| 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 | 54.9 | Low | 54.4 | Low | 228 Ų | 228 | 147 Ų | 147 | 100% | 1.123 | 84% | 0.838 | S | S | * | * | 0 | 91.1 | 0 | -74.4 | -76.7 | 171.2 | 0 | 0 | 107.3 | |||||
| 2 | S | 53.4 | Low | 53.5 | Low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -124.8 | 111.3 | -178.2 | -55.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | F | 50.7 | Low | 53 | Low | 197 Ų | 197 | 147.2 Ų | 147.2 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -122.8 | 133.2 | 169.5 | -77.8 | -79.3 | 0 | 0 | 0 | 109.2 | ||||
| 4 | A | 49.4 | Very low | 52.4 | Low | 95 Ų | 95 | 152.2 Ų | 152.2 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 134.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 5 | T | 64.3 | Low | 52.4 | Low | 138 Ų | 138 | 152.4 Ų | 152.4 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 121.8 | 170.9 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | R7 | T5-R7 PolarHBondContact O-N 3.32Š|
| 6 | L | 57.7 | Low | 51.5 | Low | 164 Ų | 164 | 155.1 Ų | 155.1 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.5 | 172.4 | -96.1 | 68.8 | 0 | 0 | 0 | 110.3 | ||
| 7 | R | 53.8 | Low | 51.4 | Low | 236 Ų | 236 | 152.1 Ų | 152.1 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123 | 174.4 | 176.8 | 171.6 | 158.1 | 142.6 | -6.5 | 109.8 | T5 A9 | T5-R7 PolarHBondContact O-N 3.32Å; R7-A9 PolarHBondContact O-N 3.01Å |
| 8 | P | 50.9 | Low | 51 | Low | 120 Ų | 120 | 153.6 Ų | 153.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.9 | 175.7 | -16.3 | 28.9 | 0 | 0 | 0 | 110.4 | ||
| 9 | A | 56.9 | Low | 50.8 | Low | 90 Ų | 90 | 151.9 Ų | 151.9 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 136.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | R7 | R7-A9 PolarHBondContact O-N 3.01Š|
| 10 | P | 52.8 | Low | 50.5 | Low | 112 Ų | 112 | 148.6 Ų | 148.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 149.9 | -174.3 | 29.7 | -33.3 | 0 | 0 | 0 | 111.3 | G12 | P10-G12 PolarHBondContact O-N 3.23Š|
| 11 | P | 53.1 | Low | 50.7 | Low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -68.8 | 94.3 | 176.8 | 27.8 | -32.2 | 0 | 0 | 0 | 109.3 | R13 | P11-R13 PolarHBondContact O-N 3.37Š| ||
| 12 | G | 43.8 | Very low | 50.2 | Low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -58.9 | 106.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P10 Y14 | P10-G12 PolarHBondContact O-N 3.23Å; G12-Y14 VanDerWaalsContact C-N 3.3Å; G12-Y14 PolarHBondContact O-N 3.39Å | ||
| 13 | R | 47.1 | Very low | 49.8 | Very low | 225 Ų | 225 | 143.6 Ų | 143.6 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 83.5 | 177.7 | -60.9 | -178.8 | 158.5 | -161.4 | -8.7 | 108.9 | P11 L15 | P11-R13 PolarHBondContact O-N 3.37Å; R13-L15 VanDerWaalsContact C-N 3.3Å; R13-L15 PolarHBondContact O-N 3.49Å; R13-L15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | Y | 44.9 | Very low | 50 | Low | 218 Ų | 218 | 143.2 Ų | 143.2 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 89 | 164.7 | -122.3 | -92.4 | 0 | 0 | 0 | 107.7 | G12 Y16 | G12-Y14 VanDerWaalsContact C-N 3.3Å; G12-Y14 PolarHBondContact O-N 3.39Å; Y14-Y16 PolarHBondContact O-N 2.77Å | ||
