| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.9 | Very low | 47.7 | Very low | 250 Ų | 250 | 176.9 Ų | 176.9 | 100% | 1.232 | 90% | 0.899 | S | S | * | * | 0 | 132.8 | 0 | -91.8 | 176.9 | 163.5 | 0 | 0 | 109 | |||||
| 2 | A | 50.3 | Low | 47.3 | Very low | 104 Ų | 104 | 171.8 Ų | 171.8 | 86% | 0.86 | 89% | 0.891 | S | S | * | * | trans | 63.4 | 90.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 3 | L | 44.7 | Very low | 46.9 | Very low | 167 Ų | 167 | 167.5 Ų | 167.5 | 87% | 0.874 | 89% | 0.885 | S | S | * | * | trans | -81.9 | 133.4 | 154.9 | -79.7 | 146.7 | 0 | 0 | 0 | 109.7 | ||||
| 4 | T | 62.1 | Low | 46.6 | Very low | 142 Ų | 142 | 163.8 Ų | 163.8 | 87% | 0.871 | 88% | 0.879 | S | S | * | * | trans | -133.1 | 114.6 | 159.3 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 5 | K | 49 | Very low | 46.1 | Very low | 209 Ų | 209 | 157.3 Ų | 157.3 | 91% | 0.909 | 87% | 0.866 | S | S | * | * | trans | -83.8 | 126.9 | 175.9 | -85.3 | 173.4 | 170.3 | 173.9 | 0 | 109.5 | ||||
| 6 | K | 55.7 | Low | 45.7 | Very low | 198 Ų | 198 | 154.8 Ų | 154.8 | 86% | 0.861 | 86% | 0.864 | S | S | * | * | trans | -110.2 | 110.5 | 166.2 | -161 | 170.9 | -176.7 | 175.8 | 0 | 110.1 | ||||
| 7 | K | 44.2 | Very low | 45.8 | Very low | 202 Ų | 202 | 157.9 Ų | 157.9 | 88% | 0.878 | 86% | 0.861 | S | S | * | * | trans | -77.9 | 111 | 179.8 | -169.5 | 177.8 | -175.2 | -179.9 | 0 | 108.8 | ||||
| 8 | Q | 47.8 | Very low | 45.7 | Very low | 180 Ų | 180 | 152 Ų | 152 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 139 | 167.5 | -79.3 | -166.4 | -14 | 0 | 0 | 110.6 | ||
| 9 | R | 41.2 | Very low | 46.1 | Very low | 240 Ų | 240 | 150.4 Ų | 150.4 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 131.2 | -167.3 | -61 | 164.6 | 89 | 174.9 | 5.4 | 109.2 | ||
| 10 | T | 43.7 | Very low | 46.7 | Very low | 143 Ų | 143 | 146 Ų | 146 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 116.6 | 168.1 | 46.3 | 0 | 0 | 0 | 0 | 109 | ||
| 11 | S | 43.4 | Very low | 47.1 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -106.1 | 97.7 | 165.9 | 53.5 | 0 | 0 | 0 | 0 | 107.9 | S13 | S11-S13 PolarHBondContact O-N 2.75Š| ||
| 12 | S | 43 | Very low | 47.6 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -76.3 | 100.6 | 169.5 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | S14 | S12-S14 PolarHBondContact O-N 2.95Š| ||
| 13 | S | 41.9 | Very low | 48.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -73.5 | 100.6 | 168.9 | 47.5 | 0 | 0 | 0 | 0 | 109.3 | S11 G15 | S11-S13 PolarHBondContact O-N 2.75Å; S13-G15 PolarHBondContact O-N 3.37Å | ||
| 14 | S | 42.5 | Very low | 48.9 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | -66.4 | 98.9 | 165.3 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | S12 S16 | S12-S14 PolarHBondContact O-N 2.95Å; S14-S16 PolarHBondContact O-N 2.76Å | ||
| 15 | G | 39.5 | Very low | 49 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | trans | -62.7 | 102.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | S13 Y17 | S13-G15 PolarHBondContact O-N 3.37Å; G15-Y17 VanDerWaalsContact C-N 3.32Å; G15-Y17 PolarHBondContact O-N 3.31Å | ||
| 16 | S | 39.1 | Very low | 49.6 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | trans | -67.8 | 86.5 | 167.3 | 46.5 | 0 | 0 | 0 | 0 | 109.9 | S14 S18 | S14-S16 PolarHBondContact O-N 2.76Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.06Å | ||
| 17 | Y | 47.1 | Very low | 50.2 | Low | 207 Ų | 207 | 121.7 Ų | 121.7 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | trans | -72.3 | 91.9 | 165.8 | -99.1 | -88.7 | 0 | 0 | 0 | 109.3 | G15 T19 | G15-Y17 VanDerWaalsContact C-N 3.32Å; G15-Y17 PolarHBondContact O-N 3.31Å; Y17-T19 PolarHBondContact O-N 3.16Å | ||
| 18 | S | 43.8 | Very low | 51.6 | Low | 52 Ų | 52 | 120.3 Ų | 120.3 | 36% | 0.364 | 67% | 0.669 | S | S | . | * | trans | -3.5 | 100.6 | 157.7 | -169.6 | 0 | 0 | 0 | 0 | 117 | S16 S20 Q21 | S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.06Å; S18-S20 PolarHBondContact O-N 3.27Å; S18-S20 PolarHBondContact OG-OG 3.16Å; S18-Q21 PolarHBondContact O-N 3.19Å; S18-Q21 VanDerWaalsContact O-N 3.08Å | ||
| 19 | T | 54.3 | Low | 52.3 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 74% | 0.742 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -52.8 | -17.4 | 169.2 | -46 | 0 | 0 | 0 | 0 | 113.6 | Y17 T22 S23 | Y17-T19 PolarHBondContact O-N 3.16Å; T19-T22 PolarHBondContact O-OG1 3.46Å; T19-T22 VanDerWaalsContact O-OG1 3.12Å; T19-S23 WeakPolarHBondContact O-CB 3.33Å; T19-S23 PolarHBondContact O-N 3.02Å |
| 20 | S | 57.6 | Low | 53.5 | Low | 63 Ų | 63 | 112.6 Ų | 112.6 | 44% | 0.441 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -80 | -25.7 | 178.7 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | S18 Q24 | S18-S20 PolarHBondContact O-N 3.27Å; S18-S20 PolarHBondContact OG-OG 3.16Å; S20-Q24 WeakPolarHBondContact O-CB 3.45Å; S20-Q24 VanDerWaalsContact O-CG 3.22Å; S20-Q24 WeakPolarHBondContact O-CG 3.39Å; S20-Q24 PolarHBondContact O-N 3.34Å; S20-Q24 VanDerWaalsContact O-N 3.09Å |
| 21 | Q | 55.7 | Low | 54 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 55% | 0.547 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.6 | -39.3 | 177 | -72.8 | -173.1 | 4.2 | 0 | 0 | 112.1 | S18 Q24 L25 | S18-Q21 PolarHBondContact O-N 3.19Å; S18-Q21 VanDerWaalsContact O-N 3.08Å; Q21-Q24 PolarHBondContact O-N 2.95Å; Q21-L25 PolarHBondContact O-N 3.41Å; Q21-L25 VanDerWaalsContact O-N 3.16Å |
| 22 | T | 53.5 | Low | 54.4 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 51% | 0.509 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66 | -43 | 173.1 | 42.4 | 0 | 0 | 0 | 0 | 111.3 | T19 Q24 L25 E26 | T19-T22 PolarHBondContact O-OG1 3.46Å; T19-T22 VanDerWaalsContact O-OG1 3.12Å; T22-Q24 VanDerWaalsContact C-N 3.34Å; T22-Q24 PolarHBondContact O-N 3.46Å; T22-L25 PolarHBondContact O-N 2.88Å; T22-E26 PolarHBondContact O-N 3.11Å |
| 23 | S | 60.1 | Low | 54.6 | Low | 59 Ų | 59 | 111.9 Ų | 111.9 | 41% | 0.413 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.1 | -39.8 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 112.9 | T19 E26 E27 | T19-S23 WeakPolarHBondContact O-CB 3.33Å; T19-S23 PolarHBondContact O-N 3.02Å; S23-E26 PolarHBondContact O-N 3.34Å; S23-E27 WeakPolarHBondContact O-CB 3.2Å; S23-E27 PolarHBondContact O-N 3.26Å |
| 24 | Q | 62.9 | Low | 54.7 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 51% | 0.514 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.4 | -34 | 177.6 | -75.9 | 176.8 | 32.1 | 0 | 0 | 113 | S20 Q21 T22 K28 | S20-Q24 WeakPolarHBondContact O-CB 3.45Å; S20-Q24 VanDerWaalsContact O-CG 3.22Å; S20-Q24 WeakPolarHBondContact O-CG 3.39Å; S20-Q24 PolarHBondContact O-N 3.34Å; S20-Q24 VanDerWaalsContact O-N 3.09Å; Q21-Q24 PolarHBondContact O-N 2.95Å; T22-Q24 VanDerWaalsContact C-N 3.34Å; T22-Q24 PolarHBondContact O-N 3.46Å; Q24-K28 WeakPolarHBondContact O-CB 3.29Å; Q24-K28 WeakPolarHBondContact O-CG 3.44Å; Q24-K28 PolarHBondContact O-N 2.81Å; Q24-K28 VanDerWaalsContact O-N 3.15Å |
| 25 | L | 62.4 | Low | 54.7 | Low | 108 Ų | 108 | 121.1 Ų | 121.1 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.1 | -42.2 | 173.7 | -75 | 171.5 | 0 | 0 | 0 | 111.2 | Q21 T22 K28 L29 | Q21-L25 PolarHBondContact O-N 3.41Å; Q21-L25 VanDerWaalsContact O-N 3.16Å; T22-L25 PolarHBondContact O-N 2.88Å; L25-K28 PolarHBondContact O-N 2.98Å; L25-L29 WeakPolarHBondContact O-CB 3.46Å; L25-L29 VanDerWaalsContact O-CG 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.49Å |
| 26 | E | 63.1 | Low | 54.8 | Low | 127 Ų | 127 | 130.3 Ų | 130.3 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.1 | -42.3 | 174.5 | -75.9 | -170.7 | 152.8 | 0 | 0 | 112.2 | T22 S23 K28 L29 Y30 | T22-E26 PolarHBondContact O-N 3.11Å; S23-E26 PolarHBondContact O-N 3.34Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.48Å; E26-L29 PolarHBondContact O-N 3.44Å; E26-Y30 WeakPolarHBondContact O-CB 3.45Å; E26-Y30 WeakPolarHBondContact O-CD2 3.47Å; E26-Y30 PolarHBondContact O-N 3.46Å |
| 27 | E | 67.8 | Low | 54.9 | Low | 101 Ų | 101 | 135.1 Ų | 135.1 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.6 | -36.3 | 177.1 | -125 | -176.3 | 171.3 | 0 | 0 | 112.2 | S23 G31 K32 | S23-E27 WeakPolarHBondContact O-CB 3.2Å; S23-E27 PolarHBondContact O-N 3.26Å; E27-G31 PolarHBondContact O-N 3.33Å; E27-K32 WeakPolarHBondContact OE1-CE 3.3Å; E27-K32 IonicContact OE1-NZ 3.48Å |
| 28 | K | 73 | Confident | 54.5 | Low | 173 Ų | 173 | 131.8 Ų | 131.8 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.8 | -34.5 | 175.7 | -80.6 | 178.9 | -179.1 | 176.5 | 0 | 113.1 | Q24 L25 E26 | Q24-K28 WeakPolarHBondContact O-CB 3.29Å; Q24-K28 WeakPolarHBondContact O-CG 3.44Å; Q24-K28 PolarHBondContact O-N 2.81Å; Q24-K28 VanDerWaalsContact O-N 3.15Å; L25-K28 PolarHBondContact O-N 2.98Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.48Å |
| 29 | L | 63.9 | Low | 54.5 | Low | 98 Ų | 98 | 135.1 Ų | 135.1 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -82.5 | -34.6 | -177.7 | -71.9 | 170.6 | 0 | 0 | 0 | 112.8 | L25 E26 I141 | L25-L29 WeakPolarHBondContact O-CB 3.46Å; L25-L29 VanDerWaalsContact O-CG 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.49Å; E26-L29 PolarHBondContact O-N 3.44Å; L29-I141 HydrophobicContact CD2-CG2 4.3Å |
| 30 | Y | 65.9 | Low | 54.2 | Low | 160 Ų | 160 | 139.6 Ų | 139.6 | 63% | 0.627 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -111.4 | -6.7 | -169.3 | -67.3 | -72.8 | 0 | 0 | 0 | 115.8 | E26 | E26-Y30 WeakPolarHBondContact O-CB 3.45Å; E26-Y30 WeakPolarHBondContact O-CD2 3.47Å; E26-Y30 PolarHBondContact O-N 3.46Å |
