| 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 | V | 40.1 | Very low | 41 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 100% | 1.2 | 86% | 0.86 | S | S | * | * | 0 | 92.6 | 0 | -179 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 2 | T | 40.3 | Very low | 40.5 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | -128.5 | 116.8 | -179.5 | -51.3 | 0 | 0 | 0 | 0 | 106.9 | G4 | T2-G4 PolarHBondContact O-N 3.26Š| ||
| 3 | A | 39.7 | Very low | 40.5 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | -58.2 | 127.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q5 | A3-Q5 PolarHBondContact O-N 2.91Š| ||
| 4 | G | 39.5 | Very low | 40.2 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -71.4 | 109.3 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | T2 | T2-G4 PolarHBondContact O-N 3.26Š| ||
| 5 | Q | 41.5 | Very low | 39.9 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -89.2 | 109.5 | 174.3 | -163 | 166.3 | 1.7 | 0 | 0 | 108 | A3 | A3-Q5 PolarHBondContact O-N 2.91Š| ||
| 6 | T | 43.8 | Very low | 39.8 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 127.6 | 174.8 | 32.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 7 | P | 52.4 | Low | 39.7 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 139.9 | 168.6 | 29.4 | -29.7 | 0 | 0 | 0 | 110.5 | ||
| 8 | P | 47.1 | Very low | 39.9 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 139.5 | -175.4 | 32 | -32.4 | 0 | 0 | 0 | 112.9 | ||
| 9 | G | 36.2 | Very low | 39.9 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | 62.4 | 85.2 | 133.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | L11 | G9-L11 PolarHBondContact O-N 3.2Å; G9-L11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | F | 34.9 | Very low | 39.8 | Very low | 211 Ų | 211 | 130.5 Ų | 130.5 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -62.5 | 102.6 | 160.3 | -119.1 | -104.4 | 0 | 0 | 0 | 110.1 | S12 | F10-S12 PolarHBondContact O-N 3.1Š| ||
| 11 | L | 35.1 | Very low | 39.7 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -84.1 | 95.7 | 164.6 | -112.7 | 94 | 0 | 0 | 0 | 108.6 | G9 V13 | G9-L11 PolarHBondContact O-N 3.2Å; G9-L11 VanDerWaalsContact O-N 3.13Å; L11-V13 PolarHBondContact O-N 3.15Å | ||
| 12 | S | 35.1 | Very low | 39.8 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 81% | 0.812 | S | S | * | * | trans | -86.5 | 99.7 | 175.1 | -166 | 0 | 0 | 0 | 0 | 110.4 | F10 H14 | F10-S12 PolarHBondContact O-N 3.1Å; S12-H14 PolarHBondContact O-N 2.81Å; S12-H14 PolarHBondContact O-ND1 3.49Å; S12-H14 VanDerWaalsContact O-ND1 3.16Å | ||
| 13 | V | 41.3 | Very low | 39.9 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -71.5 | 114.4 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | L11 G15 | L11-V13 PolarHBondContact O-N 3.15Å; V13-G15 PolarHBondContact O-N 2.82Å | ||
| 14 | H | 36.5 | Very low | 39.9 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -75.1 | 83.9 | 175 | -72.1 | 65.2 | 0 | 0 | 0 | 110.4 | S12 K16 | S12-H14 PolarHBondContact O-N 2.81Å; S12-H14 PolarHBondContact O-ND1 3.49Å; S12-H14 VanDerWaalsContact O-ND1 3.16Å; H14-K16 PolarHBondContact O-N 3.21Å | ||
| 15 | G | 34.7 | Very low | 40 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -81.6 | 108.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V13 S17 | V13-G15 PolarHBondContact O-N 2.82Å; G15-S17 PolarHBondContact O-N 3.46Å; G15-S17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | K | 38.5 | Very low | 40.1 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -66.1 | 104.7 | 174.3 | -66.3 | 178.7 | 178.3 | 179.1 | 0 | 109.8 | H14 T18 | H14-K16 PolarHBondContact O-N 3.21Å; K16-T18 PolarHBondContact O-N 2.85Å | ||
| 17 | S | 38.8 | Very low | 40.4 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -72.5 | 104.9 | 173.9 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | G15 A19 | G15-S17 PolarHBondContact O-N 3.46Å; G15-S17 VanDerWaalsContact O-N 3.11Å; S17-A19 PolarHBondContact O-N 2.95Å | ||
| 18 | T | 42.6 | Very low | 40.4 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -68.6 | 115.6 | 168.8 | 40.8 | 0 | 0 | 0 | 0 | 109.2 | K16 G20 | K16-T18 PolarHBondContact O-N 2.85Å; T18-G20 PolarHBondContact O-N 2.94Å | ||
| 19 | A | 39.2 | Very low | 41 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -68.1 | 77.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S17 R21 | S17-A19 PolarHBondContact O-N 2.95Å; A19-R21 PolarHBondContact O-N 3.37Å; A19-R21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | G | 37.9 | Very low | 42.3 | Very low | 68 Ų | 68 | 145.7 Ų | 145.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 104.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | T18 R22 | T18-G20 PolarHBondContact O-N 2.94Å; G20-R22 VanDerWaalsContact C-N 3.34Å; G20-R22 PolarHBondContact O-N 2.85Å | ||
| 21 | R | 38.9 | Very low | 43.9 | Very low | 238 Ų | 238 | 138.7 Ų | 138.7 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -49.6 | 90.1 | 172.3 | -178.9 | -172.3 | -98.6 | -157.4 | -5.3 | 110.1 | A19 Q23 | A19-R21 PolarHBondContact O-N 3.37Å; A19-R21 VanDerWaalsContact O-N 3.11Å; R21-Q23 PolarHBondContact O-N 3.1Å | ||
| 22 | R | 42.5 | Very low | 45.6 | Very low | 240 Ų | 240 | 133.7 Ų | 133.7 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | -61.4 | 104.8 | 170.8 | -103.9 | 175.8 | 153 | -174.2 | -6.1 | 107.8 | G20 K24 | G20-R22 VanDerWaalsContact C-N 3.34Å; G20-R22 PolarHBondContact O-N 2.85Å; R22-K24 PolarHBondContact O-N 3.28Å; R22-K24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | Q | 40.7 | Very low | 47.7 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 117.6 | 164 | -73.4 | 178.9 | -17 | 0 | 0 | 107.3 | R21 P25 | R21-Q23 PolarHBondContact O-N 3.1Å; Q23-P25 WeakPolarHBondContact O-CD 3.44Å |
| 24 | K | 40.3 | Very low | 49.4 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.5 | 172.9 | -98.5 | -178.3 | 173.5 | -179.8 | 0 | 107.3 | R22 A26 | R22-K24 PolarHBondContact O-N 3.28Å; R22-K24 VanDerWaalsContact O-N 3.15Å; K24-A26 PolarHBondContact O-N 3.37Å |
| 25 | P | 42.1 | Very low | 51.8 | Low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.6 | 172.2 | 24.2 | -31.2 | 0 | 0 | 0 | 108.1 | Q23 S27 | Q23-P25 WeakPolarHBondContact O-CD 3.44Å; P25-S27 PolarHBondContact O-N 2.7Å; P25-S27 VanDerWaalsContact O-N 3.13Å |
| 26 | A | 44.5 | Very low | 54.2 | Low | 93 Ų | 93 | 134.1 Ų | 134.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 121.5 | 175 | 0 | 0 | 0 | 0 | 0 | 108.8 | K24 R28 | K24-A26 PolarHBondContact O-N 3.37Å; A26-R28 PolarHBondContact O-N 3.49Å |
| 27 | S | 48.8 | Very low | 56.7 | Low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -53 | 100.1 | -176.1 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | P25 G29 | P25-S27 PolarHBondContact O-N 2.7Å; P25-S27 VanDerWaalsContact O-N 3.13Å; S27-G29 PolarHBondContact O-N 2.88Å | ||
| 28 | R | 53.3 | Low | 59 | Low | 254 Ų | 254 | 131.3 Ų | 131.3 | 96% | 0.958 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -68.7 | 90.1 | 166.5 | -68.8 | -174.9 | -170.1 | 174 | 2.8 | 106.4 | A26 | A26-R28 PolarHBondContact O-N 3.49Š|
| 29 | G | 59.3 | Low | 61.1 | Low | 42 Ų | 42 | 133.7 Ų | 133.7 | 43% | 0.433 | 72% | 0.724 | S | S | . | * | S | Bend | trans | 77.4 | 157.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S27 G31 | S27-G29 PolarHBondContact O-N 2.88Å; G29-G31 PolarHBondContact O-N 2.99Å |
| 30 | P | 63.9 | Low | 63.4 | Low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -60.6 | 113.3 | 166.6 | 25 | -29.2 | 0 | 0 | 0 | 107.2 | T32 | P30-T32 PolarHBondContact O-N 2.79Š| ||
| 31 | G | 68.5 | Low | 65.7 | Low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 143.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G29 | G29-G31 PolarHBondContact O-N 2.99Š|
| 32 | T | 69.8 | Low | 67.9 | Low | 58 Ų | 58 | 132 Ų | 132 | 36% | 0.356 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 126.4 | 174.8 | 40.9 | 0 | 0 | 0 | 0 | 109.3 | P30 S44 | P30-T32 PolarHBondContact O-N 2.79Å; T32-S44 VanDerWaalsContact CG2-OG 3.31Å; T32-S44 WeakPolarHBondContact CG2-OG 3.42Å |
| 33 | P | 79.6 | Confident | 70.1 | Confident | 82 Ų | 82 | 126.3 Ų | 126.3 | 53% | 0.532 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 146.7 | -178.3 | 25.4 | -33.3 | 0 | 0 | 0 | 110.9 | I35 I36 | P33-I35 PolarHBondContact O-N 3.36Å; P33-I36 HydrophobicContact CG-CB 4.41Å; P33-I36 HydrophobicContact CG-CD1 4.27Å |
| 34 | D | 77 | Confident | 72.3 | Confident | 171 Ų | 171 | 118.8 Ų | 118.8 | 91% | 0.914 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -62.1 | -30 | -176.2 | -64.4 | -26.4 | 0 | 0 | 0 | 112.9 | ||
| 35 | I | 85.9 | Confident | 74.5 | Confident | 166 Ų | 166 | 114.6 Ų | 114.6 | 85% | 0.851 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -110.8 | 102.2 | 178.5 | -52.8 | 174.1 | 0 | 0 | 0 | 108.4 | P33 | P33-I35 PolarHBondContact O-N 3.36Š|
| 36 | I | 86.9 | Confident | 76.8 | Confident | 52 Ų | 52 | 113.8 Ų | 113.8 | 27% | 0.267 | 60% | 0.604 | S | S | . | * | trans | -143.8 | 144.9 | 178.9 | -169.4 | 164.7 | 0 | 0 | 0 | 110.1 | P33 M40 L41 | P33-I36 HydrophobicContact CG-CB 4.41Å; P33-I36 HydrophobicContact CG-CD1 4.27Å; I36-M40 HydrophobicContact CD1-CB 3.68Å; I36-M40 HydrophobicContact CG1-CB 3.47Å; I36-M40 VanDerWaalsContact CG1-CB 3.47Å; I36-L41 HydrophobicContact CG2-CB 3.89Å; I36-L41 HydrophobicContact CG2-CD1 4.01Å; I36-L41 HydrophobicContact CG2-CG 4.44Å | ||
| 37 | F | 91.2 | Very high | 78.8 | Confident | 163 Ų | 163 | 113 Ų | 113 | 72% | 0.715 | 59% | 0.586 | S | S | * | * | trans | -60.4 | 141.9 | 176.9 | -64.5 | -74 | 0 | 0 | 0 | 110.7 | R39 M40 L41 | F37-R39 PolarHBondContact O-N 2.76Å; F37-M40 HydrophobicContact CB-CB 4.48Å; F37-M40 HydrophobicContact CB-CG 4.49Å; F37-M40 WeakPolarHBondContact O-CA 3.41Å; F37-M40 PolarHBondContact O-N 3.43Å; F37-L41 PolarHBondContact O-N 2.98Å | ||
| 38 | P | 85.3 | Confident | 80.7 | Confident | 96 Ų | 96 | 113.1 Ų | 113.1 | 62% | 0.623 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -52.6 | -34.6 | -178.6 | -29.6 | 35 | 0 | 0 | 0 | 114.1 | L41 R42 | P38-L41 PolarHBondContact O-N 3.01Å; P38-R42 WeakPolarHBondContact O-CG 3.4Å; P38-R42 PolarHBondContact O-N 2.88Å; P38-R42 VanDerWaalsContact O-N 3.1Å |
| 39 | R | 86.7 | Confident | 82.4 | Confident | 183 Ų | 183 | 104.9 Ų | 104.9 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.1 | -45.7 | 174.7 | -175.1 | 176.6 | -178.6 | 89 | -0.3 | 112 | F37 L41 R42 W43 | F37-R39 PolarHBondContact O-N 2.76Å; R39-L41 VanDerWaalsContact C-N 3.35Å; R39-R42 PolarHBondContact O-N 2.87Å; R39-W43 PolarHBondContact O-N 2.95Å |
| 40 | M | 87.3 | Confident | 83.9 | Confident | 104 Ų | 104 | 110.2 Ų | 110.2 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.6 | -32.6 | 179.7 | -72.1 | -59.5 | -67.5 | 0 | 0 | 111.7 | I36 F37 W43 S44 | I36-M40 HydrophobicContact CD1-CB 3.68Å; I36-M40 HydrophobicContact CG1-CB 3.47Å; I36-M40 VanDerWaalsContact CG1-CB 3.47Å; F37-M40 HydrophobicContact CB-CB 4.48Å; F37-M40 HydrophobicContact CB-CG 4.49Å; F37-M40 WeakPolarHBondContact O-CA 3.41Å; F37-M40 PolarHBondContact O-N 3.43Å; M40-W43 PolarHBondContact O-N 2.91Å; M40-S44 WeakPolarHBondContact O-CB 3.35Å; M40-S44 PolarHBondContact O-N 3.44Å; M40-S44 PolarHBondContact O-OG 3Å |
| 41 | L | 86.7 | Confident | 85.2 | Confident | 72 Ų | 72 | 111.3 Ų | 111.3 | 38% | 0.377 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61 | -45.1 | 171 | -175.7 | 60.9 | 0 | 0 | 0 | 112 | I36 F37 P38 R39 W43 S44 I45 | I36-L41 HydrophobicContact CG2-CB 3.89Å; I36-L41 HydrophobicContact CG2-CD1 4.01Å; I36-L41 HydrophobicContact CG2-CG 4.44Å; F37-L41 PolarHBondContact O-N 2.98Å; P38-L41 PolarHBondContact O-N 3.01Å; R39-L41 VanDerWaalsContact C-N 3.35Å; L41-W43 VanDerWaalsContact C-N 3.34Å; L41-W43 PolarHBondContact O-N 2.8Å; L41-S44 WeakPolarHBondContact CA-OG 2.78Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-OG 2.76Å; L41-I45 HydrophobicContact CD1-CD1 4.29Å; L41-I45 HydrophobicContact CD1-CG1 4.46Å; L41-I45 HydrophobicContact CG-CD1 4.07Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.27Å; L41-I45 PolarHBondContact O-N 3.36Å |