| 15 | L | 52 | Low | 50.1 | Low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -78.6 | 104.3 | 167.3 | -68.1 | 176.4 | 0 | 0 | 0 | 107 | R13 | R13-L15 VanDerWaalsContact C-N 3.3Å; R13-L15 PolarHBondContact O-N 3.49Å; R13-L15 VanDerWaalsContact O-N 3.1Å | ||
| 16 | Y | 37.9 | Very low | 49.4 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | -67.9 | 128.3 | 177.6 | -162.6 | -98 | 0 | 0 | 0 | 109.4 | Y14 E18 | Y14-Y16 PolarHBondContact O-N 2.77Å; Y16-E18 PolarHBondContact O-N 3.18Å | ||
| 17 | P | 49.7 | Very low | 49 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -63.5 | 130.7 | 177.4 | -24.3 | 35.1 | 0 | 0 | 0 | 112.3 | V19 | P17-V19 PolarHBondContact O-N 3.05Å; P17-V19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | E | 44 | Very low | 48.6 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -43.9 | 106.9 | 165.4 | -88.8 | -94.4 | 123.4 | 0 | 0 | 110.8 | Y16 S20 | Y16-E18 PolarHBondContact O-N 3.18Å; E18-S20 PolarHBondContact O-N 2.98Å | ||
| 19 | V | 48.9 | Very low | 48 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | -79.4 | 108.6 | 160.6 | 52.1 | 0 | 0 | 0 | 0 | 106.7 | P17 | P17-V19 PolarHBondContact O-N 3.05Å; P17-V19 VanDerWaalsContact O-N 3.08Å | ||
| 20 | S | 43.6 | Very low | 48 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | trans | -54.7 | 128.9 | 173.4 | -55.4 | 0 | 0 | 0 | 0 | 110.1 | E18 L22 | E18-S20 PolarHBondContact O-N 2.98Å; S20-L22 PolarHBondContact O-N 3.3Å; S20-L22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | P | 54.5 | Low | 48 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 109.7 | 175 | 26 | -29.4 | 0 | 0 | 0 | 108.7 | ||||
| 22 | L | 44.1 | Very low | 47.7 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -79.2 | 121.9 | 171.8 | -74.5 | 172.4 | 0 | 0 | 0 | 109.2 | S20 | S20-L22 PolarHBondContact O-N 3.3Å; S20-L22 VanDerWaalsContact O-N 3.13Å | ||
| 23 | S | 46.9 | Very low | 48.2 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -14.1 | 118 | 170.3 | -159.1 | 0 | 0 | 0 | 0 | 115.9 | D25 | S23-D25 PolarHBondContact OG-OD2 2.96Š| ||
| 24 | E | 54.1 | Low | 47.7 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 108.4 | 162.5 | 41.8 | -175.2 | 82.6 | 0 | 0 | 108.2 | ||||
| 25 | D | 50.9 | Low | 47.8 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -100.9 | 148.6 | 172.9 | -79.4 | -85.7 | 0 | 0 | 0 | 110.5 | S23 | S23-D25 PolarHBondContact OG-OD2 2.96Š| ||
| 26 | E | 49.9 | Very low | 47.8 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -87.1 | 155.5 | -149.8 | -49.5 | -177.1 | 87.9 | 0 | 0 | 114.8 | ||||
| 27 | D | 49.2 | Very low | 48.4 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -178.1 | 99.7 | 141.1 | -124.3 | -80.9 | 0 | 0 | 0 | 108.5 | ||||
| 28 | R | 45.5 | Very low | 48.6 | Very low | 244 Ų | 244 | 139.8 Ų | 139.8 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | 71.3 | 115.9 | 74.6 | -153.1 | 164.8 | -163.6 | 159.9 | 2.9 | 114.5 | |||||
| 29 | G | 38.8 | Very low | 48.6 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 127.6 | 129.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 30 | S | 57.1 | Low | 48 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | cis | -151.3 | 143.8 | -0.2 | -83.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 31 | D | 53 | Low | 47.9 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -57.5 | 141.2 | 161.3 | 48.8 | -66.7 | 0 | 0 | 0 | 112.6 | ||||