| 31 | G | 53.8 | Low | 53.6 | Low | 45 Ų | 45 | 142.3 Ų | 142.3 | 46% | 0.464 | 68% | 0.676 | S | S | . | * | trans | 66.6 | 149.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E27 D33 | E27-G31 PolarHBondContact O-N 3.33Å; G31-D33 PolarHBondContact O-N 3.31Å | ||
| 32 | K | 52.6 | Low | 53.3 | Low | 173 Ų | 173 | 141.6 Ų | 141.6 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -71.3 | 72.7 | 177.9 | -81.1 | 177.1 | 174.7 | 170.1 | 0 | 111.4 | E27 | E27-K32 WeakPolarHBondContact OE1-CE 3.3Å; E27-K32 IonicContact OE1-NZ 3.48Å |
| 33 | D | 46.4 | Very low | 52.8 | Low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | -101.1 | 31.3 | -178.4 | -99.6 | -20.7 | 0 | 0 | 0 | 114 | G31 | G31-D33 PolarHBondContact O-N 3.31Š| ||
| 34 | H | 43.8 | Very low | 52.2 | Low | 184 Ų | 184 | 152.2 Ų | 152.2 | 85% | 0.852 | 72% | 0.718 | S | S | * | * | trans | -144.2 | 69.5 | 172.5 | -67.8 | -51.2 | 0 | 0 | 0 | 114 | ||||
| 35 | R | 42 | Very low | 51.4 | Low | 242 Ų | 242 | 152 Ų | 152 | 91% | 0.913 | 73% | 0.728 | S | S | * | * | trans | -140.3 | 17.5 | 154.6 | -70.5 | -162.6 | -169.8 | 178.4 | 4.4 | 115.6 | R37 | R35-R37 PolarHBondContact O-N 3.45Å; R35-R37 VanDerWaalsContact O-N 3.12Å | ||
| 36 | R | 41.8 | Very low | 50.8 | Low | 258 Ų | 258 | 152.2 Ų | 152.2 | 97% | 0.974 | 74% | 0.739 | S | S | * | * | trans | -86.3 | 66.4 | 162.4 | -73.3 | -170.2 | 177 | -173 | -0.7 | 109.7 | ||||
| 37 | R | 41.2 | Very low | 50.2 | Low | 220 Ų | 220 | 151.4 Ų | 151.4 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | -92.9 | 101.4 | 166.9 | -160.4 | 178.5 | -162 | -169.6 | 4.7 | 107 | R35 S39 | R35-R37 PolarHBondContact O-N 3.45Å; R35-R37 VanDerWaalsContact O-N 3.12Å; R37-S39 PolarHBondContact O-N 2.96Å; R37-S39 VanDerWaalsContact O-N 3.17Å | ||
| 38 | D | 39 | Very low | 49.1 | Very low | 136 Ų | 136 | 158.5 Ų | 158.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 31.9 | 70.8 | 147.5 | -60.2 | -50.4 | 0 | 0 | 0 | 117.7 | R40 | D38-R40 PolarHBondContact O-N 3.43Å; D38-R40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | S | 44.2 | Very low | 47.9 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -80.4 | 73.3 | 150.9 | -52.3 | 0 | 0 | 0 | 0 | 108 | R37 | R37-S39 PolarHBondContact O-N 2.96Å; R37-S39 VanDerWaalsContact O-N 3.17Å | ||
| 40 | R | 48.3 | Very low | 47.2 | Very low | 215 Ų | 215 | 157.3 Ų | 157.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -60 | 129.3 | 160.5 | -82.7 | 179.4 | 168.9 | -172.1 | -3.3 | 107.4 | D38 S42 | D38-R40 PolarHBondContact O-N 3.43Å; D38-R40 VanDerWaalsContact O-N 3.12Å; R40-S42 PolarHBondContact O-N 2.76Å | ||
| 41 | P | 45.6 | Very low | 46.1 | Very low | 120 Ų | 120 | 159.2 Ų | 159.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -72.2 | 103.5 | 168.9 | 28.8 | -28.5 | 0 | 0 | 0 | 107.7 | K43 | P41-K43 VanDerWaalsContact C-N 3.32Å; P41-K43 PolarHBondContact O-N 3Å | ||
| 42 | S | 48.2 | Very low | 45.7 | Very low | 102 Ų | 102 | 161.2 Ų | 161.2 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -71.6 | 92.9 | 164.9 | 64.3 | 0 | 0 | 0 | 0 | 108.1 | R40 H44 | R40-S42 PolarHBondContact O-N 2.76Å; S42-H44 PolarHBondContact O-N 3.37Å; S42-H44 VanDerWaalsContact O-N 3.07Å | ||
| 43 | K | 43.1 | Very low | 45.6 | Very low | 201 Ų | 201 | 161.8 Ų | 161.8 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -68.8 | 96.6 | 162 | -83.1 | -178.2 | 172.7 | -178.9 | 0 | 107.8 | P41 | P41-K43 VanDerWaalsContact C-N 3.32Å; P41-K43 PolarHBondContact O-N 3Å | ||
| 44 | H | 48.4 | Very low | 45.5 | Very low | 165 Ų | 165 | 161.6 Ų | 161.6 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | trans | -97.2 | 117.7 | 161.1 | -86.2 | -34 | 0 | 0 | 0 | 109.5 | S42 | S42-H44 PolarHBondContact O-N 3.37Å; S42-H44 VanDerWaalsContact O-N 3.07Å | ||
| 45 | S | 46 | Very low | 45.4 | Very low | 104 Ų | 104 | 156.2 Ų | 156.2 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | 37.8 | 107.5 | 141.4 | 61.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 46 | S | 49.6 | Very low | 45.4 | Very low | 113 Ų | 113 | 155.2 Ų | 155.2 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | -178 | 143.1 | 122.4 | 42.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 47 | S | 51 | Low | 45.7 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 63.3 | 96.2 | 170.7 | 64.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 48 | R | 42.9 | Very low | 46.3 | Very low | 250 Ų | 250 | 144.5 Ų | 144.5 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | 69.1 | 88.9 | 75.5 | -162 | -178.6 | -168.9 | 178.4 | 3 | 113.1 | |||||
| 49 | S | 47.9 | Very low | 46.8 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -168 | 108.2 | 149.3 | 30.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 50 | V | 50.9 | Low | 47.4 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 52.2 | 94.1 | 135.3 | -161.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 51 | K | 41.4 | Very low | 48 | Very low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | 34 | 109.9 | 115.7 | -151.4 | 178.8 | -166.6 | -179.6 | 0 | 119.4 | |||||
| 52 | A | 45.9 | Very low | 48.9 | Very low | 88 Ų | 88 | 143.3 Ų | 143.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -178.1 | 104.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 53 | Q | 50.9 | Low | 49.8 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | 69.8 | 114.4 | 95.7 | -77.1 | -174.1 | -12.2 | 0 | 0 | 115.6 | |||||
| 54 | S | 44.4 | Very low | 50.9 | Low | 133 Ų | 133 | 149 Ų | 149 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | 72.3 | 118.2 | 139.7 | -151.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 55 | G | 42 | Very low | 52.3 | Low | 70 Ų | 70 | 150.5 Ų | 150.5 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 168 | 68.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G57 | G55-G57 PolarHBondContact O-N 2.9Š| ||
| 56 | K | 40.9 | Very low | 54 | Low | 221 Ų | 221 | 157.1 Ų | 157.1 | 96% | 0.961 | 83% | 0.826 | S | S | * | * | trans | -66.4 | 83.6 | 162.8 | -82.5 | 179.5 | 173.9 | 177 | 0 | 108.1 | ||||
| 57 | G | 49 | Very low | 55.7 | Low | 62 Ų | 62 | 163 Ų | 163 | 64% | 0.639 | 83% | 0.831 | S | S | * | * | trans | -80.2 | 121.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G55 M59 | G55-G57 PolarHBondContact O-N 2.9Å; G57-M59 PolarHBondContact O-N 3.45Å | ||
| 58 | Q | 53.5 | Low | 57.5 | Low | 191 Ų | 191 | 169.4 Ų | 169.4 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -50.2 | 112.1 | 169.2 | -78.4 | 159.6 | -17.9 | 0 | 0 | 109.4 | T60 | Q58-T60 VanDerWaalsContact C-N 3.33Å; Q58-T60 PolarHBondContact O-N 2.96Å | ||
| 59 | M | 49.3 | Very low | 59.8 | Low | 181 Ų | 181 | 163.2 Ų | 163.2 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 94.7 | 170.1 | -74.7 | -170.9 | 58.9 | 0 | 0 | 107.9 | G57 L61 | G57-M59 PolarHBondContact O-N 3.45Å; M59-L61 PolarHBondContact O-N 3.35Å | ||
| 60 | T | 56.4 | Low | 61.9 | Low | 111 Ų | 111 | 168 Ų | 168 | 68% | 0.681 | 82% | 0.817 | S | S | * | * | trans | -52.2 | 128.9 | 162.1 | 50.1 | 0 | 0 | 0 | 0 | 107.6 | Q58 T62 | Q58-T60 VanDerWaalsContact C-N 3.33Å; Q58-T60 PolarHBondContact O-N 2.96Å; T60-T62 PolarHBondContact O-N 3.29Å | ||
| 61 | L | 61.9 | Low | 63.9 | Low | 172 Ų | 172 | 167.7 Ų | 167.7 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -67.9 | 78.9 | 179.5 | -144.5 | 89.5 | 0 | 0 | 0 | 107.4 | M59 E63 | M59-L61 PolarHBondContact O-N 3.35Å; L61-E63 PolarHBondContact O-N 2.83Å | ||
| 62 | T | 63.8 | Low | 66.4 | Low | 105 Ų | 105 | 160.1 Ų | 160.1 | 64% | 0.644 | 80% | 0.797 | S | S | * | * | trans | -57.2 | 111.4 | 174.1 | 55.7 | 0 | 0 | 0 | 0 | 106.1 | T60 R64 | T60-T62 PolarHBondContact O-N 3.29Å; T62-R64 VanDerWaalsContact C-N 3.34Å; T62-R64 PolarHBondContact O-N 3.44Å | ||
| 63 | E | 66.8 | Low | 68.8 | Low | 191 Ų | 191 | 158.8 Ų | 158.8 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -51.8 | 102.8 | 173.9 | -74.8 | -175.4 | 165.2 | 0 | 0 | 107.6 | L61 K65 | L61-E63 PolarHBondContact O-N 2.83Å; E63-K65 PolarHBondContact O-N 3.39Å | ||
| 64 | R | 67.2 | Low | 70.9 | Confident | 232 Ų | 232 | 153.5 Ų | 153.5 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | trans | -61.8 | 109 | -178.5 | -73.5 | -178.9 | 175 | 177.4 | -0.4 | 106.4 | T62 R66 | T62-R64 VanDerWaalsContact C-N 3.34Å; T62-R64 PolarHBondContact O-N 3.44Å; R64-R66 PolarHBondContact O-N 2.99Å | ||
| 65 | K | 76.8 | Confident | 73.3 | Confident | 196 Ų | 196 | 149.5 Ų | 149.5 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | trans | -42 | 116.2 | 176.1 | -173.6 | 173.1 | -175.2 | 172.8 | 0 | 108.9 | E63 R67 | E63-K65 PolarHBondContact O-N 3.39Å; K65-R67 PolarHBondContact O-N 3.2Å | ||
| 66 | R | 80.8 | Confident | 75.9 | Confident | 242 Ų | 242 | 149.8 Ų | 149.8 | 91% | 0.913 | 72% | 0.717 | S | S | * | * | trans | -54.5 | 113.4 | -179.1 | -69.7 | -175.5 | 179.7 | -171.5 | 0.8 | 108.1 | R64 R68 | R64-R66 PolarHBondContact O-N 2.99Å; R66-R68 PolarHBondContact O-N 3.37Å | ||
| 67 | R | 85.3 | Confident | 78.5 | Confident | 238 Ų | 238 | 145.6 Ų | 145.6 | 90% | 0.898 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.3 | -178.3 | -70.2 | -175.7 | 175.8 | -178.7 | -1.4 | 108.7 | K65 | K65-R67 PolarHBondContact O-N 3.2Š|
| 68 | R | 89.8 | Confident | 80.8 | Confident | 244 Ų | 244 | 147.5 Ų | 147.5 | 92% | 0.921 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 130.8 | 171.9 | -170.3 | 177.5 | 179.5 | 178.9 | 0.8 | 109.1 | R66 | R66-R68 PolarHBondContact O-N 3.37Š|