| 42 | R | 86 | Confident | 86 | Confident | 196 Ų | 196 | 114.1 Ų | 114.1 | 74% | 0.74 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.1 | -44.1 | 177.2 | -72.6 | -179.8 | -173.8 | 174.6 | 2.6 | 111.7 | P38 R39 M46 | P38-R42 WeakPolarHBondContact O-CG 3.4Å; P38-R42 PolarHBondContact O-N 2.88Å; P38-R42 VanDerWaalsContact O-N 3.1Å; R39-R42 PolarHBondContact O-N 2.87Å; R42-M46 PolarHBondContact O-N 3.47Å; R42-M46 VanDerWaalsContact O-N 3.11Å |
| 43 | W | 87.6 | Confident | 87.1 | Confident | 122 Ų | 122 | 120.1 Ų | 120.1 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -38.2 | 175.6 | -73.8 | 113.2 | 0 | 0 | 0 | 112.5 | R39 M40 L41 M46 L47 | R39-W43 PolarHBondContact O-N 2.95Å; M40-W43 PolarHBondContact O-N 2.91Å; L41-W43 VanDerWaalsContact C-N 3.34Å; L41-W43 PolarHBondContact O-N 2.8Å; W43-M46 HydrophobicContact CE3-SD 3.79Å; W43-M46 HydrophobicContact CZ3-SD 3.61Å; W43-M46 PolarHBondContact O-N 2.86Å; W43-L47 WeakPolarHBondContact O-CB 3.46Å; W43-L47 VanDerWaalsContact O-CG 3.27Å; W43-L47 WeakPolarHBondContact O-CG 3.42Å; W43-L47 PolarHBondContact O-N 3.45Å |
| 44 | S | 87.6 | Confident | 87.3 | Confident | 19 Ų | 19 | 123.9 Ų | 123.9 | 13% | 0.133 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -66.6 | -41.9 | 179.2 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | T32 M40 L41 M46 L47 N48 | T32-S44 VanDerWaalsContact CG2-OG 3.31Å; T32-S44 WeakPolarHBondContact CG2-OG 3.42Å; M40-S44 WeakPolarHBondContact O-CB 3.35Å; M40-S44 PolarHBondContact O-N 3.44Å; M40-S44 PolarHBondContact O-OG 3Å; L41-S44 WeakPolarHBondContact CA-OG 2.78Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-OG 2.76Å; S44-M46 VanDerWaalsContact C-N 3.32Å; S44-M46 PolarHBondContact O-N 3.33Å; S44-L47 PolarHBondContact O-N 2.96Å; S44-N48 WeakPolarHBondContact O-CB 3.25Å; S44-N48 PolarHBondContact O-N 3.39Å; S44-N48 PolarHBondContact O-ND2 3.07Å |
| 45 | I | 87.1 | Confident | 87.9 | Confident | 112 Ų | 112 | 120 Ų | 120 | 57% | 0.574 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59 | -46.7 | 173.5 | -66.7 | 166.2 | 0 | 0 | 0 | 110.1 | L41 L47 N48 | L41-I45 HydrophobicContact CD1-CD1 4.29Å; L41-I45 HydrophobicContact CD1-CG1 4.46Å; L41-I45 HydrophobicContact CG-CD1 4.07Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.27Å; L41-I45 PolarHBondContact O-N 3.36Å; I45-L47 PolarHBondContact O-N 3.02Å; I45-N48 PolarHBondContact O-N 2.91Å |
| 46 | M | 89 | Confident | 88.1 | Confident | 101 Ų | 101 | 120 Ų | 120 | 50% | 0.498 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 178.5 | -173.7 | -170 | -177.4 | 0 | 0 | 112 | R42 W43 S44 A49 Y50 | R42-M46 PolarHBondContact O-N 3.47Å; R42-M46 VanDerWaalsContact O-N 3.11Å; W43-M46 HydrophobicContact CE3-SD 3.79Å; W43-M46 HydrophobicContact CZ3-SD 3.61Å; W43-M46 PolarHBondContact O-N 2.86Å; S44-M46 VanDerWaalsContact C-N 3.32Å; S44-M46 PolarHBondContact O-N 3.33Å; M46-A49 PolarHBondContact O-N 3.48Å; M46-Y50 VanDerWaalsContact O-CD2 3.29Å; M46-Y50 WeakPolarHBondContact O-CD2 3.48Å; M46-Y50 WeakPolarHBondContact O-CE2 3.27Å |
| 47 | L | 88.2 | Confident | 88.2 | Confident | 76 Ų | 76 | 122.9 Ų | 122.9 | 40% | 0.398 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.3 | -28.9 | -176.9 | -71.5 | 173.6 | 0 | 0 | 0 | 112.9 | W43 S44 I45 A49 Y50 F52 | W43-L47 WeakPolarHBondContact O-CB 3.46Å; W43-L47 VanDerWaalsContact O-CG 3.27Å; W43-L47 WeakPolarHBondContact O-CG 3.42Å; W43-L47 PolarHBondContact O-N 3.45Å; S44-L47 PolarHBondContact O-N 2.96Å; I45-L47 PolarHBondContact O-N 3.02Å; L47-A49 PolarHBondContact O-N 2.9Å; L47-Y50 PolarHBondContact O-N 3.16Å; L47-Y50 VanDerWaalsContact O-O 3.05Å; L47-F52 HydrophobicContact CB-CD1 4.49Å; L47-F52 HydrophobicContact CB-CE1 3.86Å; L47-F52 HydrophobicContact CB-CZ 4.39Å |
| 48 | N | 88 | Confident | 88.2 | Confident | 109 Ų | 109 | 118.2 Ų | 118.2 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.6 | -19.7 | 176.7 | -77.6 | -17.2 | 0 | 0 | 0 | 113.4 | S44 I45 Y50 | S44-N48 WeakPolarHBondContact O-CB 3.25Å; S44-N48 PolarHBondContact O-N 3.39Å; S44-N48 PolarHBondContact O-ND2 3.07Å; I45-N48 PolarHBondContact O-N 2.91Å; N48-Y50 PolarHBondContact O-N 3.26Å |
| 49 | A | 88.7 | Confident | 88.1 | Confident | 81 Ų | 81 | 116.5 Ų | 116.5 | 67% | 0.669 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -12.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M46 L47 | M46-A49 PolarHBondContact O-N 3.48Å; L47-A49 PolarHBondContact O-N 2.9Å |
| 50 | Y | 90.4 | Very high | 88.1 | Confident | 155 Ų | 155 | 112.8 Ų | 112.8 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -121.6 | 145 | -175.2 | -57.6 | -86.3 | 0 | 0 | 0 | 111.1 | M46 L47 N48 | M46-Y50 VanDerWaalsContact O-CD2 3.29Å; M46-Y50 WeakPolarHBondContact O-CD2 3.48Å; M46-Y50 WeakPolarHBondContact O-CE2 3.27Å; L47-Y50 PolarHBondContact O-N 3.16Å; L47-Y50 VanDerWaalsContact O-O 3.05Å; N48-Y50 PolarHBondContact O-N 3.26Å |
| 51 | T | 91.4 | Very high | 88.1 | Confident | 155 Ų | 155 | 113.9 Ų | 113.9 | 95% | 0.951 | 59% | 0.594 | S | S | * | * | trans | -85.4 | 115.6 | 164.8 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 52 | F | 86.4 | Confident | 88 | Confident | 124 Ų | 124 | 114 Ų | 114 | 54% | 0.544 | 60% | 0.595 | S | S | . | * | trans | -129.2 | 153.5 | -178.7 | 66 | -88.2 | 0 | 0 | 0 | 112.2 | L47 | L47-F52 HydrophobicContact CB-CD1 4.49Å; L47-F52 HydrophobicContact CB-CE1 3.86Å; L47-F52 HydrophobicContact CB-CZ 4.39Å | ||
| 53 | K | 91.2 | Very high | 88.1 | Confident | 184 Ų | 184 | 106.7 Ų | 106.7 | 80% | 0.8 | 58% | 0.58 | S | S | * | * | trans | -115.3 | 118.7 | 171.3 | -178.8 | -179.8 | 178.3 | 177.7 | 0 | 108.3 | V55 | K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.06Å; K53-V55 PolarHBondContact O-N 2.79Å | ||
| 54 | L | 85 | Confident | 88.1 | Confident | 160 Ų | 160 | 106.2 Ų | 106.2 | 84% | 0.838 | 59% | 0.587 | S | S | * | * | trans | -76.6 | 117.9 | 176 | -170.3 | 63.5 | 0 | 0 | 0 | 109.4 | ||||
| 55 | V | 89.8 | Confident | 88 | Confident | 89 Ų | 89 | 107.6 Ų | 107.6 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | trans | -120.9 | 115.2 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | K53 | K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.06Å; K53-V55 PolarHBondContact O-N 2.79Å | ||
| 56 | H | 89.2 | Confident | 87.9 | Confident | 166 Ų | 166 | 105.8 Ų | 105.8 | 77% | 0.769 | 59% | 0.591 | S | S | * | * | trans | -69.7 | 133.5 | 172.6 | 174.2 | -103.1 | 0 | 0 | 0 | 110 | ||||
| 57 | K | 88.6 | Confident | 87.8 | Confident | 113 Ų | 113 | 103.7 Ų | 103.7 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | trans | -125.4 | 138.1 | 169.7 | -63.8 | -168.6 | 177.6 | -174.5 | 0 | 108.2 | L62 | K57-L62 HydrophobicContact CB-CG 4.45Å; K57-L62 WeakPolarHBondContact O-CD1 3.43Å | ||
| 58 | P | 91.1 | Very high | 87.6 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 43% | 0.429 | 60% | 0.604 | S | S | . | * | trans | -62.2 | 149.4 | 177.4 | 26.3 | -33.5 | 0 | 0 | 0 | 111 | A60 Q61 | P58-A60 PolarHBondContact O-N 2.87Å; P58-A60 VanDerWaalsContact O-N 3.07Å; P58-Q61 HydrophobicContact CG-CB 4.5Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 PolarHBondContact O-N 3.07Å | ||
| 59 | G | 83.6 | Confident | 87.5 | Confident | 60 Ų | 60 | 105.7 Ų | 105.7 | 62% | 0.619 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -49 | -37.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q61 L62 | G59-Q61 PolarHBondContact O-N 3.08Å; G59-Q61 VanDerWaalsContact O-N 3.15Å; G59-L62 PolarHBondContact O-N 3.49Å |
| 60 | A | 86.8 | Confident | 87.2 | Confident | 104 Ų | 104 | 110.4 Ų | 110.4 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -61.3 | -23.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P58 | P58-A60 PolarHBondContact O-N 2.87Å; P58-A60 VanDerWaalsContact O-N 3.07Å |
| 61 | Q | 86.8 | Confident | 86.8 | Confident | 127 Ų | 127 | 110.3 Ų | 110.3 | 59% | 0.593 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -97.8 | -0.7 | 177.8 | -63.5 | -179 | 7.8 | 0 | 0 | 113.3 | P58 G59 | P58-Q61 HydrophobicContact CG-CB 4.5Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 PolarHBondContact O-N 3.07Å; G59-Q61 PolarHBondContact O-N 3.08Å; G59-Q61 VanDerWaalsContact O-N 3.15Å |
| 62 | L | 84.5 | Confident | 86 | Confident | 76 Ų | 76 | 107.1 Ų | 107.1 | 40% | 0.398 | 60% | 0.595 | S | S | . | * | trans | -95.9 | 8.2 | 178.5 | -77.4 | 144.2 | 0 | 0 | 0 | 112.7 | K57 G59 N64 A65 D66 | K57-L62 HydrophobicContact CB-CG 4.45Å; K57-L62 WeakPolarHBondContact O-CD1 3.43Å; G59-L62 PolarHBondContact O-N 3.49Å; L62-N64 PolarHBondContact O-N 3.31Å; L62-N64 VanDerWaalsContact O-N 3.11Å; L62-A65 HydrophobicContact CD2-CB 4.32Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 3.47Å; L62-D66 PolarHBondContact O-N 3.48Å | ||
| 63 | G | 88.2 | Confident | 85.3 | Confident | 42 Ų | 42 | 111.8 Ų | 111.8 | 43% | 0.433 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -56.4 | -30.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | A67 | G63-A67 VanDerWaalsContact O-CB 3.24Å; G63-A67 WeakPolarHBondContact O-CB 3.18Å; G63-A67 PolarHBondContact O-N 3.43Å |
| 64 | N | 87.6 | Confident | 84.3 | Confident | 111 Ų | 111 | 110.3 Ų | 110.3 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.8 | -44.3 | 173.3 | 63.9 | -33.7 | 0 | 0 | 0 | 112.6 | L62 D66 L68 | L62-N64 PolarHBondContact O-N 3.31Å; L62-N64 VanDerWaalsContact O-N 3.11Å; N64-D66 VanDerWaalsContact C-N 3.35Å; N64-L68 WeakPolarHBondContact O-CB 3.44Å; N64-L68 VanDerWaalsContact O-CG 3.27Å; N64-L68 WeakPolarHBondContact O-CG 3.49Å; N64-L68 PolarHBondContact O-N 3.21Å |
| 65 | A | 85.7 | Confident | 83.3 | Confident | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L62 S69 | L62-A65 HydrophobicContact CD2-CB 4.32Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 3.47Å; A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.32Å; A65-S69 PolarHBondContact O-N 3.22Å; A65-S69 PolarHBondContact O-OG 3.07Å |
| 66 | D | 84.8 | Confident | 82.3 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 40% | 0.396 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.2 | -51.7 | 175.6 | -173.1 | 73 | 0 | 0 | 0 | 111.1 | L62 N64 L68 S69 R70 | L62-D66 PolarHBondContact O-N 3.48Å; N64-D66 VanDerWaalsContact C-N 3.35Å; D66-L68 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-N 3.27Å; D66-S69 PolarHBondContact O-OG 2.69Å; D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.48Å; D66-R70 PolarHBondContact O-N 2.86Å; D66-R70 VanDerWaalsContact O-N 3.11Å; D66-R70 IonicContact OD1-CZ 3.27Å; D66-R70 VanDerWaalsContact OD1-CZ 3.27Å; D66-R70 IonicContact OD1-NE 2.87Å; D66-R70 PolarHBondContact OD1-NE 3.39Å; D66-R70 IonicContact OD1-NH2 2.79Å; D66-R70 PolarHBondContact OD1-NH2 2.91Å; D66-R70 WeakPolarHBondContact OD2-CD 3.41Å; D66-R70 IonicContact OD2-CZ 3.69Å; D66-R70 IonicContact OD2-NE 2.84Å; D66-R70 PolarHBondContact OD2-NE 3.22Å; D66-R70 IonicContact OD2-NH2 3.75Å |
| 67 | A | 87.3 | Confident | 81.2 | Confident | 56 Ų | 56 | 107.3 Ų | 107.3 | 46% | 0.463 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.4 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | G63 R70 F71 | G63-A67 VanDerWaalsContact O-CB 3.24Å; G63-A67 WeakPolarHBondContact O-CB 3.18Å; G63-A67 PolarHBondContact O-N 3.43Å; A67-R70 PolarHBondContact O-N 2.8Å; A67-F71 PolarHBondContact O-N 3.37Å |
| 68 | L | 85.1 | Confident | 80.6 | Confident | 134 Ų | 134 | 107.4 Ų | 107.4 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.8 | -33.5 | 179.2 | -71.6 | 173.8 | 0 | 0 | 0 | 112.6 | N64 D66 R70 | N64-L68 WeakPolarHBondContact O-CB 3.44Å; N64-L68 VanDerWaalsContact O-CG 3.27Å; N64-L68 WeakPolarHBondContact O-CG 3.49Å; N64-L68 PolarHBondContact O-N 3.21Å; D66-L68 PolarHBondContact O-N 2.89Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 3.28Å |