| 32 | S | 45.7 | Very low | 47.3 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -161.2 | 111.9 | 148.1 | -163.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | S | 54.2 | Low | 47.2 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 59.7 | 94.7 | 137.7 | -112.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 34 | G | 36.2 | Very low | 46.8 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | 46 | 120.5 | 111 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 35 | S | 47.6 | Very low | 46 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | -167.7 | 128.5 | 129.4 | -118.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 36 | D | 52.3 | Low | 45.6 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 77.1 | 93.1 | 149 | -60.7 | -82.6 | 0 | 0 | 0 | 120.6 | ||||
| 37 | E | 49.6 | Very low | 44.8 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -27 | 130.4 | 152 | 56.9 | -135.4 | 68.4 | 0 | 0 | 118.5 | ||||
| 38 | K | 54.5 | Low | 44.2 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -144.1 | 115.2 | 145.1 | -119.8 | 170.8 | -175.5 | 174.2 | 0 | 109.2 | C40 | K38-C40 PolarHBondContact O-N 3.45Å; K38-C40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | P | 43.1 | Very low | 43.9 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -72.1 | 108.7 | -173.3 | 26.1 | -32.1 | 0 | 0 | 0 | 111.1 | R41 | P39-R41 PolarHBondContact O-N 3.07Å; P39-R41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | C | 36.9 | Very low | 44 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -69.8 | 104.2 | 162.9 | -71.7 | 0 | 0 | 0 | 0 | 108.2 | K38 V42 | K38-C40 PolarHBondContact O-N 3.45Å; K38-C40 VanDerWaalsContact O-N 3.12Å; C40-V42 PolarHBondContact O-N 2.94Å | ||
| 41 | R | 42.3 | Very low | 42.9 | Very low | 244 Ų | 244 | 138.4 Ų | 138.4 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -53.3 | 114 | 174.3 | -71.5 | -170.5 | 170.2 | -176.7 | -2.5 | 110.2 | P39 H43 | P39-R41 PolarHBondContact O-N 3.07Å; P39-R41 VanDerWaalsContact O-N 3.14Å; R41-H43 PolarHBondContact O-N 3.05Å | ||
| 42 | V | 40.5 | Very low | 42.3 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -72.6 | 112.3 | 168.4 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | C40 A44 | C40-V42 PolarHBondContact O-N 2.94Å; V42-A44 HydrophobicContact CG1-CB 4.45Å | ||
| 43 | H | 42.7 | Very low | 42.1 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -112.8 | 102.4 | 152.4 | -122.9 | -80.7 | 0 | 0 | 0 | 107.3 | R41 | R41-H43 PolarHBondContact O-N 3.05Š| ||
| 44 | A | 39.3 | Very low | 41.4 | Very low | 76 Ų | 76 | 144 Ų | 144 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 152.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V42 | V42-A44 HydrophobicContact CG1-CB 4.45Š| ||
| 45 | A | 37.6 | Very low | 41.8 | Very low | 93 Ų | 93 | 151.6 Ų | 151.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 63 | 104.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 46 | R | 42.3 | Very low | 41.6 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | -148.2 | 84.8 | 125.6 | -104.3 | 174.5 | -175.1 | -103.6 | -0.7 | 108.5 | G48 | R46-G48 PolarHBondContact O-N 3.07Š| |||
| 47 | C | 32.8 | Very low | 41.1 | Very low | 123 Ų | 123 | 149 Ų | 149 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -71.9 | 83.1 | 165 | -167.2 | 0 | 0 | 0 | 0 | 107.6 | L49 | C47-L49 PolarHBondContact O-N 3.38Š| ||