| 69 | Y | 90.3 | Very high | 82.8 | Confident | 120 Ų | 120 | 142.3 Ų | 142.3 | 47% | 0.471 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 148.9 | 170.7 | -68.6 | -76.2 | 0 | 0 | 0 | 110.6 | T73 L74 | Y69-T73 HydrophobicContact CD1-CG2 4.04Å; Y69-L74 HydrophobicContact CD1-CD2 4.47Å; Y69-L74 HydrophobicContact CD2-CD1 4.01Å; Y69-L74 HydrophobicContact CD2-CD2 3.56Å; Y69-L74 HydrophobicContact CD2-CG 3.91Å; Y69-L74 HydrophobicContact CE2-CD2 3.87Å; Y69-L74 HydrophobicContact CG-CD1 4.48Å; Y69-L74 HydrophobicContact CG-CD2 3.88Å; Y69-L74 HydrophobicContact CG-CG 4.02Å |
| 70 | R | 92.3 | Very high | 85.1 | Confident | 208 Ų | 208 | 140.8 Ų | 140.8 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 147.1 | 171.7 | -68.4 | -176.4 | 171.5 | -158.9 | -4.5 | 109.5 | G72 T73 | R70-G72 PolarHBondContact O-N 3.1Å; R70-T73 VanDerWaalsContact O-CB 3.31Å; R70-T73 WeakPolarHBondContact O-CB 3.44Å; R70-T73 PolarHBondContact O-N 3.2Å; R70-T73 VanDerWaalsContact O-N 3.09Å; R70-T73 PolarHBondContact O-OG1 2.93Å |
| 71 | P | 93 | Very high | 87 | Confident | 132 Ų | 132 | 140.6 Ų | 140.6 | 86% | 0.857 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 141.2 | 173.4 | 25.4 | -34 | 0 | 0 | 0 | 109.8 | T73 | P71-T73 VanDerWaalsContact C-N 3.27Å; P71-T73 PolarHBondContact O-N 3.14Å |
| 72 | G | 94 | Very high | 88.6 | Confident | 41 Ų | 41 | 136.8 Ų | 136.8 | 42% | 0.423 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 84.1 | -26 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R70 L74 A75 L76 | R70-G72 PolarHBondContact O-N 3.1Å; G72-L74 PolarHBondContact O-N 3.25Å; G72-A75 PolarHBondContact O-N 2.9Å; G72-L76 WeakPolarHBondContact O-CG 3.47Å; G72-L76 PolarHBondContact O-N 3.45Å |
| 73 | T | 95.8 | Very high | 90.1 | Very high | 60 Ų | 60 | 139 Ų | 139 | 37% | 0.368 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.5 | -42.5 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | Y69 R70 P71 R77 | Y69-T73 HydrophobicContact CD1-CG2 4.04Å; R70-T73 VanDerWaalsContact O-CB 3.31Å; R70-T73 WeakPolarHBondContact O-CB 3.44Å; R70-T73 PolarHBondContact O-N 3.2Å; R70-T73 VanDerWaalsContact O-N 3.09Å; R70-T73 PolarHBondContact O-OG1 2.93Å; P71-T73 VanDerWaalsContact C-N 3.27Å; P71-T73 PolarHBondContact O-N 3.14Å; T73-R77 PolarHBondContact O-N 3.31Å |
| 74 | L | 95.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 138.6 Ų | 138.6 | 39% | 0.387 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71 | -42.9 | 176.4 | -69.2 | 179.4 | 0 | 0 | 0 | 111.4 | Y69 G72 L76 R77 E78 | Y69-L74 HydrophobicContact CD1-CD2 4.47Å; Y69-L74 HydrophobicContact CD2-CD1 4.01Å; Y69-L74 HydrophobicContact CD2-CD2 3.56Å; Y69-L74 HydrophobicContact CD2-CG 3.91Å; Y69-L74 HydrophobicContact CE2-CD2 3.87Å; Y69-L74 HydrophobicContact CG-CD1 4.48Å; Y69-L74 HydrophobicContact CG-CD2 3.88Å; Y69-L74 HydrophobicContact CG-CG 4.02Å; G72-L74 PolarHBondContact O-N 3.25Å; L74-L76 PolarHBondContact O-N 2.98Å; L74-R77 WeakPolarHBondContact O-CA 3.27Å; L74-R77 WeakPolarHBondContact O-CB 3.47Å; L74-R77 PolarHBondContact O-N 3.05Å; L74-E78 WeakPolarHBondContact O-CG 3.5Å; L74-E78 PolarHBondContact O-N 3.36Å |
| 75 | A | 95.6 | Very high | 92.8 | Very high | 48 Ų | 48 | 129.2 Ų | 129.2 | 40% | 0.397 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.9 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G72 R77 E78 I79 | G72-A75 PolarHBondContact O-N 2.9Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3.21Å; A75-E78 PolarHBondContact O-N 3.45Å; A75-I79 WeakPolarHBondContact O-CD1 3.27Å; A75-I79 VanDerWaalsContact O-CG1 3.24Å; A75-I79 WeakPolarHBondContact O-CG1 3.19Å; A75-I79 PolarHBondContact O-N 3.33Å |
| 76 | L | 96.1 | Very high | 93.6 | Very high | 76 Ų | 76 | 127 Ų | 127 | 40% | 0.398 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65 | -32.2 | 176.1 | -70.9 | 174.8 | 0 | 0 | 0 | 112.8 | G72 L74 R80 | G72-L76 WeakPolarHBondContact O-CG 3.47Å; G72-L76 PolarHBondContact O-N 3.45Å; L74-L76 PolarHBondContact O-N 2.98Å; L76-R80 WeakPolarHBondContact O-CB 3.43Å; L76-R80 WeakPolarHBondContact O-CD 3.41Å; L76-R80 WeakPolarHBondContact O-CG 3.46Å; L76-R80 PolarHBondContact O-N 2.77Å |
| 77 | R | 96.4 | Very high | 94.2 | Very high | 134 Ų | 134 | 121.6 Ų | 121.6 | 51% | 0.506 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68 | -44.9 | 174.6 | -177.5 | -174.7 | -66.3 | -174.6 | -2.5 | 110.8 | T73 L74 A75 R80 L81 | T73-R77 PolarHBondContact O-N 3.31Å; L74-R77 WeakPolarHBondContact O-CA 3.27Å; L74-R77 WeakPolarHBondContact O-CB 3.47Å; L74-R77 PolarHBondContact O-N 3.05Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3.21Å; R77-R80 PolarHBondContact O-N 3Å; R77-L81 WeakPolarHBondContact O-CB 3.42Å; R77-L81 PolarHBondContact O-N 3.34Å |
| 78 | E | 96.4 | Very high | 94.7 | Very high | 101 Ų | 101 | 113 Ų | 113 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -46.3 | 177.9 | -73.1 | 165.4 | -163.4 | 0 | 0 | 111.4 | L74 A75 R80 L81 F82 | L74-E78 WeakPolarHBondContact O-CG 3.5Å; L74-E78 PolarHBondContact O-N 3.36Å; A75-E78 PolarHBondContact O-N 3.45Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 3.42Å; E78-L81 WeakPolarHBondContact O-CB 3.28Å; E78-L81 PolarHBondContact O-N 3Å; E78-F82 HydrophobicContact CB-CD2 4.25Å; E78-F82 HydrophobicContact CB-CE2 3.98Å; E78-F82 HydrophobicContact CG-CE2 4.45Å; E78-F82 WeakPolarHBondContact O-CD2 3.27Å; E78-F82 PolarHBondContact O-N 3.44Å |
| 79 | I | 96 | Very high | 95 | Very high | 83 Ų | 83 | 106 Ų | 106 | 43% | 0.426 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -55.3 | -49 | 175.6 | -68.9 | 163.1 | 0 | 0 | 0 | 110.6 | A75 L81 F82 Q83 | A75-I79 WeakPolarHBondContact O-CD1 3.27Å; A75-I79 VanDerWaalsContact O-CG1 3.24Å; A75-I79 WeakPolarHBondContact O-CG1 3.19Å; A75-I79 PolarHBondContact O-N 3.33Å; I79-L81 VanDerWaalsContact C-N 3.28Å; I79-L81 PolarHBondContact O-N 2.9Å; I79-F82 PolarHBondContact O-N 3.28Å; I79-Q83 HydrophobicContact CG2-CG 4.35Å; I79-Q83 VanDerWaalsContact O-CB 3.31Å; I79-Q83 WeakPolarHBondContact O-CB 3.47Å; I79-Q83 VanDerWaalsContact O-CG 3.24Å; I79-Q83 WeakPolarHBondContact O-CG 3.4Å; I79-Q83 PolarHBondContact O-N 3Å |
| 80 | R | 96.6 | Very high | 95.2 | Very high | 148 Ų | 148 | 103.9 Ų | 103.9 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -28.9 | 178.5 | -70.1 | 169.5 | -172.9 | 166.1 | 2.3 | 113.3 | L76 R77 E78 K84 | L76-R80 WeakPolarHBondContact O-CB 3.43Å; L76-R80 WeakPolarHBondContact O-CD 3.41Å; L76-R80 WeakPolarHBondContact O-CG 3.46Å; L76-R80 PolarHBondContact O-N 2.77Å; R77-R80 PolarHBondContact O-N 3Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 3.42Å; R80-K84 VanDerWaalsContact O-CG 3.28Å; R80-K84 WeakPolarHBondContact O-CG 3.43Å |
| 81 | L | 96.4 | Very high | 95.4 | Very high | 107 Ų | 107 | 103.9 Ų | 103.9 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.8 | -53.4 | 176.7 | 177.8 | 65.2 | 0 | 0 | 0 | 109.9 | R77 E78 I79 Q83 K84 G85 | R77-L81 WeakPolarHBondContact O-CB 3.42Å; R77-L81 PolarHBondContact O-N 3.34Å; E78-L81 WeakPolarHBondContact O-CB 3.28Å; E78-L81 PolarHBondContact O-N 3Å; I79-L81 VanDerWaalsContact C-N 3.28Å; I79-L81 PolarHBondContact O-N 2.9Å; L81-Q83 PolarHBondContact O-N 3.4Å; L81-K84 PolarHBondContact O-N 3.26Å; L81-G85 PolarHBondContact O-N 2.91Å |
| 82 | F | 96.4 | Very high | 95.5 | Very high | 92 Ų | 92 | 103.3 Ų | 103.3 | 40% | 0.404 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.3 | -29.8 | -175.9 | -63.5 | -52.2 | 0 | 0 | 0 | 113.3 | E78 I79 K84 G85 L89 | E78-F82 HydrophobicContact CB-CD2 4.25Å; E78-F82 HydrophobicContact CB-CE2 3.98Å; E78-F82 HydrophobicContact CG-CE2 4.45Å; E78-F82 WeakPolarHBondContact O-CD2 3.27Å; E78-F82 PolarHBondContact O-N 3.44Å; I79-F82 PolarHBondContact O-N 3.28Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 PolarHBondContact O-N 3.24Å; F82-G85 PolarHBondContact O-N 2.95Å; F82-L89 HydrophobicContact CD1-CD2 3.61Å; F82-L89 HydrophobicContact CE1-CD2 3.75Å; F82-L89 HydrophobicContact CG-CD2 4.4Å |
| 83 | Q | 95.7 | Very high | 95.6 | Very high | 152 Ų | 152 | 103.7 Ų | 103.7 | 71% | 0.71 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24 | 173.5 | -75.6 | 179.3 | -21.5 | 0 | 0 | 113.9 | I79 L81 | I79-Q83 HydrophobicContact CG2-CG 4.35Å; I79-Q83 VanDerWaalsContact O-CB 3.31Å; I79-Q83 WeakPolarHBondContact O-CB 3.47Å; I79-Q83 VanDerWaalsContact O-CG 3.24Å; I79-Q83 WeakPolarHBondContact O-CG 3.4Å; I79-Q83 PolarHBondContact O-N 3Å; L81-Q83 PolarHBondContact O-N 3.4Å |
| 84 | K | 96.4 | Very high | 95.6 | Very high | 183 Ų | 183 | 103.7 Ų | 103.7 | 80% | 0.796 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -25.8 | 176.5 | -73.3 | 179.9 | -174.5 | -168.5 | 0 | 112.7 | R80 L81 F82 | R80-K84 VanDerWaalsContact O-CG 3.28Å; R80-K84 WeakPolarHBondContact O-CG 3.43Å; L81-K84 PolarHBondContact O-N 3.26Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 PolarHBondContact O-N 3.24Å |
| 85 | G | 93.6 | Very high | 95.7 | Very high | 35 Ų | 35 | 101.5 Ų | 101.5 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | trans | -92 | 170.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L81 F82 | L81-G85 PolarHBondContact O-N 2.91Å; F82-G85 PolarHBondContact O-N 2.95Å | ||
| 86 | T | 94 | Very high | 95.7 | Very high | 148 Ų | 148 | 102.1 Ų | 102.1 | 91% | 0.908 | 49% | 0.493 | S | S | * | . | trans | -132.8 | 24.7 | 172.6 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 87 | E | 94.3 | Very high | 95.7 | Very high | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | trans | -75.2 | 147.1 | -180 | 64.2 | -175.9 | 171.2 | 0 | 0 | 111.1 | L89 | E87-L89 HydrophobicContact CG-CD2 4.23Å; E87-L89 PolarHBondContact O-N 3.12Å | ||