| 69 | S | 84.8 | Confident | 80.2 | Confident | 94 Ų | 94 | 113.2 Ų | 113.2 | 66% | 0.657 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.3 | -25.5 | 175.8 | 74.1 | 0 | 0 | 0 | 0 | 112.9 | A65 D66 | A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.32Å; A65-S69 PolarHBondContact O-N 3.22Å; A65-S69 PolarHBondContact O-OG 3.07Å; D66-S69 PolarHBondContact O-N 3.27Å; D66-S69 PolarHBondContact O-OG 2.69Å |
| 70 | R | 83 | Confident | 79.9 | Confident | 179 Ų | 179 | 116.9 Ų | 116.9 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -96.2 | -10.5 | -179.1 | -67.6 | 174.8 | -168.4 | -87.1 | -4.7 | 113.8 | D66 A67 L68 S72 | D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.48Å; D66-R70 PolarHBondContact O-N 2.86Å; D66-R70 VanDerWaalsContact O-N 3.11Å; D66-R70 IonicContact OD1-CZ 3.27Å; D66-R70 VanDerWaalsContact OD1-CZ 3.27Å; D66-R70 IonicContact OD1-NE 2.87Å; D66-R70 PolarHBondContact OD1-NE 3.39Å; D66-R70 IonicContact OD1-NH2 2.79Å; D66-R70 PolarHBondContact OD1-NH2 2.91Å; D66-R70 WeakPolarHBondContact OD2-CD 3.41Å; D66-R70 IonicContact OD2-CZ 3.69Å; D66-R70 IonicContact OD2-NE 2.84Å; D66-R70 PolarHBondContact OD2-NE 3.22Å; D66-R70 IonicContact OD2-NH2 3.75Å; A67-R70 PolarHBondContact O-N 2.8Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 3.28Å; R70-S72 PolarHBondContact O-N 3.47Å; R70-S72 VanDerWaalsContact O-N 3.11Å |
| 71 | F | 80.9 | Confident | 79.8 | Confident | 153 Ų | 153 | 115.5 Ų | 115.5 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | trans | -57.8 | 122.9 | -174.6 | -158.4 | -101.4 | 0 | 0 | 0 | 109.3 | A67 R73 | A67-F71 PolarHBondContact O-N 3.37Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.02Å | ||
| 72 | S | 76.1 | Confident | 79.5 | Confident | 88 Ų | 88 | 116.6 Ų | 116.6 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | trans | -62.8 | 100.5 | 176.5 | 55.9 | 0 | 0 | 0 | 0 | 107 | R70 N74 | R70-S72 PolarHBondContact O-N 3.47Å; R70-S72 VanDerWaalsContact O-N 3.11Å; S72-N74 PolarHBondContact O-N 3.18Å; S72-N74 VanDerWaalsContact O-N 3.13Å | ||
| 73 | R | 70.5 | Confident | 79 | Confident | 222 Ų | 222 | 118.1 Ų | 118.1 | 84% | 0.838 | 64% | 0.643 | S | S | * | * | trans | -61 | 123.4 | 173.6 | -159.3 | 170.9 | 158.8 | 171.3 | -6.7 | 105.2 | F71 A75 | F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.02Å; R73-A75 PolarHBondContact O-N 3.23Å | ||
| 74 | N | 70.9 | Confident | 78.5 | Confident | 153 Ų | 153 | 121.3 Ų | 121.3 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -66.1 | 67.5 | 166.7 | -65.1 | -18.8 | 0 | 0 | 0 | 107.1 | S72 S76 | S72-N74 PolarHBondContact O-N 3.18Å; S72-N74 VanDerWaalsContact O-N 3.13Å; N74-S76 PolarHBondContact O-N 3.35Å | ||
| 75 | A | 63.5 | Low | 78.1 | Confident | 60 Ų | 60 | 124.4 Ų | 124.4 | 50% | 0.496 | 67% | 0.667 | S | S | . | * | trans | -80.1 | 96 | -178.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | R73 Q77 | R73-A75 PolarHBondContact O-N 3.23Å; A75-Q77 PolarHBondContact O-N 2.8Å | ||
| 76 | S | 70.3 | Confident | 77.6 | Confident | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | trans | -49.5 | 101.1 | 139.5 | -53.6 | 0 | 0 | 0 | 0 | 103.9 | N74 V78 | N74-S76 PolarHBondContact O-N 3.35Å; S76-V78 PolarHBondContact O-N 2.81Å | ||
| 77 | Q | 65.3 | Low | 77 | Confident | 184 Ų | 184 | 129.1 Ų | 129.1 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -69.5 | 84 | -167.5 | -171 | 173.6 | -2 | 0 | 0 | 107 | A75 Y79 | A75-Q77 PolarHBondContact O-N 2.8Å; Q77-Y79 PolarHBondContact O-N 3.41Å | ||
| 78 | V | 76.6 | Confident | 76.4 | Confident | 114 Ų | 114 | 132.8 Ų | 132.8 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | trans | -67.3 | 108.3 | 171.7 | -179.7 | 0 | 0 | 0 | 0 | 104.4 | S76 I80 | S76-V78 PolarHBondContact O-N 2.81Å; V78-I80 HydrophobicContact CG1-CG1 4.47Å; V78-I80 PolarHBondContact O-N 3.44Å | ||
| 79 | Y | 81 | Confident | 75.9 | Confident | 188 Ų | 188 | 131.2 Ų | 131.2 | 74% | 0.737 | 69% | 0.686 | S | S | * | * | trans | -61.1 | 112.4 | 171.4 | 173.1 | -103 | 0 | 0 | 0 | 107.7 | Q77 P81 | Q77-Y79 PolarHBondContact O-N 3.41Å; Y79-P81 HydrophobicContact CE1-CB 3.75Å; Y79-P81 HydrophobicContact CE1-CG 4.36Å | ||
| 80 | I | 79.2 | Confident | 75.6 | Confident | 137 Ų | 137 | 136.1 Ų | 136.1 | 70% | 0.703 | 70% | 0.698 | S | S | * | * | trans | -99.9 | 108.1 | 171.5 | -58.6 | 170.1 | 0 | 0 | 0 | 105 | V78 | V78-I80 HydrophobicContact CG1-CG1 4.47Å; V78-I80 PolarHBondContact O-N 3.44Å | ||
| 81 | P | 83.8 | Confident | 75.7 | Confident | 76 Ų | 76 | 134.3 Ų | 134.3 | 49% | 0.494 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 147.9 | 175.9 | 25.3 | -32.5 | 0 | 0 | 0 | 109.5 | Y79 | Y79-P81 HydrophobicContact CE1-CB 3.75Å; Y79-P81 HydrophobicContact CE1-CG 4.36Å |
| 82 | N | 79.6 | Confident | 75.6 | Confident | 149 Ų | 149 | 131.1 Ų | 131.1 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.5 | 169.6 | -73.8 | -23.1 | 0 | 0 | 0 | 108.3 | ||
| 83 | P | 75.7 | Confident | 76.1 | Confident | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 141.2 | 177 | 24.4 | -32.1 | 0 | 0 | 0 | 108.7 | ||
| 84 | P | 77.8 | Confident | 76.8 | Confident | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 144.3 | 171.8 | -22.1 | 32 | 0 | 0 | 0 | 110.2 | V86 | P84-V86 WeakPolarHBondContact O-CG2 3.47Å; P84-V86 PolarHBondContact O-N 2.99Å |
| 85 | E | 78.9 | Confident | 77.3 | Confident | 175 Ų | 175 | 124.1 Ų | 124.1 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -62.5 | 111.7 | 166.6 | -72.3 | -174 | 171.7 | 0 | 0 | 108.1 | L87 | E85-L87 PolarHBondContact O-N 3.27Š| ||
| 86 | V | 73.5 | Confident | 78.3 | Confident | 103 Ų | 103 | 126.3 Ų | 126.3 | 62% | 0.624 | 69% | 0.687 | S | S | * | * | trans | -86 | 96.7 | 177 | -165.5 | 0 | 0 | 0 | 0 | 107.2 | P84 I89 | P84-V86 WeakPolarHBondContact O-CG2 3.47Å; P84-V86 PolarHBondContact O-N 2.99Å; V86-I89 HydrophobicContact CB-CD1 3.95Å; V86-I89 HydrophobicContact CB-CG1 4.13Å; V86-I89 HydrophobicContact CG1-CD1 3.56Å; V86-I89 HydrophobicContact CG1-CG1 3.3Å | ||
| 87 | L | 72.9 | Confident | 79 | Confident | 120 Ų | 120 | 125.4 Ų | 125.4 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | trans | -86 | 144.3 | 174 | -58.7 | 174 | 0 | 0 | 0 | 109.4 | E85 I89 | E85-L87 PolarHBondContact O-N 3.27Å; L87-I89 PolarHBondContact O-N 3.06Å | ||
| 88 | F | 74.5 | Confident | 80.3 | Confident | 132 Ų | 132 | 120 Ų | 120 | 58% | 0.579 | 65% | 0.654 | S | S | * | * | trans | 63.2 | 34.8 | 169.9 | -50.6 | -72.1 | 0 | 0 | 0 | 117 | E90 E91 | F88-E90 PolarHBondContact O-N 3.49Å; F88-E91 HydrophobicContact CB-CB 4.15Å; F88-E91 HydrophobicContact CB-CG 4.24Å; F88-E91 HydrophobicContact CD1-CG 4.17Å; F88-E91 VanDerWaalsContact CD1-OE1 3.25Å; F88-E91 WeakPolarHBondContact CD1-OE1 3.31Å; F88-E91 VanDerWaalsContact CD1-OE2 3.29Å; F88-E91 WeakPolarHBondContact CD1-OE2 3.24Å; F88-E91 PolarHBondContact O-N 2.89Å; F88-E91 VanDerWaalsContact O-N 3.08Å | ||
| 89 | I | 74.1 | Confident | 81 | Confident | 102 Ų | 102 | 120.2 Ų | 120.2 | 52% | 0.523 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -54.8 | -36.4 | 171.8 | -61.2 | 176.3 | 0 | 0 | 0 | 111.3 | V86 L87 E91 L92 | V86-I89 HydrophobicContact CB-CD1 3.95Å; V86-I89 HydrophobicContact CB-CG1 4.13Å; V86-I89 HydrophobicContact CG1-CD1 3.56Å; V86-I89 HydrophobicContact CG1-CG1 3.3Å; L87-I89 PolarHBondContact O-N 3.06Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 2.89Å; I89-L92 PolarHBondContact O-N 3.4Å |
| 90 | E | 79.5 | Confident | 81.6 | Confident | 196 Ų | 196 | 116.9 Ų | 116.9 | 92% | 0.916 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -71.6 | -20.7 | -178.7 | -61.3 | -176.3 | 175.3 | 0 | 0 | 113.5 | F88 | F88-E90 PolarHBondContact O-N 3.49Š|
| 91 | E | 84.1 | Confident | 82.3 | Confident | 142 Ų | 142 | 113.6 Ų | 113.6 | 66% | 0.664 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -92.6 | -2.3 | -178.9 | -61.3 | -179.4 | 179.8 | 0 | 0 | 113 | F88 I89 | F88-E91 HydrophobicContact CB-CB 4.15Å; F88-E91 HydrophobicContact CB-CG 4.24Å; F88-E91 HydrophobicContact CD1-CG 4.17Å; F88-E91 VanDerWaalsContact CD1-OE1 3.25Å; F88-E91 WeakPolarHBondContact CD1-OE1 3.31Å; F88-E91 VanDerWaalsContact CD1-OE2 3.29Å; F88-E91 WeakPolarHBondContact CD1-OE2 3.24Å; F88-E91 PolarHBondContact O-N 2.89Å; F88-E91 VanDerWaalsContact O-N 3.08Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 2.89Å |
| 92 | L | 80.3 | Confident | 82.7 | Confident | 85 Ų | 85 | 113.1 Ų | 113.1 | 45% | 0.445 | 63% | 0.629 | S | S | . | * | trans | -64.6 | 132.1 | 175.6 | -65 | 176.5 | 0 | 0 | 0 | 109.7 | I89 S94 P96 | I89-L92 PolarHBondContact O-N 3.4Å; L92-S94 PolarHBondContact O-N 2.84Å; L92-S94 VanDerWaalsContact O-N 3.14Å; L92-P96 HydrophobicContact CD1-CB 4.19Å; L92-P96 HydrophobicContact CD1-CG 3.98Å | ||
| 93 | P | 86.1 | Confident | 83.3 | Confident | 135 Ų | 135 | 108.2 Ų | 108.2 | 88% | 0.877 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -66.4 | -20.4 | -175.4 | 26.6 | -35.3 | 0 | 0 | 0 | 113.1 | ||
| 94 | S | 84.2 | Confident | 84 | Confident | 80 Ų | 80 | 107.7 Ų | 107.7 | 56% | 0.559 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -149.5 | 156.7 | 173.8 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | L92 | L92-S94 PolarHBondContact O-N 2.84Å; L92-S94 VanDerWaalsContact O-N 3.14Å |
| 95 | P | 83.2 | Confident | 84.7 | Confident | 101 Ų | 101 | 107.5 Ų | 107.5 | 66% | 0.656 | 59% | 0.59 | S | S | * | * | trans | -56.3 | 132 | 177.1 | -24.3 | 34.1 | 0 | 0 | 0 | 110.9 | L97 | P95-L97 PolarHBondContact O-N 3.2Š| ||
| 96 | P | 82.8 | Confident | 85.3 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 69% | 0.688 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -67.5 | -10.8 | -176.5 | 27.7 | -35.6 | 0 | 0 | 0 | 113.4 | L92 | L92-P96 HydrophobicContact CD1-CB 4.19Å; L92-P96 HydrophobicContact CD1-CG 3.98Å |
| 97 | L | 86.7 | Confident | 86.1 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -145 | 124 | -177 | -169.2 | 67.8 | 0 | 0 | 0 | 109.7 | P95 D101 V102 L105 | P95-L97 PolarHBondContact O-N 3.2Å; L97-D101 HydrophobicContact CD1-CB 3.6Å; L97-D101 HydrophobicContact CG-CB 4.38Å; L97-V102 HydrophobicContact CD2-CG2 3.48Å; L97-V102 VanDerWaalsContact CD2-CG2 3.48Å; L97-V102 HydrophobicContact CG-CG2 3.74Å; L97-L105 HydrophobicContact CD1-CD1 4.29Å |
| 98 | T | 90.9 | Very high | 86.9 | Confident | 72 Ų | 72 | 103.9 Ų | 103.9 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | trans | -89.9 | 155.6 | 177.5 | -48.1 | 0 | 0 | 0 | 0 | 110.4 | N100 D101 V102 | T98-N100 HydrophobicContact CG2-CB 4.38Å; T98-N100 PolarHBondContact O-N 3.46Å; T98-D101 WeakPolarHBondContact CA-OD2 3.31Å; T98-D101 WeakPolarHBondContact CB-OD2 3.49Å; T98-D101 PolarHBondContact N-OD2 3.27Å; T98-D101 WeakPolarHBondContact O-CA 3.45Å; T98-D101 WeakPolarHBondContact O-CB 3.39Å; T98-D101 PolarHBondContact O-N 3.4Å; T98-D101 PolarHBondContact OG1-OD2 3.2Å; T98-V102 PolarHBondContact O-N 3.12Å | ||
| 99 | V | 92.7 | Very high | 87.8 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 72% | 0.715 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -53.8 | -38.3 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | D101 V102 A103 | V99-D101 VanDerWaalsContact C-N 3.32Å; V99-D101 PolarHBondContact O-N 2.81Å; V99-V102 PolarHBondContact O-N 3.08Å; V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 2.9Å |
| 100 | N | 94.1 | Very high | 88.6 | Confident | 117 Ų | 117 | 100.2 Ų | 100.2 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -38.8 | 176.3 | -66.2 | -23.9 | 0 | 0 | 0 | 112 | T98 A103 Q104 | T98-N100 HydrophobicContact CG2-CB 4.38Å; T98-N100 PolarHBondContact O-N 3.46Å; N100-A103 PolarHBondContact O-N 3.4Å; N100-Q104 VanDerWaalsContact O-CG 3.28Å; N100-Q104 WeakPolarHBondContact O-CG 3.47Å; N100-Q104 PolarHBondContact O-N 2.81Å |
