A211 A212 | Q204-E208 WeakPolarHBondContact O-CG 3.49Å; Q204-E208 PolarHBondContact O-N 3.41Å; K205-E208 PolarHBondContact O-N 3.46Å; L206-E208 VanDerWaalsContact C-N 3.33Å; L206-E208 PolarHBondContact O-N 3.33Å; E208-A211 PolarHBondContact O-N 3.29Å; E208-A212 WeakPolarHBondContact O-CB 3.5Å; E208-A212 PolarHBondContact O-N 3.26Å |
| 209 | Q | 87.9 | Confident | 85.2 | Confident | 91 Ų | 91 | 62 Ų | 62 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 176.1 | -74.2 | 173.9 | -31.6 | 0 | 0 | 111.5 | K205 L206 A212 L213 | K205-Q209 VanDerWaalsContact O-CG 3.3Å; K205-Q209 WeakPolarHBondContact O-CG 3.07Å; K205-Q209 PolarHBondContact O-N 3.22Å; L206-Q209 PolarHBondContact O-N 3.32Å; Q209-A212 PolarHBondContact O-N 3.25Å; Q209-L213 VanDerWaalsContact O-CG 3.24Å; Q209-L213 WeakPolarHBondContact O-CG 2.9Å; Q209-L213 PolarHBondContact O-N 3.31Å |
| 210 | L | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 179.8 | -67.5 | 169.2 | 0 | 0 | 0 | 112.1 | V154 L156 L167 E170 L174 L206 L213 G214 G215 C217 | V154-L210 HydrophobicContact CG1-CD1 4.09Å; L156-L210 HydrophobicContact CD2-CB 4.4Å; L156-L210 HydrophobicContact CD2-CD1 4.16Å; L156-L210 HydrophobicContact CD2-CD2 4.44Å; L156-L210 HydrophobicContact CG-CD1 4.49Å; L167-L210 HydrophobicContact CD2-CD2 4.2Å; E170-L210 HydrophobicContact CB-CD2 4.49Å; E170-L210 HydrophobicContact CG-CD2 4.06Å; L174-L210 HydrophobicContact CD1-CD1 4.42Å; L174-L210 HydrophobicContact CD1-CD2 4.26Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.21Å; L206-L210 PolarHBondContact O-N 3.4Å; L210-L213 CarbonylContact O-C 3.56Å; L210-L213 PolarHBondContact O-N 3.44Å; L210-G214 PolarHBondContact O-N 3.24Å; L210-G215 WeakPolarHBondContact O-CA 2.98Å; L210-G215 PolarHBondContact O-N 3.27Å; L210-C217 WeakPolarHBondContact CB-SG 3.38Å; L210-C217 WeakPolarHBondContact CD1-SG 3.31Å |
| 211 | A | 86.6 | Confident | 85.4 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | K207 E208 L213 G214 G215 | K207-A211 WeakPolarHBondContact O-CB 3.42Å; K207-A211 PolarHBondContact O-N 3.36Å; E208-A211 PolarHBondContact O-N 3.29Å; A211-L213 PolarHBondContact O-N 3.35Å; A211-G214 PolarHBondContact O-N 3.45Å; A211-G215 WeakPolarHBondContact CA-O 3.12Å |
| 212 | A | 87.6 | Confident | 85.5 | Confident | 74 Ų | 74 | 63 Ų | 63 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.8 | -37.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K163 E208 Q209 G214 | K163-A212 PolarHBondContact NZ-O 3.32Å; E208-A212 WeakPolarHBondContact O-CB 3.5Å; E208-A212 PolarHBondContact O-N 3.26Å; Q209-A212 PolarHBondContact O-N 3.25Å; A212-G214 VanDerWaalsContact C-N 3.26Å; A212-G214 PolarHBondContact O-N 3.28Å |
| 213 | L | 86.2 | Confident | 85.6 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.2 | 176.7 | -59.2 | 175.6 | 0 | 0 | 0 | 114 | K163 A166 L167 E170 Q209 L210 A211 | K163-L213 WeakPolarHBondContact CB-O 3.44Å; K163-L213 WeakPolarHBondContact CD-O 3.34Å; A166-L213 HydrophobicContact CB-CD2 3.84Å; L167-L213 HydrophobicContact CD2-CB 3.66Å; L167-L213 HydrophobicContact CG-CB 4.24Å; E170-L213 HydrophobicContact CB-CD1 3.56Å; E170-L213 HydrophobicContact CG-CD1 3.73Å; Q209-L213 VanDerWaalsContact O-CG 3.24Å; Q209-L213 WeakPolarHBondContact O-CG 2.9Å; Q209-L213 PolarHBondContact O-N 3.31Å; L210-L213 CarbonylContact O-C 3.56Å; L210-L213 PolarHBondContact O-N 3.44Å; A211-L213 PolarHBondContact O-N 3.35Å |