| 88 | L | 95 | Very high | 95.7 | Very high | 56 Ų | 56 | 105.2 Ų | 105.2 | 29% | 0.293 | 51% | 0.505 | S | S | . | . | trans | -72.2 | 126 | 174.6 | -64.1 | 174.7 | 0 | 0 | 0 | 109.6 | Q122 E126 | L88-Q122 HydrophobicContact CD1-CG 4.18Å; L88-Q122 HydrophobicContact CD2-CG 4.43Å; L88-E126 VanDerWaalsContact CA-OE2 3.29Å; L88-E126 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 89 | L | 95.7 | Very high | 95.6 | Very high | 98 Ų | 98 | 101.3 Ų | 101.3 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | trans | -88.7 | -26.2 | -173.7 | -58.6 | -179 | 0 | 0 | 0 | 112.5 | F82 E87 E126 | F82-L89 HydrophobicContact CD1-CD2 3.61Å; F82-L89 HydrophobicContact CE1-CD2 3.75Å; F82-L89 HydrophobicContact CG-CD2 4.4Å; E87-L89 HydrophobicContact CG-CD2 4.23Å; E87-L89 PolarHBondContact O-N 3.12Å; L89-E126 PolarHBondContact N-OE1 3.16Å; L89-E126 PolarHBondContact N-OE2 2.87Å | ||
| 90 | L | 95.5 | Very high | 95.5 | Very high | 75 Ų | 75 | 102.8 Ų | 102.8 | 39% | 0.393 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -80.3 | 137.5 | 177.8 | -59.7 | 176.4 | 0 | 0 | 0 | 110.7 | R92 F95 Q122 E126 | L90-R92 PolarHBondContact O-N 3.38Å; L90-F95 HydrophobicContact CD1-CD2 4.09Å; L90-Q122 PolarHBondContact O-NE2 3.05Å; L90-E126 VanDerWaalsContact CB-OE1 3.27Å; L90-E126 WeakPolarHBondContact CB-OE1 3.29Å; L90-E126 HydrophobicContact CD1-CG 3.76Å; L90-E126 HydrophobicContact CG-CG 3.93Å; L90-E126 PolarHBondContact N-OE1 3.4Å |
| 91 | R | 96.6 | Very high | 95.4 | Very high | 208 Ų | 208 | 98.7 Ų | 98.7 | 79% | 0.785 | 48% | 0.477 | S | S | * | . | trans | -63 | 127.2 | 173.6 | -66.8 | -178.2 | -177.7 | -172.7 | 0.9 | 109.5 | A93 P94 F95 | R91-A93 PolarHBondContact O-N 3.22Å; R91-P94 HydrophobicContact CB-CG 3.56Å; R91-P94 WeakPolarHBondContact O-CD 3.24Å; R91-P94 VanDerWaalsContact O-CG 3.27Å; R91-P94 WeakPolarHBondContact O-CG 3.32Å; R91-F95 PolarHBondContact O-N 3.35Å | ||
| 92 | R | 94.2 | Very high | 95.3 | Very high | 121 Ų | 121 | 97.7 Ų | 97.7 | 46% | 0.457 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57 | -45.7 | -176.4 | -63.2 | -179.6 | 176.2 | -141.7 | -5.9 | 113.3 | L90 F95 Q96 E119 | L90-R92 PolarHBondContact O-N 3.38Å; R92-F95 PolarHBondContact O-N 3.47Å; R92-Q96 WeakPolarHBondContact O-CB 3.33Å; R92-Q96 WeakPolarHBondContact O-CG 3.33Å; R92-Q96 PolarHBondContact O-N 2.97Å; R92-E119 IonicContact CZ-OE1 3.63Å; R92-E119 IonicContact NH1-OE1 2.76Å; R92-E119 PolarHBondContact NH1-OE1 2.89Å; R92-E119 IonicContact NH2-OE1 3.8Å |
| 93 | A | 95.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 93.8 Ų | 93.8 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.6 | -52.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R91 Q96 R97 | R91-A93 PolarHBondContact O-N 3.22Å; A93-Q96 PolarHBondContact O-N 3.05Å; A93-R97 WeakPolarHBondContact O-CG 3.35Å; A93-R97 PolarHBondContact O-N 3.4Å; A93-R97 VanDerWaalsContact O-N 3.14Å |
| 94 | P | 97.2 | Very high | 95 | Very high | 60 Ų | 60 | 92 Ų | 92 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.1 | 23.9 | -33.2 | 0 | 0 | 0 | 112.8 | R91 Q96 R97 I98 | R91-P94 HydrophobicContact CB-CG 3.56Å; R91-P94 WeakPolarHBondContact O-CD 3.24Å; R91-P94 VanDerWaalsContact O-CG 3.27Å; R91-P94 WeakPolarHBondContact O-CG 3.32Å; P94-Q96 VanDerWaalsContact C-N 3.34Å; P94-Q96 PolarHBondContact O-N 3.01Å; P94-R97 PolarHBondContact O-N 2.93Å; P94-I98 WeakPolarHBondContact O-CG1 3.31Å; P94-I98 PolarHBondContact O-N 3.03Å; P94-I98 VanDerWaalsContact O-N 3.1Å |
| 95 | F | 97.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 92.3 Ų | 92.3 | 12% | 0.123 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.5 | -176.7 | -95.2 | 0 | 0 | 0 | 111.5 | L90 R91 R92 R97 I98 V99 L121 Q122 A125 | L90-F95 HydrophobicContact CD1-CD2 4.09Å; R91-F95 PolarHBondContact O-N 3.35Å; R92-F95 PolarHBondContact O-N 3.47Å; F95-R97 VanDerWaalsContact C-N 3.32Å; F95-R97 PolarHBondContact O-N 3.42Å; F95-I98 PolarHBondContact O-N 3.28Å; F95-V99 HydrophobicContact CD1-CG2 3.98Å; F95-V99 HydrophobicContact CE1-CG2 3.53Å; F95-V99 HydrophobicContact CZ-CG2 3.85Å; F95-V99 WeakPolarHBondContact O-CG2 3.31Å; F95-V99 PolarHBondContact O-N 3.32Å; F95-L121 HydrophobicContact CE1-CB 4.22Å; F95-L121 HydrophobicContact CZ-CB 4.37Å; F95-Q122 HydrophobicContact CD1-CB 3.74Å; F95-Q122 HydrophobicContact CD1-CG 3.95Å; F95-Q122 HydrophobicContact CD2-CG 4.41Å; F95-Q122 HydrophobicContact CE1-CB 3.47Å; F95-Q122 VanDerWaalsContact CE1-CB 3.47Å; F95-Q122 HydrophobicContact CE1-CG 4.06Å; F95-Q122 HydrophobicContact CE2-CG 4.5Å; F95-Q122 HydrophobicContact CG-CB 4.42Å; F95-Q122 HydrophobicContact CG-CG 4.15Å; F95-Q122 HydrophobicContact CZ-CB 3.95Å; F95-Q122 HydrophobicContact CZ-CG 4.35Å; F95-A125 HydrophobicContact CE2-CB 3.85Å; F95-A125 HydrophobicContact CZ-CB 3.99Å |
| 96 | Q | 94.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 96.6 Ų | 96.6 | 29% | 0.29 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 176.6 | -72.1 | 176.5 | -3 | 0 | 0 | 113.1 | R92 A93 P94 V99 R100 L118 | R92-Q96 WeakPolarHBondContact O-CB 3.33Å; R92-Q96 WeakPolarHBondContact O-CG 3.33Å; R92-Q96 PolarHBondContact O-N 2.97Å; A93-Q96 PolarHBondContact O-N 3.05Å; P94-Q96 VanDerWaalsContact C-N 3.34Å; P94-Q96 PolarHBondContact O-N 3.01Å; Q96-V99 PolarHBondContact O-N 3.23Å; Q96-R100 WeakPolarHBondContact O-CG 3.21Å; Q96-R100 PolarHBondContact O-N 3.27Å; Q96-R100 VanDerWaalsContact O-N 3.11Å; Q96-L118 HydrophobicContact CG-CB 4.42Å; Q96-L118 HydrophobicContact CG-CD1 4.03Å; Q96-L118 HydrophobicContact CG-CD2 4.38Å |
| 97 | R | 95.4 | Very high | 94.5 | Very high | 178 Ų | 178 | 92.4 Ų | 92.4 | 67% | 0.672 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 175 | -69.5 | -176.5 | -130.3 | -84.6 | 3.3 | 111.2 | A93 P94 F95 R100 D101 | A93-R97 WeakPolarHBondContact O-CG 3.35Å; A93-R97 PolarHBondContact O-N 3.4Å; A93-R97 VanDerWaalsContact O-N 3.14Å; P94-R97 PolarHBondContact O-N 2.93Å; F95-R97 VanDerWaalsContact C-N 3.32Å; F95-R97 PolarHBondContact O-N 3.42Å; R97-R100 PolarHBondContact O-N 2.89Å; R97-D101 WeakPolarHBondContact O-CB 3.42Å; R97-D101 PolarHBondContact O-N 3.06Å |
| 98 | I | 96.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 92.5 Ų | 92.5 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 177.9 | -66.2 | 168.2 | 0 | 0 | 0 | 110.9 | P94 F95 R100 D101 I102 | P94-I98 WeakPolarHBondContact O-CG1 3.31Å; P94-I98 PolarHBondContact O-N 3.03Å; P94-I98 VanDerWaalsContact O-N 3.1Å; F95-I98 PolarHBondContact O-N 3.28Å; I98-R100 VanDerWaalsContact C-N 3.28Å; I98-R100 PolarHBondContact O-N 3.02Å; I98-D101 PolarHBondContact O-N 3.07Å; I98-I102 HydrophobicContact CG2-CD1 3.73Å; I98-I102 HydrophobicContact CG2-CG1 4.33Å; I98-I102 WeakPolarHBondContact O-CG1 3.45Å; I98-I102 PolarHBondContact O-N 2.96Å |
| 99 | V | 95 | Very high | 93 | Very high | 19 Ų | 19 | 96.8 Ų | 96.8 | 12% | 0.115 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | F95 Q96 A103 F113 L118 L121 | F95-V99 HydrophobicContact CD1-CG2 3.98Å; F95-V99 HydrophobicContact CE1-CG2 3.53Å; F95-V99 HydrophobicContact CZ-CG2 3.85Å; F95-V99 WeakPolarHBondContact O-CG2 3.31Å; F95-V99 PolarHBondContact O-N 3.32Å; Q96-V99 PolarHBondContact O-N 3.23Å; V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 3.31Å; V99-F113 HydrophobicContact CG1-CD1 4.5Å; V99-F113 HydrophobicContact CG1-CE1 3.91Å; V99-F113 HydrophobicContact CG1-CZ 3.93Å; V99-L118 HydrophobicContact CB-CD2 4.29Å; V99-L118 HydrophobicContact CG1-CD2 3.83Å; V99-L121 HydrophobicContact CG1-CD1 3.77Å |
| 100 | R | 93.7 | Very high | 92.4 | Very high | 115 Ų | 115 | 99.6 Ų | 99.6 | 43% | 0.434 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 177.6 | -69.2 | 176.5 | -171.8 | -77.5 | 1.1 | 112.4 | Q96 R97 I98 A103 Q104 F113 | Q96-R100 WeakPolarHBondContact O-CG 3.21Å; Q96-R100 PolarHBondContact O-N 3.27Å; Q96-R100 VanDerWaalsContact O-N 3.11Å; R97-R100 PolarHBondContact O-N 2.89Å; I98-R100 VanDerWaalsContact C-N 3.28Å; I98-R100 PolarHBondContact O-N 3.02Å; R100-A103 PolarHBondContact O-N 3.19Å; R100-Q104 WeakPolarHBondContact O-CB 3.11Å; R100-Q104 PolarHBondContact O-N 3.37Å; R100-F113 HydrophobicContact CG-CD2 4.36Å; R100-F113 HydrophobicContact CG-CE2 4.32Å |
| 101 | D | 94.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 99.9 Ų | 99.9 | 33% | 0.326 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 174 | 176.9 | 40.5 | 0 | 0 | 0 | 111.1 | R97 I98 A103 Q104 R105 | R97-D101 WeakPolarHBondContact O-CB 3.42Å; R97-D101 PolarHBondContact O-N 3.06Å; I98-D101 PolarHBondContact O-N 3.07Å; D101-A103 PolarHBondContact O-N 3.36Å; D101-Q104 WeakPolarHBondContact O-CB 3.38Å; D101-Q104 PolarHBondContact O-N 2.89Å; D101-R105 VanDerWaalsContact O-CG 3.32Å; D101-R105 WeakPolarHBondContact O-CG 3.4Å; D101-R105 PolarHBondContact O-N 3.04Å; D101-R105 IonicContact OD1-CZ 3.6Å; D101-R105 IonicContact OD1-NE 3.56Å; D101-R105 PolarHBondContact OD1-NE 3.12Å; D101-R105 IonicContact OD1-NH2 3.5Å; D101-R105 PolarHBondContact OD1-NH2 2.74Å; D101-R105 IonicContact OD2-CZ 3.02Å; D101-R105 VanDerWaalsContact OD2-CZ 3.24Å; D101-R105 IonicContact OD2-NE 2.88Å; D101-R105 PolarHBondContact OD2-NE 3.18Å; D101-R105 IonicContact OD2-NH2 3.7Å; D101-R105 PolarHBondContact OD2-NH2 3.48Å |
| 102 | I | 94.8 | Very high | 91.9 | Very high | 87 Ų | 87 | 101.2 Ų | 101.2 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.4 | -65.9 | 168.6 | 0 | 0 | 0 | 111 | I98 Q104 R105 L106 | I98-I102 HydrophobicContact CG2-CD1 3.73Å; I98-I102 HydrophobicContact CG2-CG1 4.33Å; I98-I102 WeakPolarHBondContact O-CG1 3.45Å; I98-I102 PolarHBondContact O-N 2.96Å; I102-Q104 VanDerWaalsContact C-N 3.3Å; I102-Q104 PolarHBondContact O-N 3.47Å; I102-R105 PolarHBondContact O-N 3.02Å; I102-L106 HydrophobicContact CG2-CD1 4.01Å; I102-L106 HydrophobicContact CG2-CG 4.43Å; I102-L106 VanDerWaalsContact O-CG 3.31Å; I102-L106 WeakPolarHBondContact O-CG 3.13Å; I102-L106 PolarHBondContact O-N 3.42Å |