| 101 | D | 93.5 | Very high | 89 | Confident | 69 Ų | 69 | 96.3 Ų | 96.3 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | 178.5 | -53.7 | -37.7 | 0 | 0 | 0 | 110.2 | L97 T98 V99 A103 Q104 L105 | L97-D101 HydrophobicContact CD1-CB 3.6Å; L97-D101 HydrophobicContact CG-CB 4.38Å; T98-D101 WeakPolarHBondContact CA-OD2 3.31Å; T98-D101 WeakPolarHBondContact CB-OD2 3.49Å; T98-D101 PolarHBondContact N-OD2 3.27Å; T98-D101 WeakPolarHBondContact O-CA 3.45Å; T98-D101 WeakPolarHBondContact O-CB 3.39Å; T98-D101 PolarHBondContact O-N 3.4Å; T98-D101 PolarHBondContact OG1-OD2 3.2Å; V99-D101 VanDerWaalsContact C-N 3.32Å; V99-D101 PolarHBondContact O-N 2.81Å; D101-A103 VanDerWaalsContact C-N 3.29Å; D101-A103 PolarHBondContact O-N 3.41Å; D101-Q104 PolarHBondContact O-N 3.38Å; D101-L105 WeakPolarHBondContact O-CB 3.35Å; D101-L105 VanDerWaalsContact O-CG 3.28Å; D101-L105 WeakPolarHBondContact O-CG 3.38Å; D101-L105 PolarHBondContact O-N 3.39Å |
| 102 | V | 91.1 | Very high | 89.3 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 39% | 0.394 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 173.4 | -180 | 0 | 0 | 0 | 0 | 110.2 | L97 T98 V99 Q104 L105 T106 | L97-V102 HydrophobicContact CD2-CG2 3.48Å; L97-V102 VanDerWaalsContact CD2-CG2 3.48Å; L97-V102 HydrophobicContact CG-CG2 3.74Å; T98-V102 PolarHBondContact O-N 3.12Å; V99-V102 PolarHBondContact O-N 3.08Å; V102-Q104 PolarHBondContact O-N 2.68Å; V102-L105 PolarHBondContact O-N 3.03Å; V102-T106 VanDerWaalsContact O-CB 3.26Å; V102-T106 WeakPolarHBondContact O-CB 3.45Å; V102-T106 PolarHBondContact O-N 3.33Å; V102-T106 PolarHBondContact O-OG1 3.49Å |
| 103 | A | 91.9 | Very high | 89.6 | Confident | 47 Ų | 47 | 90.2 Ų | 90.2 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V99 N100 D101 T106 M107 | V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 2.9Å; N100-A103 PolarHBondContact O-N 3.4Å; D101-A103 VanDerWaalsContact C-N 3.29Å; D101-A103 PolarHBondContact O-N 3.41Å; A103-T106 PolarHBondContact O-N 3.5Å; A103-M107 WeakPolarHBondContact O-CB 3.23Å; A103-M107 VanDerWaalsContact O-CG 3.31Å; A103-M107 WeakPolarHBondContact O-CG 3.15Å; A103-M107 PolarHBondContact O-N 3.28Å |
| 104 | Q | 92 | Very high | 89.8 | Confident | 97 Ų | 97 | 89.8 Ų | 89.8 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.3 | -71 | -65.6 | -28.9 | 0 | 0 | 112.9 | N100 D101 V102 R108 | N100-Q104 VanDerWaalsContact O-CG 3.28Å; N100-Q104 WeakPolarHBondContact O-CG 3.47Å; N100-Q104 PolarHBondContact O-N 2.81Å; D101-Q104 PolarHBondContact O-N 3.38Å; V102-Q104 PolarHBondContact O-N 2.68Å; Q104-R108 WeakPolarHBondContact O-CG 3.29Å; Q104-R108 PolarHBondContact O-N 3.06Å |
| 105 | L | 92.7 | Very high | 90.1 | Very high | 106 Ų | 106 | 88.9 Ų | 88.9 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.1 | -43.3 | 175.9 | -69.6 | 174.2 | 0 | 0 | 0 | 111.2 | L97 D101 V102 M107 R108 D109 | L97-L105 HydrophobicContact CD1-CD1 4.29Å; D101-L105 WeakPolarHBondContact O-CB 3.35Å; D101-L105 VanDerWaalsContact O-CG 3.28Å; D101-L105 WeakPolarHBondContact O-CG 3.38Å; D101-L105 PolarHBondContact O-N 3.39Å; V102-L105 PolarHBondContact O-N 3.03Å; L105-M107 VanDerWaalsContact C-N 3.29Å; L105-M107 PolarHBondContact O-N 2.93Å; L105-R108 PolarHBondContact O-N 3Å; L105-R108 VanDerWaalsContact O-N 3.09Å; L105-D109 PolarHBondContact O-N 3.23Å |
| 106 | T | 91.4 | Very high | 90.4 | Very high | 28 Ų | 28 | 86.5 Ų | 86.5 | 17% | 0.172 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.8 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | V102 A103 R108 D109 L112 G113 L116 | V102-T106 VanDerWaalsContact O-CB 3.26Å; V102-T106 WeakPolarHBondContact O-CB 3.45Å; V102-T106 PolarHBondContact O-N 3.33Å; V102-T106 PolarHBondContact O-OG1 3.49Å; A103-T106 PolarHBondContact O-N 3.5Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.87Å; T106-D109 PolarHBondContact O-N 3.18Å; T106-L112 HydrophobicContact CG2-CB 3.53Å; T106-L112 HydrophobicContact CG2-CD1 4.24Å; T106-G113 PolarHBondContact O-N 2.94Å; T106-L116 HydrophobicContact CG2-CD1 3.47Å; T106-L116 VanDerWaalsContact CG2-CD1 3.47Å; T106-L116 HydrophobicContact CG2-CD2 4.22Å; T106-L116 HydrophobicContact CG2-CG 3.76Å |
| 107 | M | 89.7 | Confident | 90.7 | Very high | 111 Ų | 111 | 85.3 Ų | 85.3 | 55% | 0.547 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66 | -31.1 | 174.7 | -78.2 | -177.9 | 62.3 | 0 | 0 | 113.5 | A103 L105 L116 | A103-M107 WeakPolarHBondContact O-CB 3.23Å; A103-M107 VanDerWaalsContact O-CG 3.31Å; A103-M107 WeakPolarHBondContact O-CG 3.15Å; A103-M107 PolarHBondContact O-N 3.28Å; L105-M107 VanDerWaalsContact C-N 3.29Å; L105-M107 PolarHBondContact O-N 2.93Å; M107-L116 HydrophobicContact CG-CD1 4.2Å |
| 108 | R | 90.3 | Very high | 90.9 | Very high | 182 Ų | 182 | 86.4 Ų | 86.4 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -83.2 | -20.4 | 177.4 | -71.2 | -175.4 | 174.8 | 97 | -3 | 112.9 | Q104 L105 T106 P110 | Q104-R108 WeakPolarHBondContact O-CG 3.29Å; Q104-R108 PolarHBondContact O-N 3.06Å; L105-R108 PolarHBondContact O-N 3Å; L105-R108 VanDerWaalsContact O-N 3.09Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.87Å; R108-P110 WeakPolarHBondContact O-CD 3.19Å |
| 109 | D | 93.1 | Very high | 90.8 | Very high | 59 Ų | 59 | 86.8 Ų | 86.8 | 32% | 0.316 | 45% | 0.447 | S | S | . | . | trans | -73.1 | 123.6 | -178.4 | -170.3 | -60 | 0 | 0 | 0 | 111.7 | L105 T106 Q111 L112 G113 | L105-D109 PolarHBondContact O-N 3.23Å; T106-D109 PolarHBondContact O-N 3.18Å; D109-Q111 PolarHBondContact O-N 3.06Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.49Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.21Å; D109-Q111 PolarHBondContact OD1-N 3.18Å; D109-L112 HydrophobicContact CB-CB 4.02Å; D109-L112 HydrophobicContact CB-CD1 4.47Å; D109-L112 HydrophobicContact CB-CG 4.35Å; D109-L112 PolarHBondContact OD1-N 3.29Å; D109-G113 WeakPolarHBondContact O-CA 3.48Å; D109-G113 PolarHBondContact O-N 2.92Å | ||
| 110 | P | 90.5 | Very high | 90.7 | Very high | 98 Ų | 98 | 88.4 Ų | 88.4 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22 | 179.7 | -23.5 | 34 | 0 | 0 | 0 | 115.5 | R108 R114 | R108-P110 WeakPolarHBondContact O-CD 3.19Å; P110-R114 PolarHBondContact O-NE 3.19Å |
| 111 | Q | 87.9 | Confident | 90.5 | Very high | 114 Ų | 114 | 86.9 Ų | 86.9 | 53% | 0.533 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -54 | 178.7 | -53 | -58.5 | -38.4 | 0 | 0 | 110.3 | D109 G113 R114 V115 | D109-Q111 PolarHBondContact O-N 3.06Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.49Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.21Å; D109-Q111 PolarHBondContact OD1-N 3.18Å; Q111-G113 VanDerWaalsContact C-N 3.31Å; Q111-G113 PolarHBondContact O-N 3.13Å; Q111-R114 WeakPolarHBondContact O-CB 3.43Å; Q111-R114 PolarHBondContact O-N 3.48Å; Q111-R114 VanDerWaalsContact O-N 3.13Å; Q111-V115 PolarHBondContact O-N 3.48Å |
| 112 | L | 90.5 | Very high | 90.4 | Very high | 85 Ų | 85 | 88.4 Ų | 88.4 | 45% | 0.445 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70 | -29.8 | -177.1 | -58 | 176.9 | 0 | 0 | 0 | 112.4 | T106 D109 R114 V115 L116 | T106-L112 HydrophobicContact CG2-CB 3.53Å; T106-L112 HydrophobicContact CG2-CD1 4.24Å; D109-L112 HydrophobicContact CB-CB 4.02Å; D109-L112 HydrophobicContact CB-CD1 4.47Å; D109-L112 HydrophobicContact CB-CG 4.35Å; D109-L112 PolarHBondContact OD1-N 3.29Å; L112-R114 PolarHBondContact O-N 3.07Å; L112-V115 WeakPolarHBondContact O-CB 3.39Å; L112-V115 PolarHBondContact O-N 3.01Å; L112-V115 VanDerWaalsContact O-N 3.09Å; L112-L116 PolarHBondContact O-N 3.21Å |
| 113 | G | 87.5 | Confident | 90.5 | Very high | 15 Ų | 15 | 90.1 Ų | 90.1 | 16% | 0.155 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.1 | -31.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | T106 D109 Q111 N117 | T106-G113 PolarHBondContact O-N 2.94Å; D109-G113 WeakPolarHBondContact O-CA 3.48Å; D109-G113 PolarHBondContact O-N 2.92Å; Q111-G113 VanDerWaalsContact C-N 3.31Å; Q111-G113 PolarHBondContact O-N 3.13Å; G113-N117 PolarHBondContact O-N 2.72Å; G113-N117 PolarHBondContact O-ND2 3.09Å |
| 114 | R | 90.2 | Very high | 90.4 | Very high | 125 Ų | 125 | 93.4 Ų | 93.4 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 173.1 | -71.6 | -175.8 | -105.3 | 174.5 | -9.5 | 111.7 | P110 Q111 L112 L116 N117 W118 | P110-R114 PolarHBondContact O-NE 3.19Å; Q111-R114 WeakPolarHBondContact O-CB 3.43Å; Q111-R114 PolarHBondContact O-N 3.48Å; Q111-R114 VanDerWaalsContact O-N 3.13Å; L112-R114 PolarHBondContact O-N 3.07Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-N117 WeakPolarHBondContact O-CB 3.42Å; R114-N117 PolarHBondContact O-N 3.45Å; R114-W118 PolarHBondContact O-N 3.27Å |
| 115 | V | 89.7 | Confident | 90.2 | Very high | 61 Ų | 61 | 93.4 Ų | 93.4 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | Q111 L112 N117 W118 D119 | Q111-V115 PolarHBondContact O-N 3.48Å; L112-V115 WeakPolarHBondContact O-CB 3.39Å; L112-V115 PolarHBondContact O-N 3.01Å; L112-V115 VanDerWaalsContact O-N 3.09Å; V115-N117 VanDerWaalsContact C-N 3.26Å; V115-N117 PolarHBondContact O-N 3.24Å; V115-W118 HydrophobicContact CB-CE3 4.43Å; V115-W118 HydrophobicContact CG2-CE3 4.15Å; V115-W118 HydrophobicContact CG2-CZ3 4.08Å; V115-W118 WeakPolarHBondContact O-CB 3.39Å; V115-W118 PolarHBondContact O-N 3.41Å; V115-D119 PolarHBondContact O-N 2.97Å |
| 116 | L | 89.9 | Confident | 90 | Very high | 51 Ų | 51 | 92.7 Ų | 92.7 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.5 | -38.2 | 174.5 | -73 | 179.5 | 0 | 0 | 0 | 113 | T106 M107 L112 R114 D119 R120 | T106-L116 HydrophobicContact CG2-CD1 3.47Å; T106-L116 VanDerWaalsContact CG2-CD1 3.47Å; T106-L116 HydrophobicContact CG2-CD2 4.22Å; T106-L116 HydrophobicContact CG2-CG 3.76Å; M107-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 PolarHBondContact O-N 3.21Å; R114-L116 VanDerWaalsContact C-N 3.35Å; L116-D119 PolarHBondContact O-N 2.9Å; L116-R120 VanDerWaalsContact O-CG 3.31Å; L116-R120 WeakPolarHBondContact O-CG 3.46Å; L116-R120 PolarHBondContact O-N 3.33Å |
| 117 | N | 89.2 | Confident | 89.8 | Confident | 81 Ų | 81 | 97.5 Ų | 97.5 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 176.8 | -70.2 | -30.8 | 0 | 0 | 0 | 111.8 | G113 R114 V115 R120 Q121 | G113-N117 PolarHBondContact O-N 2.72Å; G113-N117 PolarHBondContact O-ND2 3.09Å; R114-N117 WeakPolarHBondContact O-CB 3.42Å; R114-N117 PolarHBondContact O-N 3.45Å; V115-N117 VanDerWaalsContact C-N 3.26Å; V115-N117 PolarHBondContact O-N 3.24Å; N117-R120 PolarHBondContact O-N 3.48Å; N117-Q121 WeakPolarHBondContact O-CB 3.37Å; N117-Q121 VanDerWaalsContact O-CG 3.22Å; N117-Q121 WeakPolarHBondContact O-CG 3.39Å; N117-Q121 PolarHBondContact O-N 3.36Å |
| 118 | W | 90.3 | Very high | 89.5 | Confident | 113 Ų | 113 | 97.2 Ų | 97.2 | 43% | 0.428 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 173.6 | -65.7 | -34.1 | 0 | 0 | 0 | 112.1 | R114 V115 R120 Q121 L122 | R114-W118 PolarHBondContact O-N 3.27Å; V115-W118 HydrophobicContact CB-CE3 4.43Å; V115-W118 HydrophobicContact CG2-CE3 4.15Å; V115-W118 HydrophobicContact CG2-CZ3 4.08Å; V115-W118 WeakPolarHBondContact O-CB 3.39Å; V115-W118 PolarHBondContact O-N 3.41Å; W118-R120 PolarHBondContact O-N 2.93Å; W118-Q121 PolarHBondContact O-N 3.04Å; W118-L122 WeakPolarHBondContact O-CB 3.42Å; W118-L122 WeakPolarHBondContact O-CG 3.46Å; W118-L122 PolarHBondContact O-N 3.38Å |
| 119 | D | 89.3 | Confident | 89.1 | Confident | 81 Ų | 81 | 91.1 Ų | 91.1 | 43% | 0.433 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.4 | -72.7 | -13.7 | 0 | 0 | 0 | 111.6 | V115 L116 Q121 L122 I123 | V115-D119 PolarHBondContact O-N 2.97Å; L116-D119 PolarHBondContact O-N 2.9Å; D119-Q121 PolarHBondContact O-N 3.09Å; D119-L122 PolarHBondContact O-N 2.96Å; D119-I123 WeakPolarHBondContact O-CG1 3.28Å; D119-I123 PolarHBondContact O-N 3.23Å |
| 120 | R | 90.5 | Very high | 88.6 | Confident | 151 Ų | 151 | 90.6 Ų | 90.6 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 175.2 | -74 | 174.2 | 178.2 | 177.4 | 0.2 | 112.3 | L116 N117 W118 I123 Q124 | L116-R120 VanDerWaalsContact O-CG 3.31Å; L116-R120 WeakPolarHBondContact O-CG 3.46Å; L116-R120 PolarHBondContact O-N 3.33Å; N117-R120 PolarHBondContact O-N 3.48Å; W118-R120 PolarHBondContact O-N 2.93Å; R120-I123 PolarHBondContact O-N 2.97Å; R120-Q124 PolarHBondContact O-N 3.47Å |