| 214 | G | 82.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 24.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F159 D160 L210 A211 A212 | F159-G214 CarbonylContact C-O 3.6Å; D160-G214 PolarHBondContact N-O 2.9Å; D160-G214 WeakPolarHBondContact OD2-CA 3.33Å; L210-G214 PolarHBondContact O-N 3.24Å; A211-G214 PolarHBondContact O-N 3.45Å; A212-G214 VanDerWaalsContact C-N 3.26Å; A212-G214 PolarHBondContact O-N 3.28Å |
| 215 | G | 85.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K158 L210 A211 C217 | K158-G215 CarbonylContact O-C 3.57Å; K158-G215 WeakPolarHBondContact O-CA 3.31Å; L210-G215 WeakPolarHBondContact O-CA 2.98Å; L210-G215 PolarHBondContact O-N 3.27Å; A211-G215 WeakPolarHBondContact CA-O 3.12Å; G215-C217 PolarHBondContact O-N 3.48Å |
| 216 | E | 84.1 | Confident | 85.5 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 109.9 | 169.3 | -166.6 | 176 | -166.2 | 0 | 0 | 108.7 | L157 K158 | L157-E216 PolarHBondContact N-O 3.36Å; K158-E216 HydrophobicContact CB-CB 3.98Å; K158-E216 WeakPolarHBondContact CD-OE2 3.46Å; K158-E216 IonicContact NZ-OE2 2.67Å; K158-E216 PolarHBondContact NZ-OE2 3.49Å; K158-E216 PolarHBondContact O-N 3.22Å |
| 217 | C | 84.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.4 | -179.6 | -52.9 | 0 | 0 | 0 | 0 | 112 | V154 K155 L156 K207 L210 G215 | V154-C217 HydrophobicContact CG1-CB 4.05Å; K155-C217 CarbonylContact O-C 3.57Å; K155-C217 VanDerWaalsContact O-CA 3.25Å; K155-C217 WeakPolarHBondContact O-CA 3.46Å; L156-C217 WeakPolarHBondContact CD2-SG 3.49Å; K207-C217 WeakPolarHBondContact CE-O 3.45Å; K207-C217 HydrophobicContact CG-CB 4.21Å; L210-C217 WeakPolarHBondContact CB-SG 3.38Å; L210-C217 WeakPolarHBondContact CD1-SG 3.31Å; G215-C217 PolarHBondContact O-N 3.48Å |
| 218 | T | 84.9 | Confident | 85.3 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.7 | 168.9 | -62 | 0 | 0 | 0 | 0 | 109 | K155 L157 E220 | K155-T218 PolarHBondContact N-O 3.32Å; K155-T218 PolarHBondContact O-N 3.44Å; L157-T218 WeakPolarHBondContact CD1-OG1 3.39Å; T218-E220 HydrophobicContact CG2-CG 4.32Å |
| 219 | I | 81.5 | Confident | 85 | Confident | 49 Ų | 49 | 50 Ų | 50 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.5 | 173.3 | -59.1 | 172.2 | 0 | 0 | 0 | 105.6 | F152 A203 K207 | F152-I219 HydrophobicContact CB-CG2 3.68Å; F152-I219 HydrophobicContact CD1-CG2 3.52Å; F152-I219 HydrophobicContact CE1-CG2 4.41Å; F152-I219 HydrophobicContact CG-CG2 3.84Å; A203-I219 HydrophobicContact CB-CD1 4.3Å; A203-I219 HydrophobicContact CB-CG2 4.28Å; K207-I219 HydrophobicContact CB-CD1 4.02Å; K207-I219 HydrophobicContact CB-CG1 4.4Å; K207-I219 HydrophobicContact CD-CD1 3.65Å; K207-I219 HydrophobicContact CD-CG1 3.98Å; K207-I219 HydrophobicContact CG-CD1 4.47Å |
| 220 | E | 80.9 | Confident | 84.7 | Confident | 118 Ų | 118 | 46.3 Ų | 46.3 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | trans | -110.7 | 0 | 172.8 | -70.9 | -177.3 | -163.7 | 0 | 0 | 112.1 | F152 A153 K155 T218 | F152-E220 CarbonylContact C-O 3.5Å; F152-E220 VanDerWaalsContact CA-O 3.22Å; F152-E220 WeakPolarHBondContact CA-O 3.5Å; A153-E220 PolarHBondContact N-O 3.47Å; A153-E220 PolarHBondContact O-N 3.22Å; K155-E220 WeakPolarHBondContact CD-OE1 3.39Å; K155-E220 VanDerWaalsContact CE-OE2 3.32Å; K155-E220 WeakPolarHBondContact CE-OE2 3.44Å; K155-E220 IonicContact NZ-OE1 2.65Å; K155-E220 PolarHBondContact NZ-OE1 3.21Å; K155-E220 IonicContact NZ-OE2 2.7Å; K155-E220 PolarHBondContact NZ-OE2 3.44Å; T218-E220 HydrophobicContact CG2-CG 4.32Å |
Retrieved 220 of 220 residues in 102.8 ms
(Link to these results)