| 103 | A | 93.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 97.7 Ų | 97.7 | 8% | 0.083 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V99 R100 D101 L106 K108 F113 | V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 3.31Å; R100-A103 PolarHBondContact O-N 3.19Å; D101-A103 PolarHBondContact O-N 3.36Å; A103-L106 PolarHBondContact O-N 3.26Å; A103-K108 PolarHBondContact O-N 2.93Å; A103-K108 VanDerWaalsContact O-N 3.12Å; A103-F113 HydrophobicContact CB-CE2 3.99Å; A103-F113 HydrophobicContact CB-CZ 3.76Å |
| 104 | Q | 93.2 | Very high | 91.8 | Very high | 113 Ų | 113 | 103.3 Ų | 103.3 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 174.9 | -173.2 | 177.1 | -0.1 | 0 | 0 | 111.4 | R100 D101 I102 L106 G107 Q109 | R100-Q104 WeakPolarHBondContact O-CB 3.11Å; R100-Q104 PolarHBondContact O-N 3.37Å; D101-Q104 WeakPolarHBondContact O-CB 3.38Å; D101-Q104 PolarHBondContact O-N 2.89Å; I102-Q104 VanDerWaalsContact C-N 3.3Å; I102-Q104 PolarHBondContact O-N 3.47Å; Q104-L106 VanDerWaalsContact C-N 3.25Å; Q104-L106 PolarHBondContact O-N 2.93Å; Q104-G107 PolarHBondContact O-N 3.37Å; Q104-Q109 HydrophobicContact CG-CG 4.36Å |
| 105 | R | 93.6 | Very high | 91.6 | Very high | 190 Ų | 190 | 108.5 Ų | 108.5 | 72% | 0.717 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -29.3 | 175.9 | -68.1 | 173.9 | -167.7 | -151.7 | 7 | 113.2 | D101 I102 G107 | D101-R105 VanDerWaalsContact O-CG 3.32Å; D101-R105 WeakPolarHBondContact O-CG 3.4Å; D101-R105 PolarHBondContact O-N 3.04Å; D101-R105 IonicContact OD1-CZ 3.6Å; D101-R105 IonicContact OD1-NE 3.56Å; D101-R105 PolarHBondContact OD1-NE 3.12Å; D101-R105 IonicContact OD1-NH2 3.5Å; D101-R105 PolarHBondContact OD1-NH2 2.74Å; D101-R105 IonicContact OD2-CZ 3.02Å; D101-R105 VanDerWaalsContact OD2-CZ 3.24Å; D101-R105 IonicContact OD2-NE 2.88Å; D101-R105 PolarHBondContact OD2-NE 3.18Å; D101-R105 IonicContact OD2-NH2 3.7Å; D101-R105 PolarHBondContact OD2-NH2 3.48Å; I102-R105 PolarHBondContact O-N 3.02Å; R105-G107 PolarHBondContact O-N 3.4Å |
| 106 | L | 92.9 | Very high | 91.5 | Very high | 125 Ų | 125 | 113.4 Ų | 113.4 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 7.7 | 174.2 | -67.4 | 173.5 | 0 | 0 | 0 | 113.6 | I102 A103 Q104 | I102-L106 HydrophobicContact CG2-CD1 4.01Å; I102-L106 HydrophobicContact CG2-CG 4.43Å; I102-L106 VanDerWaalsContact O-CG 3.31Å; I102-L106 WeakPolarHBondContact O-CG 3.13Å; I102-L106 PolarHBondContact O-N 3.42Å; A103-L106 PolarHBondContact O-N 3.26Å; Q104-L106 VanDerWaalsContact C-N 3.25Å; Q104-L106 PolarHBondContact O-N 2.93Å |
| 107 | G | 85.6 | Confident | 91.6 | Very high | 61 Ų | 61 | 112.4 Ų | 112.4 | 63% | 0.629 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 10.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q104 R105 | Q104-G107 PolarHBondContact O-N 3.37Å; R105-G107 PolarHBondContact O-N 3.4Å |
| 108 | K | 82.2 | Confident | 91.6 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | trans | -104.4 | 62.3 | -178.2 | -60.4 | -176.5 | -178.1 | 178.3 | 0 | 111.4 | A103 D110 L111 | A103-K108 PolarHBondContact O-N 2.93Å; A103-K108 VanDerWaalsContact O-N 3.12Å; K108-D110 VanDerWaalsContact C-N 3.29Å; K108-D110 PolarHBondContact O-N 3.19Å; K108-L111 HydrophobicContact CB-CB 4.21Å; K108-L111 HydrophobicContact CD-CD2 4.41Å; K108-L111 WeakPolarHBondContact O-CB 3.45Å; K108-L111 PolarHBondContact O-N 3.39Å | ||
| 109 | Q | 76.3 | Confident | 91.6 | Very high | 147 Ų | 147 | 101.7 Ų | 101.7 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -33.7 | -172.4 | -59.5 | -171.5 | -1.1 | 0 | 0 | 113.2 | Q104 L111 | Q104-Q109 HydrophobicContact CG-CG 4.36Å; Q109-L111 PolarHBondContact O-N 3.46Å |
| 110 | D | 83.2 | Confident | 91.7 | Very high | 157 Ų | 157 | 103.7 Ų | 103.7 | 84% | 0.84 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 13.4 | -176.1 | -60.6 | -43 | 0 | 0 | 0 | 114.5 | K108 R112 | K108-D110 VanDerWaalsContact C-N 3.29Å; K108-D110 PolarHBondContact O-N 3.19Å; D110-R112 PolarHBondContact O-N 3.38Å |
| 111 | L | 89 | Confident | 91.8 | Very high | 80 Ų | 80 | 102.2 Ų | 102.2 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | trans | -72.7 | 115.2 | -175 | -168.4 | 64.2 | 0 | 0 | 0 | 112 | K108 Q109 F113 | K108-L111 HydrophobicContact CB-CB 4.21Å; K108-L111 HydrophobicContact CD-CD2 4.41Å; K108-L111 WeakPolarHBondContact O-CB 3.45Å; K108-L111 PolarHBondContact O-N 3.39Å; Q109-L111 PolarHBondContact O-N 3.46Å; L111-F113 HydrophobicContact CB-CE2 4.37Å; L111-F113 HydrophobicContact CD2-CE1 4Å; L111-F113 HydrophobicContact CD2-CE2 3.98Å; L111-F113 HydrophobicContact CD2-CZ 3.55Å; L111-F113 HydrophobicContact CG-CE2 4.14Å; L111-F113 HydrophobicContact CG-CZ 4.18Å | ||
| 112 | R | 91.7 | Very high | 91.9 | Very high | 237 Ų | 237 | 99.4 Ų | 99.4 | 89% | 0.894 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 124.3 | 171.1 | -65.4 | -176.3 | 176.6 | -171.1 | -0.6 | 110.5 | D110 | D110-R112 PolarHBondContact O-N 3.38Š|
| 113 | F | 92.1 | Very high | 92 | Very high | 46 Ų | 46 | 98.8 Ų | 98.8 | 20% | 0.202 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 128.2 | 177.4 | -69.6 | -90.2 | 0 | 0 | 0 | 111.5 | V99 R100 A103 L111 L118 L121 | V99-F113 HydrophobicContact CG1-CD1 4.5Å; V99-F113 HydrophobicContact CG1-CE1 3.91Å; V99-F113 HydrophobicContact CG1-CZ 3.93Å; R100-F113 HydrophobicContact CG-CD2 4.36Å; R100-F113 HydrophobicContact CG-CE2 4.32Å; A103-F113 HydrophobicContact CB-CE2 3.99Å; A103-F113 HydrophobicContact CB-CZ 3.76Å; L111-F113 HydrophobicContact CB-CE2 4.37Å; L111-F113 HydrophobicContact CD2-CE1 4Å; L111-F113 HydrophobicContact CD2-CE2 3.98Å; L111-F113 HydrophobicContact CD2-CZ 3.55Å; L111-F113 HydrophobicContact CG-CE2 4.14Å; L111-F113 HydrophobicContact CG-CZ 4.18Å; F113-L118 HydrophobicContact CB-CD1 3.86Å; F113-L118 HydrophobicContact CB-CD2 3.95Å; F113-L118 HydrophobicContact CB-CG 3.79Å; F113-L118 HydrophobicContact CD1-CD2 3.92Å; F113-L118 HydrophobicContact CD1-CG 4.44Å; F113-L118 HydrophobicContact CG-CD2 3.92Å; F113-L118 HydrophobicContact CG-CG 4.31Å; F113-L121 HydrophobicContact CE1-CD1 4.35Å |
| 114 | K | 95.5 | Very high | 92.2 | Very high | 167 Ų | 167 | 100.3 Ų | 100.3 | 73% | 0.726 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 149.6 | 163.9 | -67.5 | -175.4 | 179 | -179.5 | 0 | 109.6 | I116 A117 L118 | K114-I116 VanDerWaalsContact C-N 3.32Å; K114-I116 PolarHBondContact O-N 3.28Å; K114-A117 HydrophobicContact CB-CB 4.29Å; K114-A117 WeakPolarHBondContact O-CB 3.45Å; K114-A117 PolarHBondContact O-N 3.1Å; K114-A117 VanDerWaalsContact O-N 3.16Å; K114-L118 PolarHBondContact O-N 2.99Å |
| 115 | R | 93.5 | Very high | 92.4 | Very high | 168 Ų | 168 | 96.5 Ų | 96.5 | 63% | 0.634 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.9 | -46.6 | 175.7 | 178.4 | -177.6 | 158.7 | -137.9 | -10.7 | 112.1 | A117 L118 E119 | R115-A117 VanDerWaalsContact C-N 3.27Å; R115-A117 PolarHBondContact O-N 2.94Å; R115-L118 PolarHBondContact O-N 3.02Å; R115-L118 VanDerWaalsContact O-N 3.16Å; R115-E119 IonicContact CZ-OE1 3.26Å; R115-E119 VanDerWaalsContact CZ-OE1 3.26Å; R115-E119 IonicContact NE-OE1 2.95Å; R115-E119 PolarHBondContact NE-OE1 2.88Å; R115-E119 IonicContact NE-OE2 3.97Å; R115-E119 IonicContact NH2-OE1 2.75Å; R115-E119 PolarHBondContact NH2-OE1 3.5Å; R115-E119 IonicContact NH2-OE2 3.64Å; R115-E119 PolarHBondContact O-N 2.78Å |
| 116 | I | 96 | Very high | 92.5 | Very high | 131 Ų | 131 | 88.4 Ų | 88.4 | 67% | 0.672 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.9 | -37.3 | -179.9 | -62.1 | 170.2 | 0 | 0 | 0 | 111.1 | K114 L118 E119 A120 | K114-I116 VanDerWaalsContact C-N 3.32Å; K114-I116 PolarHBondContact O-N 3.28Å; I116-L118 VanDerWaalsContact C-N 3.35Å; I116-L118 PolarHBondContact O-N 3.02Å; I116-E119 PolarHBondContact O-N 2.87Å; I116-A120 WeakPolarHBondContact O-CB 3.38Å; I116-A120 PolarHBondContact O-N 3.02Å |
| 117 | A | 95.9 | Very high | 92.7 | Very high | 42 Ų | 42 | 85.6 Ų | 85.6 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K114 R115 A120 L121 | K114-A117 HydrophobicContact CB-CB 4.29Å; K114-A117 WeakPolarHBondContact O-CB 3.45Å; K114-A117 PolarHBondContact O-N 3.1Å; K114-A117 VanDerWaalsContact O-N 3.16Å; R115-A117 VanDerWaalsContact C-N 3.27Å; R115-A117 PolarHBondContact O-N 2.94Å; A117-A120 PolarHBondContact O-N 3.21Å; A117-L121 WeakPolarHBondContact O-CG 3.39Å; A117-L121 PolarHBondContact O-N 2.97Å |
| 118 | L | 95.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 87.3 Ų | 87.3 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | 176.2 | -67.1 | 166.3 | 0 | 0 | 0 | 111.9 | Q96 V99 F113 K114 R115 I116 L121 Q122 | Q96-L118 HydrophobicContact CG-CB 4.42Å; Q96-L118 HydrophobicContact CG-CD1 4.03Å; Q96-L118 HydrophobicContact CG-CD2 4.38Å; V99-L118 HydrophobicContact CB-CD2 4.29Å; V99-L118 HydrophobicContact CG1-CD2 3.83Å; F113-L118 HydrophobicContact CB-CD1 3.86Å; F113-L118 HydrophobicContact CB-CD2 3.95Å; F113-L118 HydrophobicContact CB-CG 3.79Å; F113-L118 HydrophobicContact CD1-CD2 3.92Å; F113-L118 HydrophobicContact CD1-CG 4.44Å; F113-L118 HydrophobicContact CG-CD2 3.92Å; F113-L118 HydrophobicContact CG-CG 4.31Å; K114-L118 PolarHBondContact O-N 2.99Å; R115-L118 PolarHBondContact O-N 3.02Å; R115-L118 VanDerWaalsContact O-N 3.16Å; I116-L118 VanDerWaalsContact C-N 3.35Å; I116-L118 PolarHBondContact O-N 3.02Å; L118-L121 PolarHBondContact O-N 2.72Å; L118-Q122 WeakPolarHBondContact O-CB 3.31Å; L118-Q122 PolarHBondContact O-N 2.93Å |