| 121 | Q | 90.1 | Very high | 88 | Confident | 85 Ų | 85 | 88.5 Ų | 88.5 | 40% | 0.397 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.9 | -75.8 | 169.2 | 21.5 | 0 | 0 | 111 | N117 W118 D119 I123 Q124 D125 | N117-Q121 WeakPolarHBondContact O-CB 3.37Å; N117-Q121 VanDerWaalsContact O-CG 3.22Å; N117-Q121 WeakPolarHBondContact O-CG 3.39Å; N117-Q121 PolarHBondContact O-N 3.36Å; W118-Q121 PolarHBondContact O-N 3.04Å; D119-Q121 PolarHBondContact O-N 3.09Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 2.82Å; Q121-Q124 PolarHBondContact O-N 3.33Å; Q121-D125 WeakPolarHBondContact O-CB 3.22Å; Q121-D125 PolarHBondContact O-N 3.33Å |
| 122 | L | 91.5 | Very high | 87.6 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 53% | 0.534 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 176.6 | -80 | 166.2 | 0 | 0 | 0 | 112.2 | W118 D119 D125 T126 | W118-L122 WeakPolarHBondContact O-CB 3.42Å; W118-L122 WeakPolarHBondContact O-CG 3.46Å; W118-L122 PolarHBondContact O-N 3.38Å; D119-L122 PolarHBondContact O-N 2.96Å; L122-D125 PolarHBondContact O-N 3.42Å; L122-T126 VanDerWaalsContact O-CB 3.3Å; L122-T126 WeakPolarHBondContact O-CB 3.48Å; L122-T126 PolarHBondContact O-N 3.39Å; L122-T126 PolarHBondContact O-OG1 3.45Å |
| 123 | I | 91.9 | Very high | 87.1 | Confident | 100 Ų | 100 | 88 Ų | 88 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 177.3 | -67.6 | 165.1 | 0 | 0 | 0 | 110.4 | D119 R120 Q121 T126 Q127 | D119-I123 WeakPolarHBondContact O-CG1 3.28Å; D119-I123 PolarHBondContact O-N 3.23Å; R120-I123 PolarHBondContact O-N 2.97Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 2.82Å; I123-T126 PolarHBondContact O-N 3.34Å; I123-Q127 WeakPolarHBondContact O-CG 3.39Å; I123-Q127 PolarHBondContact O-N 3.39Å |
| 124 | Q | 89.6 | Confident | 86.6 | Confident | 117 Ų | 117 | 94.4 Ų | 94.4 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 178.9 | -173.1 | 172.3 | 28.6 | 0 | 0 | 111.9 | R120 Q121 T126 Q127 L128 | R120-Q124 PolarHBondContact O-N 3.47Å; Q121-Q124 PolarHBondContact O-N 3.33Å; Q124-T126 VanDerWaalsContact C-N 3.29Å; Q124-T126 PolarHBondContact O-N 2.93Å; Q124-Q127 PolarHBondContact O-N 2.86Å; Q124-L128 HydrophobicContact CG-CD1 4.19Å; Q124-L128 HydrophobicContact CG-CG 4.45Å; Q124-L128 WeakPolarHBondContact O-CB 3.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.33Å; Q124-L128 PolarHBondContact O-N 3.03Å |
| 125 | D | 87.9 | Confident | 86.2 | Confident | 96 Ų | 96 | 90.4 Ų | 90.4 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 177.6 | -74.8 | -13.8 | 0 | 0 | 0 | 111.3 | Q121 L122 L128 A129 | Q121-D125 WeakPolarHBondContact O-CB 3.22Å; Q121-D125 PolarHBondContact O-N 3.33Å; L122-D125 PolarHBondContact O-N 3.42Å; D125-L128 PolarHBondContact O-N 2.62Å; D125-A129 WeakPolarHBondContact O-CB 3.42Å; D125-A129 PolarHBondContact O-N 3.47Å |
| 126 | T | 89.1 | Confident | 85.8 | Confident | 92 Ų | 92 | 93.1 Ų | 93.1 | 56% | 0.564 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.6 | -42.4 | 175.7 | -56 | 0 | 0 | 0 | 0 | 111.2 | L122 I123 Q124 A129 A130 | L122-T126 VanDerWaalsContact O-CB 3.3Å; L122-T126 WeakPolarHBondContact O-CB 3.48Å; L122-T126 PolarHBondContact O-N 3.39Å; L122-T126 PolarHBondContact O-OG1 3.45Å; I123-T126 PolarHBondContact O-N 3.34Å; Q124-T126 VanDerWaalsContact C-N 3.29Å; Q124-T126 PolarHBondContact O-N 2.93Å; T126-A129 PolarHBondContact O-N 2.95Å; T126-A130 WeakPolarHBondContact O-CB 3.4Å; T126-A130 PolarHBondContact O-N 3.21Å |
| 127 | Q | 86.6 | Confident | 85.7 | Confident | 128 Ų | 128 | 91 Ų | 91 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 175.8 | -71.7 | 175.6 | 18.9 | 0 | 0 | 112 | I123 Q124 A129 A130 S131 | I123-Q127 WeakPolarHBondContact O-CG 3.39Å; I123-Q127 PolarHBondContact O-N 3.39Å; Q124-Q127 PolarHBondContact O-N 2.86Å; Q127-A129 VanDerWaalsContact C-N 3.35Å; Q127-A130 PolarHBondContact O-N 3.13Å; Q127-S131 WeakPolarHBondContact O-CB 3.22Å; Q127-S131 PolarHBondContact O-N 3.07Å |
| 128 | L | 84.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 93.6 Ų | 93.6 | 55% | 0.55 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 175.9 | -71.5 | 176.4 | 0 | 0 | 0 | 111.6 | Q124 D125 N132 | Q124-L128 HydrophobicContact CG-CD1 4.19Å; Q124-L128 HydrophobicContact CG-CG 4.45Å; Q124-L128 WeakPolarHBondContact O-CB 3.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.33Å; Q124-L128 PolarHBondContact O-N 3.03Å; D125-L128 PolarHBondContact O-N 2.62Å; L128-N132 VanDerWaalsContact O-CB 3.28Å; L128-N132 WeakPolarHBondContact O-CB 3.33Å; L128-N132 PolarHBondContact O-N 2.85Å |
| 129 | A | 80.9 | Confident | 85.3 | Confident | 55 Ų | 55 | 91.4 Ų | 91.4 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D125 T126 Q127 S131 N132 E133 | D125-A129 WeakPolarHBondContact O-CB 3.42Å; D125-A129 PolarHBondContact O-N 3.47Å; T126-A129 PolarHBondContact O-N 2.95Å; Q127-A129 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 2.69Å; A129-N132 PolarHBondContact O-N 3.15Å; A129-E133 WeakPolarHBondContact O-CG 3.48Å; A129-E133 PolarHBondContact O-N 2.96Å |
| 130 | A | 82.4 | Confident | 85.3 | Confident | 47 Ų | 47 | 94 Ų | 94 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T126 Q127 N132 E133 E134 | T126-A130 WeakPolarHBondContact O-CB 3.4Å; T126-A130 PolarHBondContact O-N 3.21Å; Q127-A130 PolarHBondContact O-N 3.13Å; A130-N132 VanDerWaalsContact C-N 3.33Å; A130-N132 PolarHBondContact O-N 3.11Å; A130-E133 PolarHBondContact O-N 2.95Å; A130-E134 WeakPolarHBondContact O-CG 3.3Å; A130-E134 PolarHBondContact O-N 2.66Å |
| 131 | S | 79.2 | Confident | 85.2 | Confident | 55 Ų | 55 | 89.4 Ų | 89.4 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | Q127 A129 E134 Q135 | Q127-S131 WeakPolarHBondContact O-CB 3.22Å; Q127-S131 PolarHBondContact O-N 3.07Å; A129-S131 PolarHBondContact O-N 2.69Å; S131-E134 PolarHBondContact O-N 2.9Å; S131-Q135 WeakPolarHBondContact O-CB 3.42Å; S131-Q135 PolarHBondContact O-N 3.18Å |
| 132 | N | 79.8 | Confident | 85.2 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 179.4 | -165.9 | -30.4 | 0 | 0 | 0 | 111.6 | L128 A129 A130 Q135 | L128-N132 VanDerWaalsContact O-CB 3.28Å; L128-N132 WeakPolarHBondContact O-CB 3.33Å; L128-N132 PolarHBondContact O-N 2.85Å; A129-N132 PolarHBondContact O-N 3.15Å; A130-N132 VanDerWaalsContact C-N 3.33Å; A130-N132 PolarHBondContact O-N 3.11Å; N132-Q135 PolarHBondContact O-N 2.88Å |
| 133 | E | 78.9 | Confident | 85.2 | Confident | 120 Ų | 120 | 82.5 Ų | 82.5 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.2 | -35.2 | 176.1 | -72 | -62.5 | 152.6 | 0 | 0 | 113.2 | A129 A130 Q135 K136 | A129-E133 WeakPolarHBondContact O-CG 3.48Å; A129-E133 PolarHBondContact O-N 2.96Å; A130-E133 PolarHBondContact O-N 2.95Å; E133-Q135 VanDerWaalsContact C-N 3.25Å; E133-Q135 PolarHBondContact O-N 3.03Å; E133-K136 WeakPolarHBondContact O-CE 3.49Å; E133-K136 IonicContact OE2-NZ 2.8Å; E133-K136 PolarHBondContact OE2-NZ 3.27Å |
| 134 | E | 78 | Confident | 85.2 | Confident | 150 Ų | 150 | 81.2 Ų | 81.2 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -73 | -18.5 | 176.2 | -71.5 | 176.7 | -178.9 | 0 | 0 | 113 | A130 S131 K136 | A130-E134 WeakPolarHBondContact O-CG 3.3Å; A130-E134 PolarHBondContact O-N 2.66Å; S131-E134 PolarHBondContact O-N 2.9Å; E134-K136 PolarHBondContact O-N 3.11Å |
| 135 | Q | 80.1 | Confident | 85.3 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | trans | -86.8 | 46.8 | -175.8 | -148.6 | 154.1 | -18.4 | 0 | 0 | 112.2 | S131 N132 E133 F137 A182 I185 | S131-Q135 WeakPolarHBondContact O-CB 3.42Å; S131-Q135 PolarHBondContact O-N 3.18Å; N132-Q135 PolarHBondContact O-N 2.88Å; E133-Q135 VanDerWaalsContact C-N 3.25Å; E133-Q135 PolarHBondContact O-N 3.03Å; Q135-F137 HydrophobicContact CG-CE2 3.74Å; Q135-F137 HydrophobicContact CG-CZ 3.64Å; Q135-F137 WeakPolarHBondContact O-CE2 3.41Å; Q135-A182 HydrophobicContact CG-CB 4.38Å; Q135-A182 PolarHBondContact NE2-O 3.25Å; Q135-A182 WeakPolarHBondContact O-CB 3.48Å; Q135-I185 PolarHBondContact NE2-O 3.07Å | ||
| 136 | K | 83.1 | Confident | 85.3 | Confident | 119 Ų | 119 | 76.2 Ų | 76.2 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | trans | -96.7 | 132.8 | 170.9 | -68.2 | 171.3 | -171.3 | 162.8 | 0 | 109.1 | E133 E134 | E133-K136 WeakPolarHBondContact O-CE 3.49Å; E133-K136 IonicContact OE2-NZ 2.8Å; E133-K136 PolarHBondContact OE2-NZ 3.27Å; E134-K136 PolarHBondContact O-N 3.11Å | ||
| 137 | F | 86.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 2% | 0.022 | 38% | 0.379 | C | S | . | . | trans | -118.2 | 144.9 | -178.8 | -54.2 | -83.6 | 0 | 0 | 0 | 110.7 | Q135 E141 V143 I159 Y168 A182 I185 K187 | Q135-F137 HydrophobicContact CG-CE2 3.74Å; Q135-F137 HydrophobicContact CG-CZ 3.64Å; Q135-F137 WeakPolarHBondContact O-CE2 3.41Å; F137-E141 WeakPolarHBondContact CA-OE2 3.49Å; F137-V143 HydrophobicContact CD1-CG1 3.68Å; F137-V143 HydrophobicContact CE1-CG1 3.84Å; F137-I159 HydrophobicContact CB-CD1 4.34Å; F137-I159 HydrophobicContact CB-CG1 3.99Å; F137-Y168 HydrophobicContact CB-CD1 4.46Å; F137-Y168 HydrophobicContact CB-CE1 4.18Å; F137-Y168 AromaticContact CD2-CD2 3.96Å; F137-Y168 HydrophobicContact CD2-CD2 3.96Å; F137-Y168 AromaticContact CD2-CE2 3.74Å; F137-Y168 HydrophobicContact CD2-CE2 3.74Å; F137-Y168 PolarHBondContact N-OH 3.31Å; F137-Y168 WeakPolarHBondContact O-CE1 3.43Å; F137-A182 HydrophobicContact CE2-CB 4.22Å; F137-I185 HydrophobicContact CD1-CG2 4.27Å; F137-I185 HydrophobicContact CD2-CB 4.43Å; F137-I185 HydrophobicContact CD2-CG2 4.09Å; F137-I185 HydrophobicContact CE1-CG2 3.81Å; F137-I185 HydrophobicContact CE2-CB 3.7Å; F137-I185 HydrophobicContact CE2-CG2 3.65Å; F137-I185 HydrophobicContact CG-CG2 4.39Å; F137-I185 HydrophobicContact CZ-CB 3.79Å; F137-I185 HydrophobicContact CZ-CG2 3.5Å; F137-I185 WeakPolarHBondContact CZ-O 3.45Å; F137-K187 HydrophobicContact CD1-CG 4.17Å; F137-K187 HydrophobicContact CE1-CG 3.59Å | ||
| 138 | E | 85.9 | Confident | 85 | Confident | 136 Ų | 136 | 73.8 Ų | 73.8 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | trans | -95.3 | 154.5 | 174.1 | -70.1 | -59.9 | 136.8 | 0 | 0 | 110.9 | N140 E141 I159 | E138-N140 PolarHBondContact O-N 3.46Å; E138-E141 PolarHBondContact N-OE2 3.11Å; E138-E141 WeakPolarHBondContact O-CB 3.41Å; E138-E141 PolarHBondContact O-N 3.25Å; E138-I159 WeakPolarHBondContact O-CB 3.45Å; E138-I159 WeakPolarHBondContact O-CG2 3.26Å | ||
| 139 | P | 86.8 | Confident | 84.8 | Confident | 67 Ų | 67 | 76 Ų | 76 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 142 | 168.6 | -23.4 | 34.5 | 0 | 0 | 0 | 111.1 | E141 | P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.95Å |
| 140 | N | 87.9 | Confident | 84.7 | Confident | 135 Ų | 135 | 81 Ų | 81 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 14.6 | -179.9 | -151.4 | 41.8 | 0 | 0 | 0 | 116.1 | E138 I159 | E138-N140 PolarHBondContact O-N 3.46Å; N140-I159 WeakPolarHBondContact CA-O 3.47Å; N140-I159 PolarHBondContact N-O 3.06Å |
| 141 | E | 88.2 | Confident | 84.4 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | trans | -80.1 | 135.8 | 172.4 | -167.6 | 175.7 | 176.9 | 0 | 0 | 111.4 | F137 E138 P139 V143 I158 I159 K187 | F137-E141 WeakPolarHBondContact CA-OE2 3.49Å; E138-E141 PolarHBondContact N-OE2 3.11Å; E138-E141 WeakPolarHBondContact O-CB 3.41Å; E138-E141 PolarHBondContact O-N 3.25Å; P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.95Å; E141-V143 HydrophobicContact CG-CG1 4.33Å; E141-I158 WeakPolarHBondContact O-CA 3.47Å; E141-I159 HydrophobicContact CB-CG1 4.44Å; E141-I159 PolarHBondContact O-N 3.06Å; E141-K187 WeakPolarHBondContact OE1-CE 3.31Å | ||
| 142 | A | 90.1 | Very high | 84.6 | Confident | 43 Ų | 43 | 83.1 Ų | 83.1 | 36% | 0.355 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 123.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R188 | A142-R188 HydrophobicContact CB-CB 4.35Å; A142-R188 VanDerWaalsContact O-CB 3.29Å; A142-R188 WeakPolarHBondContact O-CB 3.44Å; A142-R188 PolarHBondContact O-N 2.8Å; A142-R188 VanDerWaalsContact O-N 3.07Å |