| 48 | G | 36.7 | Very low | 40.7 | Very low | 68 Ų | 68 | 144.3 Ų | 144.3 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -86.9 | 88 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R46 Q50 | R46-G48 PolarHBondContact O-N 3.07Å; G48-Q50 PolarHBondContact O-N 3.5Å; G48-Q50 VanDerWaalsContact O-N 3.16Å | ||
| 49 | L | 39.7 | Very low | 40.4 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -66.6 | 101.5 | 157 | -81.1 | 144.6 | 0 | 0 | 0 | 107.1 | C47 | C47-L49 PolarHBondContact O-N 3.38Š| ||
| 50 | Q | 39 | Very low | 40.6 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -170.9 | 131.8 | 159.5 | -105.7 | 159.3 | 102.6 | 0 | 0 | 110.4 | G48 | G48-Q50 PolarHBondContact O-N 3.5Å; G48-Q50 VanDerWaalsContact O-N 3.16Å | ||
| 51 | G | 35.5 | Very low | 41.1 | Very low | 74 Ų | 74 | 152.2 Ų | 152.2 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | 110.5 | 62 | 159 | 0 | 0 | 0 | 0 | 0 | 115.3 | R53 | G51-R53 PolarHBondContact O-N 2.98Š| ||
| 52 | A | 39.1 | Very low | 41 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -51.6 | 130.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 53 | R | 41.3 | Very low | 40.8 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 75% | 0.751 | 83% | 0.827 | S | S | * | * | trans | 141.6 | 129.2 | 134.3 | -73 | 178.5 | -170.5 | -95.7 | 3.6 | 113.9 | G51 | G51-R53 PolarHBondContact O-N 2.98Š| ||
| 54 | R | 40.7 | Very low | 40.6 | Very low | 208 Ų | 208 | 137.5 Ų | 137.5 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | 75 | 145 | 155.4 | -30.2 | -154.7 | 177.6 | -101.2 | 5.3 | 114.9 | ||||
| 55 | R | 43.8 | Very low | 40.8 | Very low | 236 Ų | 236 | 136.6 Ų | 136.6 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | cis | -160.9 | 148.2 | 19 | -156.2 | 173.9 | -178.3 | -163.3 | 0.1 | 108.5 | ||||
| 56 | A | 44.4 | Very low | 41.4 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | -59.5 | 151.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 57 | G | 41 | Very low | 41.6 | Very low | 88 Ų | 88 | 130 Ų | 130 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | 103.2 | 100.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 58 | G | 41.7 | Very low | 42.5 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -173.2 | 73.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R60 | G58-R60 PolarHBondContact O-N 3.24Š| ||
| 59 | R | 49 | Very low | 43.5 | Very low | 252 Ų | 252 | 134.3 Ų | 134.3 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | trans | -59.1 | 117.8 | 165.6 | -71 | 172.1 | 169.9 | -118.8 | 0.3 | 108.1 | ||||
| 60 | R | 46.9 | Very low | 44.3 | Very low | 247 Ų | 247 | 133 Ų | 133 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -113.7 | 92.9 | 157.5 | -81.1 | -171.3 | 171.2 | -119.8 | 0.7 | 107.9 | G58 | G58-R60 PolarHBondContact O-N 3.24Š| ||
| 61 | A | 46.1 | Very low | 45.3 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -76.1 | 144.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 62 | G | 40 | Very low | 46.6 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | 101 | 114.5 | 166 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 63 | G | 38 | Very low | 48.2 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 153.9 | 57.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G65 | G63-G65 PolarHBondContact O-N 3.21Š| ||