| 119 | E | 95.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 85 Ų | 85 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 175.4 | -70.8 | 179.9 | 166.1 | 0 | 0 | 111.7 | R92 R115 I116 Q122 T123 | R92-E119 IonicContact CZ-OE1 3.63Å; R92-E119 IonicContact NH1-OE1 2.76Å; R92-E119 PolarHBondContact NH1-OE1 2.89Å; R92-E119 IonicContact NH2-OE1 3.8Å; R115-E119 IonicContact CZ-OE1 3.26Å; R115-E119 VanDerWaalsContact CZ-OE1 3.26Å; R115-E119 IonicContact NE-OE1 2.95Å; R115-E119 PolarHBondContact NE-OE1 2.88Å; R115-E119 IonicContact NE-OE2 3.97Å; R115-E119 IonicContact NH2-OE1 2.75Å; R115-E119 PolarHBondContact NH2-OE1 3.5Å; R115-E119 IonicContact NH2-OE2 3.64Å; R115-E119 PolarHBondContact O-N 2.78Å; I116-E119 PolarHBondContact O-N 2.87Å; E119-Q122 PolarHBondContact O-N 2.98Å; E119-T123 WeakPolarHBondContact O-CB 3.39Å; E119-T123 PolarHBondContact O-N 3.04Å; E119-T123 PolarHBondContact O-OG1 3.3Å |
| 120 | A | 96.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 81.7 Ų | 81.7 | 51% | 0.512 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I116 A117 Q122 T123 G124 | I116-A120 WeakPolarHBondContact O-CB 3.38Å; I116-A120 PolarHBondContact O-N 3.02Å; A117-A120 PolarHBondContact O-N 3.21Å; A120-Q122 VanDerWaalsContact C-N 3.31Å; A120-Q122 PolarHBondContact O-N 3.35Å; A120-T123 PolarHBondContact O-N 3.43Å; A120-G124 PolarHBondContact O-N 3.09Å |
| 121 | L | 96.5 | Very high | 95.4 | Very high | 83 Ų | 83 | 75 Ų | 75 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 174.3 | -73.5 | 173 | 0 | 0 | 0 | 111.8 | F95 V99 F113 A117 L118 A125 | F95-L121 HydrophobicContact CE1-CB 4.22Å; F95-L121 HydrophobicContact CZ-CB 4.37Å; V99-L121 HydrophobicContact CG1-CD1 3.77Å; F113-L121 HydrophobicContact CE1-CD1 4.35Å; A117-L121 WeakPolarHBondContact O-CG 3.39Å; A117-L121 PolarHBondContact O-N 2.97Å; L118-L121 PolarHBondContact O-N 2.72Å; L121-A125 VanDerWaalsContact O-CB 3.27Å; L121-A125 WeakPolarHBondContact O-CB 2.94Å; L121-A125 PolarHBondContact O-N 3.39Å |
| 122 | Q | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.009 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 177.7 | -171.1 | 173 | -15.5 | 0 | 0 | 111.7 | L88 L90 F95 L118 E119 A120 G124 A125 E126 | L88-Q122 HydrophobicContact CD1-CG 4.18Å; L88-Q122 HydrophobicContact CD2-CG 4.43Å; L90-Q122 PolarHBondContact O-NE2 3.05Å; F95-Q122 HydrophobicContact CD1-CB 3.74Å; F95-Q122 HydrophobicContact CD1-CG 3.95Å; F95-Q122 HydrophobicContact CD2-CG 4.41Å; F95-Q122 HydrophobicContact CE1-CB 3.47Å; F95-Q122 VanDerWaalsContact CE1-CB 3.47Å; F95-Q122 HydrophobicContact CE1-CG 4.06Å; F95-Q122 HydrophobicContact CE2-CG 4.5Å; F95-Q122 HydrophobicContact CG-CB 4.42Å; F95-Q122 HydrophobicContact CG-CG 4.15Å; F95-Q122 HydrophobicContact CZ-CB 3.95Å; F95-Q122 HydrophobicContact CZ-CG 4.35Å; L118-Q122 WeakPolarHBondContact O-CB 3.31Å; L118-Q122 PolarHBondContact O-N 2.93Å; E119-Q122 PolarHBondContact O-N 2.98Å; A120-Q122 VanDerWaalsContact C-N 3.31Å; A120-Q122 PolarHBondContact O-N 3.35Å; Q122-G124 VanDerWaalsContact C-N 3.34Å; Q122-G124 PolarHBondContact O-N 3.17Å; Q122-A125 PolarHBondContact O-N 3.12Å; Q122-E126 HydrophobicContact CG-CG 4.47Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.48Å; Q122-E126 PolarHBondContact NE2-OE1 2.89Å; Q122-E126 WeakPolarHBondContact O-CG 3.46Å; Q122-E126 PolarHBondContact O-N 3.26Å |
| 123 | T | 96.8 | Very high | 96 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 178.9 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | E119 A120 A127 | E119-T123 WeakPolarHBondContact O-CB 3.39Å; E119-T123 PolarHBondContact O-N 3.04Å; E119-T123 PolarHBondContact O-OG1 3.3Å; A120-T123 PolarHBondContact O-N 3.43Å; T123-A127 VanDerWaalsContact O-CB 3.3Å; T123-A127 WeakPolarHBondContact O-CB 3.49Å; T123-A127 PolarHBondContact O-N 3.3Å |
| 124 | G | 96.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 67.6 Ų | 67.6 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A120 Q122 Y128 | A120-G124 PolarHBondContact O-N 3.09Å; Q122-G124 VanDerWaalsContact C-N 3.34Å; Q122-G124 PolarHBondContact O-N 3.17Å; G124-Y128 WeakPolarHBondContact O-CB 3.24Å; G124-Y128 PolarHBondContact O-N 2.92Å |
| 125 | A | 97.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F95 L121 Q122 Y128 L129 | F95-A125 HydrophobicContact CE2-CB 3.85Å; F95-A125 HydrophobicContact CZ-CB 3.99Å; L121-A125 VanDerWaalsContact O-CB 3.27Å; L121-A125 WeakPolarHBondContact O-CB 2.94Å; L121-A125 PolarHBondContact O-N 3.39Å; Q122-A125 PolarHBondContact O-N 3.12Å; A125-Y128 PolarHBondContact O-N 2.94Å; A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 2.93Å |
| 126 | E | 97 | Very high | 96.5 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 177.7 | -70.8 | -171.8 | -151.9 | 0 | 0 | 111.7 | L88 L89 L90 Q122 Y128 L129 V130 | L88-E126 VanDerWaalsContact CA-OE2 3.29Å; L88-E126 WeakPolarHBondContact CA-OE2 3.32Å; L89-E126 PolarHBondContact N-OE1 3.16Å; L89-E126 PolarHBondContact N-OE2 2.87Å; L90-E126 VanDerWaalsContact CB-OE1 3.27Å; L90-E126 WeakPolarHBondContact CB-OE1 3.29Å; L90-E126 HydrophobicContact CD1-CG 3.76Å; L90-E126 HydrophobicContact CG-CG 3.93Å; L90-E126 PolarHBondContact N-OE1 3.4Å; Q122-E126 HydrophobicContact CG-CG 4.47Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.48Å; Q122-E126 PolarHBondContact NE2-OE1 2.89Å; Q122-E126 WeakPolarHBondContact O-CG 3.46Å; Q122-E126 PolarHBondContact O-N 3.26Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.4Å; E126-L129 PolarHBondContact O-N 3.49Å; E126-V130 WeakPolarHBondContact O-CG2 3.5Å; E126-V130 PolarHBondContact O-N 3.01Å |
| 127 | A | 96.5 | Very high | 96.5 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T123 V130 G131 | T123-A127 VanDerWaalsContact O-CB 3.3Å; T123-A127 WeakPolarHBondContact O-CB 3.49Å; T123-A127 PolarHBondContact O-N 3.3Å; A127-V130 PolarHBondContact O-N 3.44Å; A127-G131 PolarHBondContact O-N 3.49Å |
| 128 | Y | 96.2 | Very high | 96.6 | Very high | 97 Ų | 97 | 55 Ų | 55 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.5 | 172.8 | -95.7 | 0 | 0 | 0 | 112.1 | G124 A125 E126 G131 L132 R160 E162 | G124-Y128 WeakPolarHBondContact O-CB 3.24Å; G124-Y128 PolarHBondContact O-N 2.92Å; A125-Y128 PolarHBondContact O-N 2.94Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.4Å; Y128-G131 PolarHBondContact O-N 3.21Å; Y128-L132 HydrophobicContact CE1-CD2 4.34Å; Y128-L132 WeakPolarHBondContact O-CB 3.46Å; Y128-L132 PolarHBondContact O-N 3.23Å; Y128-R160 VanDerWaalsContact CE2-NH1 3.31Å; Y128-E162 WeakPolarHBondContact CE2-OE1 3.32Å; Y128-E162 WeakPolarHBondContact CE2-OE2 3.43Å; Y128-E162 PolarHBondContact OH-OE2 2.7Å |
| 129 | L | 96.2 | Very high | 96.6 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 178.5 | -71.8 | 173.8 | 0 | 0 | 0 | 111.8 | A125 E126 L132 M133 | A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 2.93Å; E126-L129 PolarHBondContact O-N 3.49Å; L129-L132 PolarHBondContact O-N 2.52Å; L129-M133 WeakPolarHBondContact O-CB 3.44Å; L129-M133 WeakPolarHBondContact O-CG 3.49Å; L129-M133 PolarHBondContact O-N 2.91Å |
| 130 | V | 96.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | E126 A127 L132 M133 E134 | E126-V130 WeakPolarHBondContact O-CG2 3.5Å; E126-V130 PolarHBondContact O-N 3.01Å; A127-V130 PolarHBondContact O-N 3.44Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 3.39Å; V130-M133 PolarHBondContact O-N 2.93Å; V130-M133 VanDerWaalsContact O-N 3.1Å; V130-E134 WeakPolarHBondContact O-CG 3.48Å; V130-E134 PolarHBondContact O-N 3.34Å |
| 131 | G | 95.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A127 Y128 M133 E134 D135 | A127-G131 PolarHBondContact O-N 3.49Å; Y128-G131 PolarHBondContact O-N 3.21Å; G131-M133 VanDerWaalsContact C-N 3.32Å; G131-M133 PolarHBondContact O-N 3.25Å; G131-E134 PolarHBondContact O-N 3.09Å; G131-D135 PolarHBondContact O-N 3.12Å |
| 132 | L | 96 | Very high | 96.7 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 174.4 | 177.6 | 60.5 | 0 | 0 | 0 | 112.1 | Y128 L129 V130 D135 T136 M153 A156 L157 | Y128-L132 HydrophobicContact CE1-CD2 4.34Å; Y128-L132 WeakPolarHBondContact O-CB 3.46Å; Y128-L132 PolarHBondContact O-N 3.23Å; L129-L132 PolarHBondContact O-N 2.52Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 3.39Å; L132-D135 PolarHBondContact O-N 3.47Å; L132-T136 VanDerWaalsContact O-CB 3.32Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 2.79Å; L132-T136 PolarHBondContact O-OG1 3.46Å; L132-M153 HydrophobicContact CD1-CG 4.38Å; L132-M153 HydrophobicContact CD2-CG 4.13Å; L132-M153 HydrophobicContact CD2-SD 4.32Å; L132-M153 HydrophobicContact CG-CG 4.37Å; L132-A156 HydrophobicContact CD1-CB 4.08Å; L132-L157 HydrophobicContact CD1-CD2 3.62Å; L132-L157 HydrophobicContact CD1-CG 3.83Å; L132-L157 HydrophobicContact CD2-CD2 4.05Å; L132-L157 HydrophobicContact CD2-CG 4.5Å; L132-L157 HydrophobicContact CG-CD2 4.5Å |
| 133 | M | 96.7 | Very high | 96.7 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 39% | 0.389 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.9 | -31.8 | 179.3 | -70.2 | -69.3 | -67.1 | 0 | 0 | 112.4 | L129 V130 G131 T136 N137 I148 M153 | L129-M133 WeakPolarHBondContact O-CB 3.44Å; L129-M133 WeakPolarHBondContact O-CG 3.49Å; L129-M133 PolarHBondContact O-N 2.91Å; V130-M133 PolarHBondContact O-N 2.93Å; V130-M133 VanDerWaalsContact O-N 3.1Å; G131-M133 VanDerWaalsContact C-N 3.32Å; G131-M133 PolarHBondContact O-N 3.25Å; M133-T136 PolarHBondContact O-N 3.24Å; M133-N137 VanDerWaalsContact O-CB 3.29Å; M133-N137 WeakPolarHBondContact O-CB 2.85Å; M133-N137 PolarHBondContact O-N 3.08Å; M133-I148 HydrophobicContact CE-CD1 3.35Å; M133-I148 HydrophobicContact SD-CD1 4.3Å; M133-M153 HydrophobicContact SD-CE 4.2Å |