| 143 | V | 92.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 161.8 | -174.1 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | F137 E141 I145 A157 I159 I185 Q186 | F137-V143 HydrophobicContact CD1-CG1 3.68Å; F137-V143 HydrophobicContact CE1-CG1 3.84Å; E141-V143 HydrophobicContact CG-CG1 4.33Å; V143-I145 HydrophobicContact CG2-CG2 4.29Å; V143-A157 PolarHBondContact N-O 3.04Å; V143-A157 PolarHBondContact O-N 3.22Å; V143-I159 HydrophobicContact CG1-CD1 4.27Å; V143-I159 HydrophobicContact CG1-CG1 3.98Å; V143-I159 HydrophobicContact CG2-CD1 3.6Å; V143-I159 HydrophobicContact CG2-CG1 3.83Å; V143-I185 HydrophobicContact CB-CG2 3.58Å; V143-I185 HydrophobicContact CG1-CG2 3.8Å; V143-I185 HydrophobicContact CG2-CG2 3.71Å; V143-Q186 CarbonylContact C-O 3.43Å; V143-Q186 WeakPolarHBondContact CA-O 3.47Å; V143-Q186 VanDerWaalsContact CB-O 3.23Å; V143-Q186 WeakPolarHBondContact CB-O 3.35Å |
| 144 | Y | 92.3 | Very high | 85.4 | Confident | 73 Ų | 73 | 81.6 Ų | 81.6 | 29% | 0.286 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.1 | 162.9 | -68.7 | -76.8 | 0 | 0 | 0 | 109.3 | V155 P156 I185 Q186 R188 | Y144-V155 WeakPolarHBondContact CA-O 3.46Å; Y144-P156 HydrophobicContact CD1-CB 4.14Å; Y144-P156 HydrophobicContact CE1-CB 3.88Å; Y144-P156 HydrophobicContact CE1-CG 4.44Å; Y144-I185 CarbonylContact O-C 3.56Å; Y144-I185 WeakPolarHBondContact O-CA 3.4Å; Y144-Q186 PolarHBondContact N-O 3.15Å; Y144-Q186 PolarHBondContact O-N 3.13Å; Y144-R188 HydrophobicContact CD2-CB 4.1Å; Y144-R188 HydrophobicContact CD2-CG 4.34Å; Y144-R188 HydrophobicContact CE2-CB 3.88Å; Y144-R188 HydrophobicContact CE2-CG 3.62Å; Y144-R188 PolarHBondContact OH-NE 3.42Å |
| 145 | I | 90.2 | Very high | 85.9 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.5 | 172.4 | 63.8 | 168.8 | 0 | 0 | 0 | 111.1 | V143 T147 W154 V155 A157 A170 T172 A178 R180 I185 | V143-I145 HydrophobicContact CG2-CG2 4.29Å; I145-T147 PolarHBondContact O-N 2.75Å; I145-W154 WeakPolarHBondContact O-CA 3.35Å; I145-V155 PolarHBondContact N-O 2.98Å; I145-V155 PolarHBondContact O-N 3.02Å; I145-A157 HydrophobicContact CD1-CB 4.07Å; I145-A157 HydrophobicContact CG1-CB 3.96Å; I145-A157 HydrophobicContact CG2-CB 3.99Å; I145-A170 HydrophobicContact CG2-CB 3.66Å; I145-T172 HydrophobicContact CD1-CG2 3.7Å; I145-T172 HydrophobicContact CG1-CG2 4.12Å; I145-A178 HydrophobicContact CD1-CB 3.86Å; I145-R180 HydrophobicContact CB-CG 4.31Å; I145-I185 HydrophobicContact CG2-CG1 4.21Å |
| 146 | R | 89.2 | Confident | 86.5 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.3 | 174.2 | -162.5 | 177.5 | 178.4 | -161.9 | -1.6 | 111.7 | P153 W154 R180 L184 | R146-P153 CarbonylContact C-O 3.53Å; R146-P153 WeakPolarHBondContact CA-O 3.31Å; R146-P153 WeakPolarHBondContact CG-O 3.37Å; R146-W154 HydrophobicContact CB-CE3 4.28Å; R146-W154 HydrophobicContact CB-CH2 4.13Å; R146-W154 HydrophobicContact CB-CZ3 3.98Å; R146-R180 PolarHBondContact O-NE 3.4Å; R146-L184 HydrophobicContact CB-CB 4.13Å; R146-L184 PolarHBondContact N-O 2.92Å |
| 147 | T | 86.7 | Confident | 86.8 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | trans | -103.8 | 156.4 | 172.8 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | I145 P152 P153 V155 | I145-T147 PolarHBondContact O-N 2.75Å; T147-P152 PolarHBondContact OG1-O 3.25Å; T147-P153 PolarHBondContact N-O 3.38Å; T147-P153 PolarHBondContact OG1-O 2.82Å; T147-V155 HydrophobicContact CG2-CB 3.76Å; T147-V155 HydrophobicContact CG2-CG2 3.38Å | ||
| 148 | Y | 82.8 | Confident | 87.2 | Confident | 146 Ų | 146 | 74 Ų | 74 | 57% | 0.573 | 40% | 0.396 | S | S | * | . | trans | -121.5 | 11.4 | 177.9 | -56.2 | -69.4 | 0 | 0 | 0 | 111.9 | L184 | Y148-L184 WeakPolarHBondContact OH-CD1 3.31Š| ||
| 149 | E | 80.6 | Confident | 87.5 | Confident | 151 Ų | 151 | 67.6 Ų | 67.6 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -87.1 | 167 | 177.7 | -61.6 | -176.5 | 177.6 | 0 | 0 | 110.2 | G151 | E149-G151 PolarHBondContact O-N 2.82Š|
| 150 | T | 78.4 | Confident | 87.6 | Confident | 160 Ų | 160 | 66.6 Ų | 66.6 | 98% | 0.982 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -66.7 | 96.9 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 151 | G | 76.2 | Confident | 87.7 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 167.5 | -167.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E149 | E149-G151 PolarHBondContact O-N 2.82Š|
| 152 | P | 82.6 | Confident | 87.8 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | trans | -58.5 | 131.6 | 173.4 | -21.8 | 33.3 | 0 | 0 | 0 | 110.2 | T147 W154 | T147-P152 PolarHBondContact OG1-O 3.25Å; P152-W154 PolarHBondContact O-N 3.45Å; P152-W154 VanDerWaalsContact O-N 3.1Å | ||
| 153 | P | 86.6 | Confident | 87.8 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -70.4 | -6.8 | -175.4 | 27.9 | -35.2 | 0 | 0 | 0 | 113.6 | R146 T147 | R146-P153 CarbonylContact C-O 3.53Å; R146-P153 WeakPolarHBondContact CA-O 3.31Å; R146-P153 WeakPolarHBondContact CG-O 3.37Å; T147-P153 PolarHBondContact N-O 3.38Å; T147-P153 PolarHBondContact OG1-O 2.82Å |
| 154 | W | 89 | Confident | 87.4 | Confident | 85 Ų | 85 | 69 Ų | 69 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.5 | -179.3 | -66.1 | 104.5 | 0 | 0 | 0 | 109.6 | I145 R146 P152 L184 Q186 | I145-W154 WeakPolarHBondContact O-CA 3.35Å; R146-W154 HydrophobicContact CB-CE3 4.28Å; R146-W154 HydrophobicContact CB-CH2 4.13Å; R146-W154 HydrophobicContact CB-CZ3 3.98Å; P152-W154 PolarHBondContact O-N 3.45Å; P152-W154 VanDerWaalsContact O-N 3.1Å; W154-L184 WeakPolarHBondContact CZ3-O 3.4Å; W154-Q186 HydrophobicContact CE3-CG 4.3Å; W154-Q186 HydrophobicContact CH2-CG 3.81Å; W154-Q186 HydrophobicContact CZ2-CG 4.47Å; W154-Q186 HydrophobicContact CZ3-CB 4.43Å; W154-Q186 HydrophobicContact CZ3-CG 3.7Å |
| 155 | V | 88.8 | Confident | 87 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 21% | 0.212 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.5 | -179.8 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | Y144 I145 T147 T172 | Y144-V155 WeakPolarHBondContact CA-O 3.46Å; I145-V155 PolarHBondContact N-O 2.98Å; I145-V155 PolarHBondContact O-N 3.02Å; T147-V155 HydrophobicContact CG2-CB 3.76Å; T147-V155 HydrophobicContact CG2-CG2 3.38Å; V155-T172 HydrophobicContact CB-CG2 4.26Å; V155-T172 HydrophobicContact CG1-CG2 3.61Å |
| 156 | P | 91.8 | Very high | 86.8 | Confident | 28 Ų | 28 | 74 Ų | 74 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.3 | 178 | 27.2 | -35.4 | 0 | 0 | 0 | 111.4 | Y144 Q173 | Y144-P156 HydrophobicContact CD1-CB 4.14Å; Y144-P156 HydrophobicContact CE1-CB 3.88Å; Y144-P156 HydrophobicContact CE1-CG 4.44Å; P156-Q173 HydrophobicContact CG-CG 4.41Å |
| 157 | A | 91 | Very high | 86.8 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 5% | 0.05 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 168.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V143 I145 A170 T171 T172 | V143-A157 PolarHBondContact N-O 3.04Å; V143-A157 PolarHBondContact O-N 3.22Å; I145-A157 HydrophobicContact CD1-CB 4.07Å; I145-A157 HydrophobicContact CG1-CB 3.96Å; I145-A157 HydrophobicContact CG2-CB 3.99Å; A157-A170 HydrophobicContact CB-CB 3.96Å; A157-T171 CarbonylContact C-O 3.58Å; A157-T171 VanDerWaalsContact CA-O 3.25Å; A157-T171 WeakPolarHBondContact CA-O 3.15Å; A157-T171 WeakPolarHBondContact CB-O 3.49Å; A157-T172 HydrophobicContact CB-CG2 4.01Å |
| 158 | I | 93.9 | Very high | 87 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 43% | 0.431 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.5 | 175.7 | -59.5 | 172.3 | 0 | 0 | 0 | 108.6 | E141 S160 A170 T171 | E141-I158 WeakPolarHBondContact O-CA 3.47Å; I158-S160 PolarHBondContact O-N 3.03Å; I158-A170 CarbonylContact O-C 3.5Å; I158-A170 VanDerWaalsContact O-CA 3.27Å; I158-A170 WeakPolarHBondContact O-CA 3.27Å; I158-T171 PolarHBondContact N-O 3.32Å; I158-T171 PolarHBondContact O-N 3.46Å |
| 159 | I | 91.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 125.5 | 176.2 | -59.7 | -64 | 0 | 0 | 0 | 109.6 | F137 E138 N140 E141 V143 Y168 A170 I185 | F137-I159 HydrophobicContact CB-CD1 4.34Å; F137-I159 HydrophobicContact CB-CG1 3.99Å; E138-I159 WeakPolarHBondContact O-CB 3.45Å; E138-I159 WeakPolarHBondContact O-CG2 3.26Å; N140-I159 WeakPolarHBondContact CA-O 3.47Å; N140-I159 PolarHBondContact N-O 3.06Å; E141-I159 HydrophobicContact CB-CG1 4.44Å; E141-I159 PolarHBondContact O-N 3.06Å; V143-I159 HydrophobicContact CG1-CD1 4.27Å; V143-I159 HydrophobicContact CG1-CG1 3.98Å; V143-I159 HydrophobicContact CG2-CD1 3.6Å; V143-I159 HydrophobicContact CG2-CG1 3.83Å; I159-Y168 HydrophobicContact CG2-CD1 4.14Å; I159-A170 HydrophobicContact CD1-CB 4.14Å; I159-I185 HydrophobicContact CD1-CD1 4.12Å; I159-I185 HydrophobicContact CD1-CG2 4.11Å |
| 160 | S | 88.8 | Confident | 87.9 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -52.7 | 174.8 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | I158 E169 | I158-S160 PolarHBondContact O-N 3.03Å; S160-E169 WeakPolarHBondContact CB-O 3.38Å; S160-E169 PolarHBondContact N-O 2.88Å; S160-E169 WeakPolarHBondContact OG-CB 3.28Å; S160-E169 WeakPolarHBondContact OG-CG 3.5Å; S160-E169 PolarHBondContact OG-O 3.07Å |
| 161 | K | 89.3 | Confident | 88.5 | Confident | 115 Ų | 115 | 53 Ų | 53 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 155.1 | -178.7 | 59.7 | -175.9 | 174.6 | -175.3 | 0 | 112.7 | E169 | K161-E169 WeakPolarHBondContact CE-OE2 3.47Å; K161-E169 HydrophobicContact CG-CB 4.23Å; K161-E169 PolarHBondContact N-O 2.79Å; K161-E169 IonicContact NZ-OE2 3.63Å; K161-E169 PolarHBondContact O-N 2.84Å |
| 162 | P | 90.6 | Very high | 89.1 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 51% | 0.506 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 128 | 165.7 | 28.4 | -33.1 | 0 | 0 | 0 | 110.5 | Y168 | P162-Y168 HydrophobicContact CB-CD1 3.99Å; P162-Y168 HydrophobicContact CB-CE1 3.92Å |
| 163 | T | 90.4 | Very high | 89 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -19.4 | 175.6 | -43 | 0 | 0 | 0 | 0 | 112.5 | S167 E169 K179 | T163-S167 WeakPolarHBondContact CA-O 3.28Å; T163-S167 PolarHBondContact N-O 3.11Å; T163-E169 PolarHBondContact OG1-N 2.87Å; T163-K179 HydrophobicContact CG2-CD 3.91Å; T163-K179 HydrophobicContact CG2-CG 4.38Å |
| 164 | G | 84.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -174.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V166 S167 | G164-V166 PolarHBondContact O-N 3.38Å; G164-V166 VanDerWaalsContact O-N 3.07Å; G164-S167 PolarHBondContact N-O 3.47Å; G164-S167 PolarHBondContact O-N 2.91Å |
| 165 | P | 83.3 | Confident | 88.3 | Confident | 139 Ų | 139 | 55.2 Ų | 55.2 | 90% | 0.903 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.5 | -171.7 | -26.4 | 34 | 0 | 0 | 0 | 114.7 | ||
| 166 | V | 85.7 | Confident | 87.9 | Confident | 42 Ų | 42 | 60 Ų | 60 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 27.8 | -179.4 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | G164 H181 A182 | G164-V166 PolarHBondContact O-N 3.38Å; G164-V166 VanDerWaalsContact O-N 3.07Å; V166-H181 WeakPolarHBondContact CB-NE2 3.29Å; V166-H181 WeakPolarHBondContact CG1-CE1 3.45Å; V166-H181 CarbonylContact O-C 3.54Å; V166-H181 VanDerWaalsContact O-CA 3.31Å; V166-H181 WeakPolarHBondContact O-CA 3.27Å; V166-H181 PolarHBondContact O-CD2 3.1Å; V166-H181 VanDerWaalsContact O-CG 3.22Å; V166-A182 HydrophobicContact CG1-CB 3.53Å; V166-A182 PolarHBondContact O-N 3.46Å |
| 167 | S | 89.9 | Confident | 87.6 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 136.6 | -178.1 | -59 | 0 | 0 | 0 | 0 | 110.8 | T163 G164 R180 | T163-S167 WeakPolarHBondContact CA-O 3.28Å; T163-S167 PolarHBondContact N-O 3.11Å; G164-S167 PolarHBondContact N-O 3.47Å; G164-S167 PolarHBondContact O-N 2.91Å; S167-R180 CarbonylContact C-O 3.56Å; S167-R180 VanDerWaalsContact CA-O 3.31Å; S167-R180 WeakPolarHBondContact CA-O 3.49Å |