| 64 | G | 38.7 | Very low | 50.1 | Low | 91 Ų | 91 | 128.5 Ų | 128.5 | 94% | 0.938 | 79% | 0.79 | S | S | * | * | trans | -61.9 | 118.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 65 | G | 42.4 | Very low | 52.1 | Low | 58 Ų | 58 | 128.4 Ų | 128.4 | 60% | 0.598 | 79% | 0.789 | S | S | * | * | trans | -142.2 | 122 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | G63 G67 | G63-G65 PolarHBondContact O-N 3.21Å; G65-G67 PolarHBondContact O-N 2.99Å | ||
| 66 | P | 51.2 | Low | 54.3 | Low | 148 Ų | 148 | 121.8 Ų | 121.8 | 96% | 0.961 | 77% | 0.769 | S | S | * | * | trans | -78 | 71.5 | 176.7 | 33.6 | -31.2 | 0 | 0 | 0 | 108.1 | ||||
| 67 | G | 46 | Very low | 56.6 | Low | 57 Ų | 57 | 125.5 Ų | 125.5 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | trans | -125.6 | 76 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | G65 R69 | G65-G67 PolarHBondContact O-N 2.99Å; G67-R69 PolarHBondContact O-N 3.4Å | ||
| 68 | G | 52.4 | Low | 59.1 | Low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -51.8 | 112.2 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | P70 | G68-P70 WeakPolarHBondContact O-CD 3.46Š| ||
| 69 | R | 57.4 | Low | 61.6 | Low | 206 Ų | 206 | 126.6 Ų | 126.6 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | trans | -79.1 | 105 | 173 | -69.5 | -178.8 | 96.2 | -130.2 | 8.5 | 107 | G67 G71 | G67-R69 PolarHBondContact O-N 3.4Å; R69-G71 PolarHBondContact O-N 3.41Å | ||
| 70 | P | 55.8 | Low | 63.8 | Low | 123 Ų | 123 | 117.1 Ų | 117.1 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 0.4 | -178.3 | 30.4 | -35.4 | 0 | 0 | 0 | 113.6 | G68 | G68-P70 WeakPolarHBondContact O-CD 3.46Š|
| 71 | G | 60 | Low | 66.2 | Low | 64 Ų | 64 | 109 Ų | 109 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -11.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | R69 | R69-G71 PolarHBondContact O-N 3.41Š|
| 72 | R | 63.1 | Low | 68.6 | Low | 170 Ų | 170 | 105.8 Ų | 105.8 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -93.3 | -16.5 | -176.5 | -154.6 | -168.7 | 168.9 | -146.1 | -2 | 113.3 | Q76 | R72-Q76 VanDerWaalsContact CG-NE2 3.31Å; R72-Q76 WeakPolarHBondContact O-CG 3.33Å; R72-Q76 PolarHBondContact O-NE2 2.95Å |
| 73 | E | 72.1 | Confident | 71.3 | Confident | 149 Ų | 149 | 110.2 Ų | 110.2 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.8 | -43.9 | -174.3 | -158.8 | 177.7 | 104 | 0 | 0 | 113.5 | R75 Q76 R77 | E73-R75 PolarHBondContact O-N 2.92Å; E73-Q76 PolarHBondContact O-N 2.86Å; E73-R77 PolarHBondContact O-N 3.39Å |
| 74 | P | 80.6 | Confident | 74.2 | Confident | 87 Ų | 87 | 110.2 Ų | 110.2 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.8 | -41.1 | -176.2 | -24.2 | 34.6 | 0 | 0 | 0 | 113.1 | R77 H78 | P74-R77 PolarHBondContact O-N 3.22Å; P74-H78 PolarHBondContact O-N 2.94Å |
| 75 | R | 83.5 | Confident | 77 | Confident | 205 Ų | 205 | 113.8 Ų | 113.8 | 77% | 0.774 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.1 | -36 | -179.9 | -166.5 | 175.4 | 176.1 | -164.3 | -0.8 | 112.3 | E73 T79 | E73-R75 PolarHBondContact O-N 2.92Å; R75-T79 WeakPolarHBondContact O-CB 3.5Å; R75-T79 PolarHBondContact O-N 3.1Å; R75-T79 PolarHBondContact O-OG1 3.01Å |