| 134 | E | 96.5 | Very high | 96.7 | Very high | 120 Ų | 120 | 65.7 Ų | 65.7 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.3 | -50.4 | 170.7 | -71.7 | 174 | -177.9 | 0 | 0 | 111 | V130 G131 T136 N137 L138 | V130-E134 WeakPolarHBondContact O-CG 3.48Å; V130-E134 PolarHBondContact O-N 3.34Å; G131-E134 PolarHBondContact O-N 3.09Å; E134-T136 VanDerWaalsContact C-N 3.32Å; E134-T136 PolarHBondContact O-N 2.75Å; E134-N137 WeakPolarHBondContact O-CB 3.43Å; E134-N137 PolarHBondContact O-N 2.98Å; E134-N137 VanDerWaalsContact O-N 3.16Å; E134-L138 WeakPolarHBondContact O-CG 3.22Å; E134-L138 PolarHBondContact O-N 3.32Å |
| 135 | D | 96.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 176 | -67 | -29.1 | 0 | 0 | 0 | 111.3 | G131 L132 N137 L138 A139 A156 R160 | G131-D135 PolarHBondContact O-N 3.12Å; L132-D135 PolarHBondContact O-N 3.47Å; D135-N137 VanDerWaalsContact C-N 3.33Å; D135-N137 PolarHBondContact O-N 2.97Å; D135-L138 PolarHBondContact O-N 2.93Å; D135-A139 PolarHBondContact O-N 3.21Å; D135-A156 HydrophobicContact CB-CB 3.81Å; D135-R160 IonicContact OD2-CZ 3.24Å; D135-R160 IonicContact OD2-NE 3.18Å; D135-R160 IonicContact OD2-NH2 2.74Å; D135-R160 PolarHBondContact OD2-NH2 3.38Å |
| 136 | T | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 177.3 | -59 | 0 | 0 | 0 | 0 | 111.7 | L132 M133 E134 A139 T140 I148 D152 M153 | L132-T136 VanDerWaalsContact O-CB 3.32Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 2.79Å; L132-T136 PolarHBondContact O-OG1 3.46Å; M133-T136 PolarHBondContact O-N 3.24Å; E134-T136 VanDerWaalsContact C-N 3.32Å; E134-T136 PolarHBondContact O-N 2.75Å; T136-A139 PolarHBondContact O-N 3.25Å; T136-T140 WeakPolarHBondContact O-CB 3.37Å; T136-T140 PolarHBondContact O-N 3.17Å; T136-T140 PolarHBondContact O-OG1 3.49Å; T136-I148 HydrophobicContact CG2-CB 4.15Å; T136-I148 HydrophobicContact CG2-CG2 4.13Å; T136-D152 HydrophobicContact CG2-CB 3.78Å; T136-M153 HydrophobicContact CG2-CB 4.2Å |
| 137 | N | 97.2 | Very high | 96.6 | Very high | 72 Ų | 72 | 77.2 Ų | 77.2 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 176.4 | -175.2 | 46.3 | 0 | 0 | 0 | 111.2 | M133 E134 D135 A139 T140 I141 | M133-N137 VanDerWaalsContact O-CB 3.29Å; M133-N137 WeakPolarHBondContact O-CB 2.85Å; M133-N137 PolarHBondContact O-N 3.08Å; E134-N137 WeakPolarHBondContact O-CB 3.43Å; E134-N137 PolarHBondContact O-N 2.98Å; E134-N137 VanDerWaalsContact O-N 3.16Å; D135-N137 VanDerWaalsContact C-N 3.33Å; D135-N137 PolarHBondContact O-N 2.97Å; N137-A139 PolarHBondContact O-N 3.33Å; N137-T140 WeakPolarHBondContact O-CB 3.43Å; N137-T140 PolarHBondContact O-N 2.98Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 PolarHBondContact O-N 3.44Å |
| 138 | L | 96.7 | Very high | 96.6 | Very high | 112 Ų | 112 | 77.6 Ų | 77.6 | 59% | 0.586 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 174.6 | -66.8 | 175.9 | 0 | 0 | 0 | 112 | E134 D135 T140 I141 H142 | E134-L138 WeakPolarHBondContact O-CG 3.22Å; E134-L138 PolarHBondContact O-N 3.32Å; D135-L138 PolarHBondContact O-N 2.93Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.4Å; L138-I141 PolarHBondContact O-N 3.27Å; L138-H142 WeakPolarHBondContact O-CB 3.34Å; L138-H142 PolarHBondContact O-N 2.75Å |
| 139 | A | 96.5 | Very high | 96.7 | Very high | 13 Ų | 13 | 76.2 Ų | 76.2 | 11% | 0.107 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | D135 T136 N137 H142 A143 D152 L155 | D135-A139 PolarHBondContact O-N 3.21Å; T136-A139 PolarHBondContact O-N 3.25Å; N137-A139 PolarHBondContact O-N 3.33Å; A139-H142 WeakPolarHBondContact O-CB 3.32Å; A139-H142 PolarHBondContact O-N 2.94Å; A139-A143 PolarHBondContact O-N 3.42Å; A139-A143 VanDerWaalsContact O-N 3.15Å; A139-D152 HydrophobicContact CB-CB 4.14Å; A139-L155 HydrophobicContact CB-CD2 4.13Å |
| 140 | T | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 177.4 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | T136 N137 L138 H142 A143 K144 R145 T147 I148 D152 | T136-T140 WeakPolarHBondContact O-CB 3.37Å; T136-T140 PolarHBondContact O-N 3.17Å; T136-T140 PolarHBondContact O-OG1 3.49Å; N137-T140 WeakPolarHBondContact O-CB 3.43Å; N137-T140 PolarHBondContact O-N 2.98Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.4Å; T140-H142 VanDerWaalsContact C-N 3.35Å; T140-A143 CarbonylContact O-C 3.56Å; T140-A143 PolarHBondContact O-N 3.28Å; T140-K144 PolarHBondContact O-N 3.46Å; T140-R145 CarbonylContact C-O 3.56Å; T140-R145 HydrophobicContact CG2-CB 3.87Å; T140-R145 PolarHBondContact O-N 3.33Å; T140-T147 VanDerWaalsContact CG2-O 3.29Å; T140-T147 WeakPolarHBondContact CG2-O 3.48Å; T140-I148 HydrophobicContact CG2-CG2 4.47Å; T140-D152 PolarHBondContact OG1-OD2 3.45Å |
| 141 | I | 97.1 | Very high | 96.6 | Very high | 72 Ų | 72 | 80 Ų | 80 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.2 | -67.7 | 166.8 | 0 | 0 | 0 | 110.5 | L29 N137 L138 A143 K144 | L29-I141 HydrophobicContact CD2-CG2 4.3Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 PolarHBondContact O-N 3.44Å; L138-I141 PolarHBondContact O-N 3.27Å; I141-A143 PolarHBondContact O-N 2.93Å; I141-K144 PolarHBondContact O-N 2.9Å |
| 142 | H | 96.6 | Very high | 96.7 | Very high | 163 Ų | 163 | 79.5 Ų | 79.5 | 76% | 0.755 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.8 | -38.9 | 175.6 | -178.4 | 73.6 | 0 | 0 | 0 | 111.9 | L138 A139 T140 K144 | L138-H142 WeakPolarHBondContact O-CB 3.34Å; L138-H142 PolarHBondContact O-N 2.75Å; A139-H142 WeakPolarHBondContact O-CB 3.32Å; A139-H142 PolarHBondContact O-N 2.94Å; T140-H142 VanDerWaalsContact C-N 3.35Å; H142-K144 PolarHBondContact O-N 3.27Å |
| 143 | A | 96.8 | Very high | 96.7 | Very high | 45 Ų | 45 | 82.4 Ų | 82.4 | 37% | 0.372 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 15 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A139 T140 I141 R145 | A139-A143 PolarHBondContact O-N 3.42Å; A139-A143 VanDerWaalsContact O-N 3.15Å; T140-A143 CarbonylContact O-C 3.56Å; T140-A143 PolarHBondContact O-N 3.28Å; I141-A143 PolarHBondContact O-N 2.93Å; A143-R145 VanDerWaalsContact C-N 3.25Å; A143-R145 PolarHBondContact O-N 3.15Å |
| 144 | K | 97.2 | Very high | 96.6 | Very high | 200 Ų | 200 | 84.6 Ų | 84.6 | 87% | 0.87 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 32.1 | -179.6 | -58 | 176.5 | -179.8 | 174.5 | 0 | 114.1 | T140 I141 H142 | T140-K144 PolarHBondContact O-N 3.46Å; I141-K144 PolarHBondContact O-N 2.9Å; H142-K144 PolarHBondContact O-N 3.27Å |
| 145 | R | 97.2 | Very high | 96.4 | Very high | 51 Ų | 51 | 82.7 Ų | 82.7 | 19% | 0.192 | 42% | 0.415 | C | S | . | . | trans | -115.5 | 162.9 | 175.7 | -72.2 | 176 | -72.4 | 108.4 | -5.5 | 110.2 | T140 A143 T147 R151 D152 | T140-R145 CarbonylContact C-O 3.56Å; T140-R145 HydrophobicContact CG2-CB 3.87Å; T140-R145 PolarHBondContact O-N 3.33Å; A143-R145 VanDerWaalsContact C-N 3.25Å; A143-R145 PolarHBondContact O-N 3.15Å; R145-T147 PolarHBondContact NH1-O 3.03Å; R145-R151 VanDerWaalsContact CZ-NH2 3.28Å; R145-D152 IonicContact CZ-OD1 3.53Å; R145-D152 IonicContact CZ-OD2 3.56Å; R145-D152 IonicContact NH1-OD1 3.47Å; R145-D152 PolarHBondContact NH1-OD1 2.9Å; R145-D152 IonicContact NH1-OD2 2.73Å; R145-D152 PolarHBondContact NH1-OD2 3.45Å; R145-D152 IonicContact NH2-OD1 2.69Å; R145-D152 PolarHBondContact NH2-OD1 3.2Å; R145-D152 IonicContact NH2-OD2 3.47Å; R145-D152 PolarHBondContact NH2-OD2 3.16Å | ||
| 146 | Q | 94.4 | Very high | 96.3 | Very high | 188 Ų | 188 | 80.2 Ų | 80.2 | 88% | 0.879 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -114.4 | -12.1 | 171.3 | -64.7 | 178.3 | -2.3 | 0 | 0 | 112.2 | ||
| 147 | T | 97.2 | Very high | 96.2 | Very high | 99 Ų | 99 | 81.4 Ų | 81.4 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -100.5 | 119.4 | 177.8 | -50.5 | 0 | 0 | 0 | 0 | 109.2 | T140 R145 | T140-T147 VanDerWaalsContact CG2-O 3.29Å; T140-T147 WeakPolarHBondContact CG2-O 3.48Å; R145-T147 PolarHBondContact NH1-O 3.03Å |
| 148 | I | 96.9 | Very high | 96 | Very high | 75 Ų | 75 | 84.5 Ų | 84.5 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | trans | -63.5 | 143.9 | 174.1 | 62.2 | 176.7 | 0 | 0 | 0 | 110.8 | M133 T136 T140 | M133-I148 HydrophobicContact CE-CD1 3.35Å; M133-I148 HydrophobicContact SD-CD1 4.3Å; T136-I148 HydrophobicContact CG2-CB 4.15Å; T136-I148 HydrophobicContact CG2-CG2 4.13Å; T140-I148 HydrophobicContact CG2-CG2 4.47Å | ||
| 149 | M | 97.6 | Very high | 95.8 | Very high | 67 Ų | 67 | 85.8 Ų | 85.8 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | trans | -132.6 | 157.8 | 177.8 | -61.6 | -176.2 | -178.9 | 0 | 0 | 110.6 | R151 D152 M153 | M149-R151 HydrophobicContact CB-CG 4.02Å; M149-R151 PolarHBondContact O-N 3.37Å; M149-R151 VanDerWaalsContact O-N 3.11Å; M149-R151 PolarHBondContact SD-NH1 3.22Å; M149-R151 PolarHBondContact SD-NH2 3.49Å; M149-D152 WeakPolarHBondContact CB-OD2 3.46Å; M149-D152 PolarHBondContact N-OD2 2.9Å; M149-D152 WeakPolarHBondContact O-CB 3.27Å; M149-D152 PolarHBondContact O-N 3.19Å; M149-M153 PolarHBondContact O-N 2.9Å | ||
| 150 | P | 96.3 | Very high | 95.7 | Very high | 103 Ų | 103 | 89.7 Ų | 89.7 | 67% | 0.669 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -54.7 | -33.3 | 179.3 | -28.4 | 35.9 | 0 | 0 | 0 | 114.2 | D152 M153 Q154 | P150-D152 VanDerWaalsContact C-N 3.28Å; P150-D152 PolarHBondContact O-N 3.49Å; P150-M153 PolarHBondContact O-N 3.27Å; P150-Q154 WeakPolarHBondContact O-CG 3.35Å; P150-Q154 PolarHBondContact O-N 2.84Å |