| 168 | Y | 91.1 | Very high | 87.3 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 8% | 0.078 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156 | -176.7 | -61.4 | -92.5 | 0 | 0 | 0 | 110.1 | F137 I159 P162 K179 R180 A182 I185 | F137-Y168 HydrophobicContact CB-CD1 4.46Å; F137-Y168 HydrophobicContact CB-CE1 4.18Å; F137-Y168 AromaticContact CD2-CD2 3.96Å; F137-Y168 HydrophobicContact CD2-CD2 3.96Å; F137-Y168 AromaticContact CD2-CE2 3.74Å; F137-Y168 HydrophobicContact CD2-CE2 3.74Å; F137-Y168 PolarHBondContact N-OH 3.31Å; F137-Y168 WeakPolarHBondContact O-CE1 3.43Å; I159-Y168 HydrophobicContact CG2-CD1 4.14Å; P162-Y168 HydrophobicContact CB-CD1 3.99Å; P162-Y168 HydrophobicContact CB-CE1 3.92Å; Y168-K179 WeakPolarHBondContact O-CA 3.47Å; Y168-R180 PolarHBondContact N-O 3.45Å; Y168-R180 PolarHBondContact O-N 3.22Å; Y168-R180 VanDerWaalsContact O-O 3.12Å; Y168-A182 HydrophobicContact CD2-CB 4.37Å; Y168-A182 HydrophobicContact CE2-CB 4.06Å; Y168-I185 HydrophobicContact CD2-CD1 4.05Å; Y168-I185 HydrophobicContact CG-CD1 4.29Å |
| 169 | E | 92.5 | Very high | 87.1 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.3 | 171.2 | -175.1 | 175.2 | 173.5 | 0 | 0 | 108.1 | S160 K161 T163 P177 | S160-E169 WeakPolarHBondContact CB-O 3.38Å; S160-E169 PolarHBondContact N-O 2.88Å; S160-E169 WeakPolarHBondContact OG-CB 3.28Å; S160-E169 WeakPolarHBondContact OG-CG 3.5Å; S160-E169 PolarHBondContact OG-O 3.07Å; K161-E169 WeakPolarHBondContact CE-OE2 3.47Å; K161-E169 HydrophobicContact CG-CB 4.23Å; K161-E169 PolarHBondContact N-O 2.79Å; K161-E169 IonicContact NZ-OE2 3.63Å; K161-E169 PolarHBondContact O-N 2.84Å; T163-E169 PolarHBondContact OG1-N 2.87Å; E169-P177 HydrophobicContact CG-CB 4.07Å; E169-P177 VanDerWaalsContact OE1-CB 3.27Å; E169-P177 WeakPolarHBondContact OE1-CB 3.36Å |
| 170 | A | 89.5 | Confident | 87 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I145 A157 I158 I159 A178 | I145-A170 HydrophobicContact CG2-CB 3.66Å; A157-A170 HydrophobicContact CB-CB 3.96Å; I158-A170 CarbonylContact O-C 3.5Å; I158-A170 VanDerWaalsContact O-CA 3.27Å; I158-A170 WeakPolarHBondContact O-CA 3.27Å; I159-A170 HydrophobicContact CD1-CB 4.14Å; A170-A178 PolarHBondContact N-O 3.14Å; A170-A178 PolarHBondContact O-N 3.45Å |
| 171 | T | 91.2 | Very high | 87.1 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 31% | 0.307 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.6 | 179 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | A157 I158 | A157-T171 CarbonylContact C-O 3.58Å; A157-T171 VanDerWaalsContact CA-O 3.25Å; A157-T171 WeakPolarHBondContact CA-O 3.15Å; A157-T171 WeakPolarHBondContact CB-O 3.49Å; I158-T171 PolarHBondContact N-O 3.32Å; I158-T171 PolarHBondContact O-N 3.46Å |
| 172 | T | 88.3 | Confident | 87.1 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 169.8 | 172.3 | 32.2 | 0 | 0 | 0 | 0 | 111.6 | I145 V155 A157 D174 G175 K176 | I145-T172 HydrophobicContact CD1-CG2 3.7Å; I145-T172 HydrophobicContact CG1-CG2 4.12Å; V155-T172 HydrophobicContact CB-CG2 4.26Å; V155-T172 HydrophobicContact CG1-CG2 3.61Å; A157-T172 HydrophobicContact CB-CG2 4.01Å; T172-D174 PolarHBondContact O-N 3.44Å; T172-D174 VanDerWaalsContact O-N 3.15Å; T172-G175 PolarHBondContact O-N 2.99Å; T172-K176 PolarHBondContact N-O 2.83Å; T172-K176 PolarHBondContact OG1-O 3.29Å |
| 173 | Q | 81.1 | Confident | 86.9 | Confident | 154 Ų | 154 | 64.1 Ų | 64.1 | 72% | 0.72 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28 | 175.9 | -64.1 | -178 | -6.8 | 0 | 0 | 113.2 | P156 G175 | P156-Q173 HydrophobicContact CG-CG 4.41Å; Q173-G175 PolarHBondContact O-N 3.34Å |
| 174 | D | 81.4 | Confident | 86.9 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 68% | 0.684 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -0.4 | 174.9 | -56.1 | -53.6 | 0 | 0 | 0 | 113.9 | T172 K176 | T172-D174 PolarHBondContact O-N 3.44Å; T172-D174 VanDerWaalsContact O-N 3.15Å; D174-K176 HydrophobicContact CB-CG 4.45Å; D174-K176 PolarHBondContact O-N 2.94Å |
| 175 | G | 78.5 | Confident | 87.1 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | trans | 74 | 4.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T172 Q173 P177 | T172-G175 PolarHBondContact O-N 2.99Å; Q173-G175 PolarHBondContact O-N 3.34Å; G175-P177 WeakPolarHBondContact O-CD 3.24Å | ||
| 176 | K | 81.6 | Confident | 87.4 | Confident | 135 Ų | 135 | 59 Ų | 59 | 59% | 0.587 | 31% | 0.31 | S | S | * | . | trans | -83 | 120 | 180 | -65.8 | -179.3 | -176.2 | 171.2 | 0 | 110.6 | T172 D174 A178 | T172-K176 PolarHBondContact N-O 2.83Å; T172-K176 PolarHBondContact OG1-O 3.29Å; D174-K176 HydrophobicContact CB-CG 4.45Å; D174-K176 PolarHBondContact O-N 2.94Å; K176-A178 PolarHBondContact O-N 3.5Å | ||
| 177 | P | 85.3 | Confident | 87.5 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129 | 175.1 | 27.6 | -32.1 | 0 | 0 | 0 | 110.7 | E169 G175 | E169-P177 HydrophobicContact CG-CB 4.07Å; E169-P177 VanDerWaalsContact OE1-CB 3.27Å; E169-P177 WeakPolarHBondContact OE1-CB 3.36Å; G175-P177 WeakPolarHBondContact O-CD 3.24Å |
| 178 | A | 85.1 | Confident | 87.2 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I145 A170 K176 | I145-A178 HydrophobicContact CD1-CB 3.86Å; A170-A178 PolarHBondContact N-O 3.14Å; A170-A178 PolarHBondContact O-N 3.45Å; K176-A178 PolarHBondContact O-N 3.5Å |
| 179 | K | 89.4 | Confident | 86.2 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.8 | 170.5 | -176.7 | 179 | -179.3 | 171.4 | 0 | 110.2 | T163 Y168 | T163-K179 HydrophobicContact CG2-CD 3.91Å; T163-K179 HydrophobicContact CG2-CG 4.38Å; Y168-K179 WeakPolarHBondContact O-CA 3.47Å |
| 180 | R | 89.9 | Confident | 84.6 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 23% | 0.226 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.7 | 178.3 | -65.1 | -64.6 | -179.8 | -103 | 2.2 | 111.2 | I145 R146 S167 Y168 I185 | I145-R180 HydrophobicContact CB-CG 4.31Å; R146-R180 PolarHBondContact O-NE 3.4Å; S167-R180 CarbonylContact C-O 3.56Å; S167-R180 VanDerWaalsContact CA-O 3.31Å; S167-R180 WeakPolarHBondContact CA-O 3.49Å; Y168-R180 PolarHBondContact N-O 3.45Å; Y168-R180 PolarHBondContact O-N 3.22Å; Y168-R180 VanDerWaalsContact O-O 3.12Å; R180-I185 HydrophobicContact CB-CD1 4.06Å; R180-I185 HydrophobicContact CB-CG1 3.92Å |
| 181 | H | 90.7 | Very high | 82.9 | Confident | 72 Ų | 72 | 81 Ų | 81 | 33% | 0.333 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 151.8 | 173.6 | -167.5 | -85.5 | 0 | 0 | 0 | 109.1 | V166 D183 L184 | V166-H181 WeakPolarHBondContact CB-NE2 3.29Å; V166-H181 WeakPolarHBondContact CG1-CE1 3.45Å; V166-H181 CarbonylContact O-C 3.54Å; V166-H181 VanDerWaalsContact O-CA 3.31Å; V166-H181 WeakPolarHBondContact O-CA 3.27Å; V166-H181 PolarHBondContact O-CD2 3.1Å; V166-H181 VanDerWaalsContact O-CG 3.22Å; H181-D183 VanDerWaalsContact C-N 3.29Å; H181-D183 VanDerWaalsContact CB-OD1 3.24Å; H181-D183 WeakPolarHBondContact CB-OD1 3.26Å; H181-D183 IonicContact CE1-OD1 3.83Å; H181-D183 IonicContact CG-OD1 3.3Å; H181-D183 VanDerWaalsContact CG-OD1 3.3Å; H181-D183 IonicContact ND1-OD1 2.69Å; H181-D183 PolarHBondContact ND1-OD1 2.85Å; H181-D183 IonicContact ND1-OD2 3.88Å; H181-D183 PolarHBondContact O-N 3.38Å; H181-L184 WeakPolarHBondContact O-CA 3.12Å; H181-L184 WeakPolarHBondContact O-CB 3.27Å; H181-L184 PolarHBondContact O-N 2.86Å |
| 182 | A | 87.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.008 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -58.1 | -38.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q135 F137 V166 Y168 L184 I185 | Q135-A182 HydrophobicContact CG-CB 4.38Å; Q135-A182 PolarHBondContact NE2-O 3.25Å; Q135-A182 WeakPolarHBondContact O-CB 3.48Å; F137-A182 HydrophobicContact CE2-CB 4.22Å; V166-A182 HydrophobicContact CG1-CB 3.53Å; V166-A182 PolarHBondContact O-N 3.46Å; Y168-A182 HydrophobicContact CD2-CB 4.37Å; Y168-A182 HydrophobicContact CE2-CB 4.06Å; A182-L184 PolarHBondContact O-N 3.49Å; A182-L184 VanDerWaalsContact O-N 3.16Å; A182-I185 WeakPolarHBondContact O-CB 3.49Å; A182-I185 PolarHBondContact O-N 3.5Å |
| 183 | D | 86.5 | Confident | 78.6 | Confident | 88 Ų | 88 | 89.6 Ų | 89.6 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -58.1 | -22.1 | 173.5 | 64.1 | -25 | 0 | 0 | 0 | 114.1 | H181 | H181-D183 VanDerWaalsContact C-N 3.29Å; H181-D183 VanDerWaalsContact CB-OD1 3.24Å; H181-D183 WeakPolarHBondContact CB-OD1 3.26Å; H181-D183 IonicContact CE1-OD1 3.83Å; H181-D183 IonicContact CG-OD1 3.3Å; H181-D183 VanDerWaalsContact CG-OD1 3.3Å; H181-D183 IonicContact ND1-OD1 2.69Å; H181-D183 PolarHBondContact ND1-OD1 2.85Å; H181-D183 IonicContact ND1-OD2 3.88Å; H181-D183 PolarHBondContact O-N 3.38Å |
| 184 | L | 90.3 | Very high | 76.7 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -97.3 | 11.2 | 176.8 | -54.4 | -176.4 | 0 | 0 | 0 | 113.2 | R146 Y148 W154 H181 A182 | R146-L184 HydrophobicContact CB-CB 4.13Å; R146-L184 PolarHBondContact N-O 2.92Å; Y148-L184 WeakPolarHBondContact OH-CD1 3.31Å; W154-L184 WeakPolarHBondContact CZ3-O 3.4Å; H181-L184 WeakPolarHBondContact O-CA 3.12Å; H181-L184 WeakPolarHBondContact O-CB 3.27Å; H181-L184 PolarHBondContact O-N 2.86Å; A182-L184 PolarHBondContact O-N 3.49Å; A182-L184 VanDerWaalsContact O-N 3.16Å |
| 185 | I | 90.2 | Very high | 74.5 | Confident | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.8 | 179.4 | -56.6 | 175.6 | 0 | 0 | 0 | 107.7 | Q135 F137 V143 Y144 I145 I159 Y168 R180 A182 | Q135-I185 PolarHBondContact NE2-O 3.07Å; F137-I185 HydrophobicContact CD1-CG2 4.27Å; F137-I185 HydrophobicContact CD2-CB 4.43Å; F137-I185 HydrophobicContact CD2-CG2 4.09Å; F137-I185 HydrophobicContact CE1-CG2 3.81Å; F137-I185 HydrophobicContact CE2-CB 3.7Å; F137-I185 HydrophobicContact CE2-CG2 3.65Å; F137-I185 HydrophobicContact CG-CG2 4.39Å; F137-I185 HydrophobicContact CZ-CB 3.79Å; F137-I185 HydrophobicContact CZ-CG2 3.5Å; F137-I185 WeakPolarHBondContact CZ-O 3.45Å; V143-I185 HydrophobicContact CB-CG2 3.58Å; V143-I185 HydrophobicContact CG1-CG2 3.8Å; V143-I185 HydrophobicContact CG2-CG2 3.71Å; Y144-I185 CarbonylContact O-C 3.56Å; Y144-I185 WeakPolarHBondContact O-CA 3.4Å; I145-I185 HydrophobicContact CG2-CG1 4.21Å; I159-I185 HydrophobicContact CD1-CD1 4.12Å; I159-I185 HydrophobicContact CD1-CG2 4.11Å; Y168-I185 HydrophobicContact CD2-CD1 4.05Å; Y168-I185 HydrophobicContact CG-CD1 4.29Å; R180-I185 HydrophobicContact CB-CD1 4.06Å; R180-I185 HydrophobicContact CB-CG1 3.92Å; A182-I185 WeakPolarHBondContact O-CB 3.49Å; A182-I185 PolarHBondContact O-N 3.5Å |
| 186 | Q | 89.1 | Confident | 72.3 | Confident | 90 Ų | 90 | 90.2 Ų | 90.2 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.8 | 178.5 | -65.5 | -177.5 | 6 | 0 | 0 | 110.8 | V143 Y144 W154 R188 | V143-Q186 CarbonylContact C-O 3.43Å; V143-Q186 WeakPolarHBondContact CA-O 3.47Å; V143-Q186 VanDerWaalsContact CB-O 3.23Å; V143-Q186 WeakPolarHBondContact CB-O 3.35Å; Y144-Q186 PolarHBondContact N-O 3.15Å; Y144-Q186 PolarHBondContact O-N 3.13Å; W154-Q186 HydrophobicContact CE3-CG 4.3Å; W154-Q186 HydrophobicContact CH2-CG 3.81Å; W154-Q186 HydrophobicContact CZ2-CG 4.47Å; W154-Q186 HydrophobicContact CZ3-CB 4.43Å; W154-Q186 HydrophobicContact CZ3-CG 3.7Å; Q186-R188 PolarHBondContact O-N 2.98Å |
| 187 | K | 87.2 | Confident | 70.3 | Confident | 119 Ų | 119 | 91.8 Ų | 91.8 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 133.3 | 175.8 | -66.9 | -173.8 | 173.2 | 174 | 0 | 110.5 | F137 E141 | F137-K187 HydrophobicContact CD1-CG 4.17Å; F137-K187 HydrophobicContact CE1-CG 3.59Å; E141-K187 WeakPolarHBondContact OE1-CE 3.31Å |
| 188 | R | 83.6 | Confident | 67.9 | Low | 113 Ų | 113 | 95 Ų | 95 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | trans | -94.3 | 97.9 | 171.8 | -176.5 | 175.8 | -179.4 | -168.5 | 0.2 | 108.8 | A142 Y144 Q186 | A142-R188 HydrophobicContact CB-CB 4.35Å; A142-R188 VanDerWaalsContact O-CB 3.29Å; A142-R188 WeakPolarHBondContact O-CB 3.44Å; A142-R188 PolarHBondContact O-N 2.8Å; A142-R188 VanDerWaalsContact O-N 3.07Å; Y144-R188 HydrophobicContact CD2-CB 4.1Å; Y144-R188 HydrophobicContact CD2-CG 4.34Å; Y144-R188 HydrophobicContact CE2-CB 3.88Å; Y144-R188 HydrophobicContact CE2-CG 3.62Å; Y144-R188 PolarHBondContact OH-NE 3.42Å; Q186-R188 PolarHBondContact O-N 2.98Å | ||