| 151 | R | 95 | Very high | 95.3 | Very high | 136 Ų | 136 | 92 Ų | 92 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -31.8 | 174.7 | 66.4 | -177.7 | 179.5 | -132.9 | 8 | 113.7 | R145 M149 L155 | R145-R151 VanDerWaalsContact CZ-NH2 3.28Å; M149-R151 HydrophobicContact CB-CG 4.02Å; M149-R151 PolarHBondContact O-N 3.37Å; M149-R151 VanDerWaalsContact O-N 3.11Å; M149-R151 PolarHBondContact SD-NH1 3.22Å; M149-R151 PolarHBondContact SD-NH2 3.49Å; R151-L155 WeakPolarHBondContact O-CB 3.37Å; R151-L155 PolarHBondContact O-N 3.48Å |
| 152 | D | 97 | Very high | 94.6 | Very high | 6 Ų | 6 | 92.7 Ų | 92.7 | 3% | 0.032 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -72.5 | -38.9 | 179.1 | -54.3 | -46.3 | 0 | 0 | 0 | 109.7 | T136 A139 T140 R145 M149 P150 L155 A156 | T136-D152 HydrophobicContact CG2-CB 3.78Å; A139-D152 HydrophobicContact CB-CB 4.14Å; T140-D152 PolarHBondContact OG1-OD2 3.45Å; R145-D152 IonicContact CZ-OD1 3.53Å; R145-D152 IonicContact CZ-OD2 3.56Å; R145-D152 IonicContact NH1-OD1 3.47Å; R145-D152 PolarHBondContact NH1-OD1 2.9Å; R145-D152 IonicContact NH1-OD2 2.73Å; R145-D152 PolarHBondContact NH1-OD2 3.45Å; R145-D152 IonicContact NH2-OD1 2.69Å; R145-D152 PolarHBondContact NH2-OD1 3.2Å; R145-D152 IonicContact NH2-OD2 3.47Å; R145-D152 PolarHBondContact NH2-OD2 3.16Å; M149-D152 WeakPolarHBondContact CB-OD2 3.46Å; M149-D152 PolarHBondContact N-OD2 2.9Å; M149-D152 WeakPolarHBondContact O-CB 3.27Å; M149-D152 PolarHBondContact O-N 3.19Å; P150-D152 VanDerWaalsContact C-N 3.28Å; P150-D152 PolarHBondContact O-N 3.49Å; D152-L155 PolarHBondContact O-N 3.28Å; D152-A156 WeakPolarHBondContact O-CB 3.43Å; D152-A156 PolarHBondContact O-N 2.96Å |
| 153 | M | 95.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 88.5 Ų | 88.5 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 174.7 | -174 | -178.1 | -69.5 | 0 | 0 | 111.5 | L132 M133 T136 M149 P150 L155 A156 L157 | L132-M153 HydrophobicContact CD1-CG 4.38Å; L132-M153 HydrophobicContact CD2-CG 4.13Å; L132-M153 HydrophobicContact CD2-SD 4.32Å; L132-M153 HydrophobicContact CG-CG 4.37Å; M133-M153 HydrophobicContact SD-CE 4.2Å; T136-M153 HydrophobicContact CG2-CB 4.2Å; M149-M153 PolarHBondContact O-N 2.9Å; P150-M153 PolarHBondContact O-N 3.27Å; M153-L155 VanDerWaalsContact C-N 3.32Å; M153-L155 PolarHBondContact O-N 2.89Å; M153-A156 PolarHBondContact O-N 3.11Å; M153-L157 HydrophobicContact CG-CD1 4.24Å; M153-L157 WeakPolarHBondContact O-CB 3.26Å; M153-L157 VanDerWaalsContact O-CG 3.32Å; M153-L157 WeakPolarHBondContact O-CG 3.34Å; M153-L157 PolarHBondContact O-N 3.41Å |
| 154 | Q | 94.5 | Very high | 91.5 | Very high | 124 Ų | 124 | 97.4 Ų | 97.4 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 174 | -73.5 | 171.6 | -14.3 | 0 | 0 | 111.7 | P150 L157 R158 | P150-Q154 WeakPolarHBondContact O-CG 3.35Å; P150-Q154 PolarHBondContact O-N 2.84Å; Q154-L157 PolarHBondContact O-N 3.28Å; Q154-R158 VanDerWaalsContact O-CB 3.26Å; Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 PolarHBondContact O-N 2.73Å |
| 155 | L | 94.1 | Very high | 89.5 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 174.9 | 179.5 | 62.4 | 0 | 0 | 0 | 111.2 | A139 R151 D152 M153 L157 R158 L159 | A139-L155 HydrophobicContact CB-CD2 4.13Å; R151-L155 WeakPolarHBondContact O-CB 3.37Å; R151-L155 PolarHBondContact O-N 3.48Å; D152-L155 PolarHBondContact O-N 3.28Å; M153-L155 VanDerWaalsContact C-N 3.32Å; M153-L155 PolarHBondContact O-N 2.89Å; L155-L157 PolarHBondContact O-N 2.94Å; L155-R158 PolarHBondContact O-N 2.69Å; L155-L159 HydrophobicContact CD1-CD1 4.21Å; L155-L159 HydrophobicContact CD1-CG 4.2Å; L155-L159 HydrophobicContact CG-CD1 4.12Å; L155-L159 HydrophobicContact CG-CG 4.49Å; L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.06Å |
| 156 | A | 94.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 100.8 Ų | 100.8 | 4% | 0.041 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L132 D135 D152 M153 R158 L159 R160 | L132-A156 HydrophobicContact CD1-CB 4.08Å; D135-A156 HydrophobicContact CB-CB 3.81Å; D152-A156 WeakPolarHBondContact O-CB 3.43Å; D152-A156 PolarHBondContact O-N 2.96Å; M153-A156 PolarHBondContact O-N 3.11Å; A156-R158 VanDerWaalsContact C-N 3.29Å; A156-R158 PolarHBondContact O-N 3.47Å; A156-L159 PolarHBondContact O-N 3.27Å; A156-R160 WeakPolarHBondContact O-CB 3.35Å; A156-R160 PolarHBondContact O-N 3.46Å |
| 157 | L | 95.1 | Very high | 88.8 | Confident | 27 Ų | 27 | 96.2 Ų | 96.2 | 14% | 0.141 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.3 | -34.6 | 176.9 | -70 | 171.6 | 0 | 0 | 0 | 112.8 | L132 M153 Q154 L155 G161 E162 M163 | L132-L157 HydrophobicContact CD1-CD2 3.62Å; L132-L157 HydrophobicContact CD1-CG 3.83Å; L132-L157 HydrophobicContact CD2-CD2 4.05Å; L132-L157 HydrophobicContact CD2-CG 4.5Å; L132-L157 HydrophobicContact CG-CD2 4.5Å; M153-L157 HydrophobicContact CG-CD1 4.24Å; M153-L157 WeakPolarHBondContact O-CB 3.26Å; M153-L157 VanDerWaalsContact O-CG 3.32Å; M153-L157 WeakPolarHBondContact O-CG 3.34Å; M153-L157 PolarHBondContact O-N 3.41Å; Q154-L157 PolarHBondContact O-N 3.28Å; L155-L157 PolarHBondContact O-N 2.94Å; L157-G161 PolarHBondContact O-N 3.23Å; L157-E162 HydrophobicContact CD2-CB 4.47Å; L157-E162 WeakPolarHBondContact CD2-OE2 3.37Å; L157-E162 PolarHBondContact O-N 3.15Å; L157-M163 HydrophobicContact CB-CB 4.43Å; L157-M163 HydrophobicContact CB-CG 3.54Å; L157-M163 HydrophobicContact CD1-CG 4.11Å; L157-M163 HydrophobicContact CD1-SD 4.49Å; L157-M163 HydrophobicContact CG-CG 4.39Å; L157-M163 PolarHBondContact O-N 3.47Å |
| 158 | R | 93.5 | Very high | 88.3 | Confident | 136 Ų | 136 | 96 Ų | 96 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 176.4 | -176.8 | 57.4 | 174.7 | 169.3 | 2.3 | 111.6 | Q154 L155 A156 R160 G161 M163 | Q154-R158 VanDerWaalsContact O-CB 3.26Å; Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 PolarHBondContact O-N 2.73Å; L155-R158 PolarHBondContact O-N 2.69Å; A156-R158 VanDerWaalsContact C-N 3.29Å; A156-R158 PolarHBondContact O-N 3.47Å; R158-R160 VanDerWaalsContact C-N 3.32Å; R158-G161 PolarHBondContact O-N 2.98Å; R158-M163 PolarHBondContact NH1-O 3.47Å |
| 159 | L | 92.4 | Very high | 87.8 | Confident | 139 Ų | 139 | 97.2 Ų | 97.2 | 73% | 0.728 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.4 | -33.2 | 177.2 | -69.2 | 175.2 | 0 | 0 | 0 | 112.1 | L155 A156 G161 | L155-L159 HydrophobicContact CD1-CD1 4.21Å; L155-L159 HydrophobicContact CD1-CG 4.2Å; L155-L159 HydrophobicContact CG-CD1 4.12Å; L155-L159 HydrophobicContact CG-CG 4.49Å; L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.06Å; A156-L159 PolarHBondContact O-N 3.27Å; L159-G161 VanDerWaalsContact C-N 3.27Å; L159-G161 PolarHBondContact O-N 3.29Å |
| 160 | R | 92.7 | Very high | 87.2 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.3 | -19.6 | 174.8 | -162.7 | 179.7 | -85.9 | -170.1 | -2.9 | 113.4 | Y128 D135 A156 R158 E162 | Y128-R160 VanDerWaalsContact CE2-NH1 3.31Å; D135-R160 IonicContact OD2-CZ 3.24Å; D135-R160 IonicContact OD2-NE 3.18Å; D135-R160 IonicContact OD2-NH2 2.74Å; D135-R160 PolarHBondContact OD2-NH2 3.38Å; A156-R160 WeakPolarHBondContact O-CB 3.35Å; A156-R160 PolarHBondContact O-N 3.46Å; R158-R160 VanDerWaalsContact C-N 3.32Å; R160-E162 HydrophobicContact CB-CG 4.32Å; R160-E162 WeakPolarHBondContact CD-OE1 3.48Å; R160-E162 HydrophobicContact CG-CG 4.01Å; R160-E162 IonicContact NH1-OE1 3.77Å; R160-E162 PolarHBondContact NH1-OE1 3.12Å |
| 161 | G | 89.8 | Confident | 86.6 | Confident | 49 Ų | 49 | 98.9 Ų | 98.9 | 51% | 0.505 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 12.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L157 R158 L159 | L157-G161 PolarHBondContact O-N 3.23Å; R158-G161 PolarHBondContact O-N 2.98Å; L159-G161 VanDerWaalsContact C-N 3.27Å; L159-G161 PolarHBondContact O-N 3.29Å |
| 162 | E | 81.9 | Confident | 86 | Confident | 86 Ų | 86 | 96.2 Ų | 96.2 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | trans | -81.8 | -26.7 | 179.5 | -67.5 | 179.4 | 171.8 | 0 | 0 | 112.4 | Y128 L157 R160 R164 | Y128-E162 WeakPolarHBondContact CE2-OE1 3.32Å; Y128-E162 WeakPolarHBondContact CE2-OE2 3.43Å; Y128-E162 PolarHBondContact OH-OE2 2.7Å; L157-E162 HydrophobicContact CD2-CB 4.47Å; L157-E162 WeakPolarHBondContact CD2-OE2 3.37Å; L157-E162 PolarHBondContact O-N 3.15Å; R160-E162 HydrophobicContact CB-CG 4.32Å; R160-E162 WeakPolarHBondContact CD-OE1 3.48Å; R160-E162 HydrophobicContact CG-CG 4.01Å; R160-E162 IonicContact NH1-OE1 3.77Å; R160-E162 PolarHBondContact NH1-OE1 3.12Å; E162-R164 PolarHBondContact O-N 3.43Å | ||
| 163 | M | 71.1 | Confident | 85.2 | Confident | 76 Ų | 76 | 103.2 Ų | 103.2 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | trans | -87.2 | 98.1 | 171.9 | -73.1 | -72 | -67.9 | 0 | 0 | 110.1 | L157 R158 | L157-M163 HydrophobicContact CB-CB 4.43Å; L157-M163 HydrophobicContact CB-CG 3.54Å; L157-M163 HydrophobicContact CD1-CG 4.11Å; L157-M163 HydrophobicContact CD1-SD 4.49Å; L157-M163 HydrophobicContact CG-CG 4.39Å; L157-M163 PolarHBondContact O-N 3.47Å; R158-M163 PolarHBondContact NH1-O 3.47Å | ||
| 164 | R | 58.9 | Low | 84.3 | Confident | 231 Ų | 231 | 105.8 Ų | 105.8 | 87% | 0.872 | 49% | 0.492 | S | S | * | . | trans | -81.2 | 122.6 | 163.9 | -64 | -178.3 | -179 | 175 | -0.6 | 108.2 | E162 | E162-R164 PolarHBondContact O-N 3.43Š| ||
| 165 | F | 53.5 | Low | 83.4 | Confident | 221 Ų | 221 | 104.2 Ų | 104.2 | 97% | 0.969 | 48% | 0.484 | S | S | * | . | trans | -92.4 | 0 | 160.5 | -65.4 | -74.1 | 0 | 0 | 0 | 108 |
Retrieved 165 of 165 residues in 62 ms
(Link to these results)