| 189 | S | 69.9 | Low | 65.6 | Low | 77 Ų | 77 | 98.3 Ų | 98.3 | 54% | 0.538 | 55% | 0.55 | S | S | . | * | trans | -70.5 | 127.3 | 163.3 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | E191 | S189-E191 PolarHBondContact O-N 3.03Å; S189-E191 VanDerWaalsContact O-N 3.08Å | ||
| 190 | P | 59.3 | Low | 62.9 | Low | 119 Ų | 119 | 98.1 Ų | 98.1 | 77% | 0.773 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 3.2 | 179.8 | 27.5 | -32.9 | 0 | 0 | 0 | 114.2 | N192 | P190-N192 VanDerWaalsContact C-N 3.34Å; P190-N192 PolarHBondContact O-N 3.24Å |
| 191 | E | 53.6 | Low | 60.7 | Low | 169 Ų | 169 | 100.6 Ų | 100.6 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -15.2 | -176.6 | -160.7 | 168 | -163 | 0 | 0 | 114.3 | S189 S193 | S189-E191 PolarHBondContact O-N 3.03Å; S189-E191 VanDerWaalsContact O-N 3.08Å; E191-S193 PolarHBondContact O-N 3.44Å |
| 192 | N | 47.2 | Very low | 58.5 | Low | 161 Ų | 161 | 102.8 Ų | 102.8 | 86% | 0.861 | 61% | 0.609 | S | S | * | * | trans | -90.2 | 73.6 | 172 | -80.2 | -22.7 | 0 | 0 | 0 | 111.1 | P190 | P190-N192 VanDerWaalsContact C-N 3.34Å; P190-N192 PolarHBondContact O-N 3.24Å | ||
| 193 | S | 42.9 | Very low | 55.8 | Low | 90 Ų | 90 | 107.9 Ų | 107.9 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | trans | -142.2 | 115.5 | 156.9 | -152.5 | 0 | 0 | 0 | 0 | 108.9 | E191 | E191-S193 PolarHBondContact O-N 3.44Š| ||
| 194 | P | 40.6 | Very low | 53.9 | Low | 118 Ų | 118 | 109.7 Ų | 109.7 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -68.3 | 135.6 | 170.4 | 29 | -29.2 | 0 | 0 | 0 | 108.3 | ||
| 195 | N | 36 | Very low | 51.2 | Low | 155 Ų | 155 | 114 Ų | 114 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 78.9 | 111.9 | 180 | -58.4 | -31.9 | 0 | 0 | 0 | 116.1 | ||
| 196 | G | 30.8 | Very low | 48.7 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | -59 | 141.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 197 | N | 40.5 | Very low | 46.3 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | -145.3 | 124.6 | 139.8 | -91.2 | -29.9 | 0 | 0 | 0 | 107.8 | ||||
| 198 | V | 34.1 | Very low | 44.1 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | -58.5 | 125.9 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 199 | A | 38.6 | Very low | 41.6 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -170.3 | 79.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 200 | S | 32.7 | Very low | 40 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -87 | 120 | 151.1 | -57.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 201 | P | 42.9 | Very low | 38.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | -149.9 | 174.9 | 126.5 | 41 | -23.9 | 0 | 0 | 0 | 112.3 | |||||
| 202 | P | 44.7 | Very low | 38.1 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -117.9 | 165.1 | -83.6 | 27.9 | -8.2 | 0 | 0 | 0 | 112.8 | P204 | P202-P204 WeakPolarHBondContact O-CD 3.31Š| |||
| 203 | S | 32 | Very low | 37.8 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -47.7 | 125.8 | 165.7 | -74 | 0 | 0 | 0 | 0 | 112.9 | V205 | S203-V205 PolarHBondContact O-N 3.08Š| ||
| 204 | P | 46.1 | Very low | 38 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -80.8 | 102.4 | 147.3 | 13.3 | 4.7 | 0 | 0 | 0 | 107.5 | P202 | P202-P204 WeakPolarHBondContact O-CD 3.31Š| ||
| 205 | V | 32.1 | Very low | 38 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -73.4 | 130.4 | 156.5 | 175.2 | 0 | 0 | 0 | 0 | 106.7 | S203 | S203-V205 PolarHBondContact O-N 3.08Š| ||
| 206 | Q | 37.8 | Very low | 38.5 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 131.4 | 136.1 | 167.3 | -76.4 | 162.8 | 17 | 0 | 0 | 109.1 | ||||
| 207 | A | 39.8 | Very low | 39.4 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | cis | -172.9 | 168.9 | -6.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 208 | E | 41.2 | Very low | 39.9 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 75.3 | 83.3 | 154.3 | -69.6 | -178.8 | 164.6 | 0 | 0 | 120.7 | ||||
| 209 | K | 30.3 | Very low | 40.6 | Very low | 206 Ų | 206 | 128.3 Ų | 128.3 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | -9.1 | 135.7 | 128.7 | -168 | 176.7 | -176.8 | -178.9 | 0 | 117.8 | |||||
| 210 | A | 35.8 | Very low | 41.1 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 83.3 | 90.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 211 | T | 35.4 | Very low | 42 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -108.6 | 123.7 | 145.2 | -65.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 212 | T | 38.1 | Very low | 42.7 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 151.2 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 213 | P | 41.2 | Very low | 43.2 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 134.6 | -164.2 | 2.8 | 13.1 | 0 | 0 | 0 | 112.4 | ||
| 214 | Q | 47.2 | Very low | 44.6 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 148.9 | 163.5 | -74.3 | -70.8 | -65.8 | 0 | 0 | 109.9 | ||
| 215 | P | 41.1 | Very low | 44.9 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 135.5 | -167.5 | 5 | 9.4 | 0 | 0 | 0 | 111.3 | P217 | P215-P217 WeakPolarHBondContact O-CD 3.38Š|
| 216 | D | 45.5 | Very low | 46.5 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 118.3 | 178.1 | -86.4 | -42.8 | 0 | 0 | 0 | 111.6 | S218 | D216-S218 PolarHBondContact O-N 2.85Å; D216-S218 VanDerWaalsContact O-N 3.1Å |
| 217 | P | 51.4 | Low | 47.7 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 115.3 | 162.6 | 27 | -29.7 | 0 | 0 | 0 | 106.9 | P215 V219 | P215-P217 WeakPolarHBondContact O-CD 3.38Å; P217-V219 PolarHBondContact O-N 3.2Å | ||
| 218 | S | 50.7 | Low | 49 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -19.7 | 91.3 | 172.9 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | D216 P220 | D216-S218 PolarHBondContact O-N 2.85Å; D216-S218 VanDerWaalsContact O-N 3.1Å; S218-P220 WeakPolarHBondContact O-CD 3.45Å | ||
| 219 | V | 48.1 | Very low | 49.9 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 120.6 | 179.5 | -179.7 | 0 | 0 | 0 | 0 | 107 | P217 S221 | P217-V219 PolarHBondContact O-N 3.2Å; V219-S221 PolarHBondContact O-N 3.26Å |
| 220 | P | 49.2 | Very low | 51.6 | Low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 131.9 | -179.7 | 21 | -31 | 0 | 0 | 0 | 109.8 | S218 R222 | S218-P220 WeakPolarHBondContact O-CD 3.45Å; P220-R222 PolarHBondContact O-N 3.03Å |
| 221 | S | 51.9 | Low | 53.3 | Low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.1 | -178.7 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | V219 | V219-S221 PolarHBondContact O-N 3.26Š|
| 222 | R | 58 | Low | 54.8 | Low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55 | 129.3 | -178.4 | -174.1 | -178.8 | -167.6 | -140.5 | 7.1 | 111 | P220 K224 | P220-R222 PolarHBondContact O-N 3.03Å; R222-K224 PolarHBondContact O-N 2.79Å |
| 223 | P | 55.4 | Low | 56.1 | Low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 133.4 | 177.5 | 22.9 | -31.9 | 0 | 0 | 0 | 111.2 | R225 | P223-R225 PolarHBondContact O-N 3.11Š|
| 224 | K | 59.8 | Low | 57.4 | Low | 210 Ų | 210 | 138.4 Ų | 138.4 | 91% | 0.913 | 71% | 0.705 | S | S | * | * | trans | -73.4 | 97.9 | 178.7 | -164.8 | 173.1 | -174.2 | 177.8 | 0 | 109.2 | R222 I226 | R222-K224 PolarHBondContact O-N 2.79Å; K224-I226 PolarHBondContact O-N 3.22Å | ||
| 225 | R | 53.2 | Low | 58.5 | Low | 222 Ų | 222 | 136.7 Ų | 136.7 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -74.1 | 122.4 | 177.9 | -169.3 | 178.3 | -178.1 | -159.9 | 1 | 110.5 | P223 R227 | P223-R225 PolarHBondContact O-N 3.11Å; R225-R227 PolarHBondContact O-N 3.32Å | ||
| 226 | I | 66.4 | Low | 59.1 | Low | 143 Ų | 143 | 138.2 Ų | 138.2 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -71.3 | 121 | 168.7 | -59.1 | 170 | 0 | 0 | 0 | 107.7 | K224 | K224-I226 PolarHBondContact O-N 3.22Š| ||
| 227 | R | 62.1 | Low | 60 | Low | 231 Ų | 231 | 137.8 Ų | 137.8 | 87% | 0.872 | 70% | 0.696 | S | S | * | * | trans | -91.5 | 111.7 | 174 | -65 | -175 | 179.7 | -157.1 | 0.7 | 108.3 | R225 | R225-R227 PolarHBondContact O-N 3.32Š| ||
| 228 | N | 66.4 | Low | 60 | Low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 124.6 | 172.2 | -75.2 | -7.6 | 0 | 0 | 0 | 109.7 | ||
| 229 | R | 61.7 | Low | 60.5 | Low | 128 Ų | 128 | 143.4 Ų | 143.4 | 48% | 0.483 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 135.7 | 169.1 | -172.4 | 179.1 | -171.8 | -163.4 | -0.8 | 108.9 | L233 | R229-L233 HydrophobicContact CG-CB 4.04Å; R229-L233 HydrophobicContact CG-CD2 4.35Å; R229-L233 VanDerWaalsContact NE-CD2 3.31Å; R229-L233 PolarHBondContact NH1-O 3.35Å; R229-L233 PolarHBondContact NH2-O 3.37Å |
| 230 | P | 65.3 | Low | 61.2 | Low | 65 Ų | 65 | 144.9 Ų | 144.9 | 42% | 0.422 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 146.4 | 173.9 | -23.7 | 32.5 | 0 | 0 | 0 | 112.1 | Y232 L233 | P230-Y232 VanDerWaalsContact C-N 3.33Å; P230-Y232 HydrophobicContact CB-CD1 3.62Å; P230-Y232 HydrophobicContact CB-CE1 3.3Å; P230-Y232 HydrophobicContact CG-CE1 4.01Å; P230-Y232 PolarHBondContact O-N 3.49Å; P230-L233 PolarHBondContact O-N 3.11Å |
| 231 | A | 70.9 | Confident | 61.8 | Low | 69 Ų | 69 | 146.6 Ų | 146.6 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -60.7 | -39.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L233 K234 | A231-L233 PolarHBondContact O-N 3Å; A231-L233 VanDerWaalsContact O-N 3.08Å; A231-K234 WeakPolarHBondContact O-CB 3.29Å; A231-K234 WeakPolarHBondContact O-CG 3.25Å; A231-K234 PolarHBondContact O-N 3.13Å; A231-K234 VanDerWaalsContact O-N 3.12Å |
| 232 | Y | 68 | Low | 62.4 | Low | 147 Ų | 147 | 148.1 Ų | 148.1 | 58% | 0.576 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -65.7 | -12.4 | -177.7 | 71.7 | -92.3 | 0 | 0 | 0 | 114.3 | P230 | P230-Y232 VanDerWaalsContact C-N 3.33Å; P230-Y232 HydrophobicContact CB-CD1 3.62Å; P230-Y232 HydrophobicContact CB-CE1 3.3Å; P230-Y232 HydrophobicContact CG-CE1 4.01Å; P230-Y232 PolarHBondContact O-N 3.49Å |
| 233 | L | 65.3 | Low | 62.7 | Low | 59 Ų | 59 | 142.8 Ų | 142.8 | 31% | 0.309 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -95.4 | -10 | 179.9 | -134.7 | 81.1 | 0 | 0 | 0 | 112.1 | R229 P230 A231 D235 Y236 | R229-L233 HydrophobicContact CG-CB 4.04Å; R229-L233 HydrophobicContact CG-CD2 4.35Å; R229-L233 VanDerWaalsContact NE-CD2 3.31Å; R229-L233 PolarHBondContact NH1-O 3.35Å; R229-L233 PolarHBondContact NH2-O 3.37Å; P230-L233 PolarHBondContact O-N 3.11Å; A231-L233 PolarHBondContact O-N 3Å; A231-L233 VanDerWaalsContact O-N 3.08Å; L233-D235 PolarHBondContact O-N 3.3Å; L233-Y236 PolarHBondContact O-N 3.38Å |
| 234 | K | 67.6 | Low | 63.2 | Low | 141 Ų | 141 | 144.7 Ų | 144.7 | 61% | 0.613 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -27.3 | -176.4 | -68.5 | 176.7 | 179 | 178.1 | 0 | 113.1 | A231 Y236 | A231-K234 WeakPolarHBondContact O-CB 3.29Å; A231-K234 WeakPolarHBondContact O-CG 3.25Å; A231-K234 PolarHBondContact O-N 3.13Å; A231-K234 VanDerWaalsContact O-N 3.12Å; K234-Y236 VanDerWaalsContact C-N 3.3Å; K234-Y236 PolarHBondContact O-N 3.16Å |
| 235 | D | 70.6 | Confident | 63.4 | Low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -3.5 | -171.7 | -45.2 | -20.4 | 0 | 0 | 0 | 112.4 | L233 V237 | L233-D235 PolarHBondContact O-N 3.3Å; D235-V237 PolarHBondContact O-N 3.48Å |
| 236 | Y | 54.1 | Low | 64.2 | Low | 141 Ų | 141 | 133.7 Ų | 133.7 | 55% | 0.553 | 68% | 0.676 | S | S | * | * | trans | -80.9 | 98.6 | 170.9 | -83.1 | -92.8 | 0 | 0 | 0 | 109.8 | L233 K234 | L233-Y236 PolarHBondContact O-N 3.38Å; K234-Y236 VanDerWaalsContact C-N 3.3Å; K234-Y236 PolarHBondContact O-N 3.16Å | ||
| 237 | V | 63.2 | Low | 64 | Low | 137 Ų | 137 | 132.9 Ų | 132.9 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | trans | -83.8 | 120.7 | 163.3 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | D235 | D235-V237 PolarHBondContact O-N 3.48Š| ||
| 238 | C | 53.5 | Low | 64.2 | Low | 196 Ų | 196 | 124 Ų | 124 | 100% | 1.324 | 65% | 0.653 | S | S | * | * | trans | -77.9 | 0 | 167 | -71.2 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 238 of 238 residues in 95.6 ms
(Link to these results)