| 76 | Q | 89.8 | Confident | 79.7 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 45% | 0.453 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.6 | -44.7 | 174.6 | -74.9 | 177.8 | 71.9 | 0 | 0 | 110.9 | R72 E73 H78 T79 A80 | R72-Q76 VanDerWaalsContact CG-NE2 3.31Å; R72-Q76 WeakPolarHBondContact O-CG 3.33Å; R72-Q76 PolarHBondContact O-NE2 2.95Å; E73-Q76 PolarHBondContact O-N 2.86Å; Q76-H78 PolarHBondContact O-N 3.28Å; Q76-T79 PolarHBondContact O-N 2.9Å; Q76-A80 WeakPolarHBondContact O-CB 3.36Å; Q76-A80 PolarHBondContact O-N 3.36Å |
| 77 | R | 92 | Very high | 81.9 | Confident | 179 Ų | 179 | 116.6 Ų | 116.6 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.4 | -45.5 | 175.5 | -172.5 | 176 | -179.8 | -174.9 | -1.6 | 111.8 | E73 P74 T79 A80 N81 | E73-R77 PolarHBondContact O-N 3.39Å; P74-R77 PolarHBondContact O-N 3.22Å; R77-T79 VanDerWaalsContact C-N 3.34Å; R77-T79 PolarHBondContact O-N 3.28Å; R77-A80 PolarHBondContact O-N 3.48Å; R77-N81 WeakPolarHBondContact O-CB 3.38Å; R77-N81 PolarHBondContact O-N 3.07Å; R77-N81 PolarHBondContact O-OD1 3.31Å |
| 78 | H | 94.8 | Very high | 84.4 | Confident | 122 Ų | 122 | 116.8 Ų | 116.8 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.1 | -43.1 | 175.9 | -172.6 | -87.6 | 0 | 0 | 0 | 112.2 | P74 Q76 A80 N81 A82 | P74-H78 PolarHBondContact O-N 2.94Å; Q76-H78 PolarHBondContact O-N 3.28Å; H78-A80 PolarHBondContact O-N 3.35Å; H78-N81 PolarHBondContact O-N 3.29Å; H78-A82 WeakPolarHBondContact O-CB 3.49Å; H78-A82 PolarHBondContact O-N 3.08Å |
| 79 | T | 93.3 | Very high | 86.6 | Confident | 62 Ų | 62 | 118 Ų | 118 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -40.2 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | R75 Q76 R77 A82 R83 | R75-T79 WeakPolarHBondContact O-CB 3.5Å; R75-T79 PolarHBondContact O-N 3.1Å; R75-T79 PolarHBondContact O-OG1 3.01Å; Q76-T79 PolarHBondContact O-N 2.9Å; R77-T79 VanDerWaalsContact C-N 3.34Å; R77-T79 PolarHBondContact O-N 3.28Å; T79-A82 PolarHBondContact O-N 2.93Å; T79-R83 WeakPolarHBondContact O-CG 3.44Å; T79-R83 PolarHBondContact O-N 3.38Å |
| 80 | A | 95.1 | Very high | 88.6 | Confident | 54 Ų | 54 | 112 Ų | 112 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q76 R77 H78 A82 R83 E84 | Q76-A80 WeakPolarHBondContact O-CB 3.36Å; Q76-A80 PolarHBondContact O-N 3.36Å; R77-A80 PolarHBondContact O-N 3.48Å; H78-A80 PolarHBondContact O-N 3.35Å; A80-A82 VanDerWaalsContact C-N 3.3Å; A80-A82 PolarHBondContact O-N 3.1Å; A80-R83 PolarHBondContact O-N 3.28Å; A80-E84 PolarHBondContact O-N 3.26Å |
| 81 | N | 97.4 | Very high | 90.6 | Very high | 77 Ų | 77 | 109.6 Ų | 109.6 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 176.1 | -70.7 | -10.7 | 0 | 0 | 0 | 112 | R77 H78 E84 R85 | R77-N81 WeakPolarHBondContact O-CB 3.38Å; R77-N81 PolarHBondContact O-N 3.07Å; R77-N81 PolarHBondContact O-OD1 3.31Å; H78-N81 PolarHBondContact O-N 3.29Å; N81-E84 PolarHBondContact O-N 3.5Å; N81-R85 PolarHBondContact O-N 3.03Å; N81-R85 VanDerWaalsContact O-N 3.12Å |
| 82 | A | 96.9 | Very high | 92.4 | Very high | 33 Ų | 33 | 109.1 Ų | 109.1 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H78 T79 A80 E84 R85 D86 | H78-A82 WeakPolarHBondContact O-CB 3.49Å; H78-A82 PolarHBondContact O-N 3.08Å; T79-A82 PolarHBondContact O-N 2.93Å; A80-A82 VanDerWaalsContact C-N 3.3Å; A80-A82 PolarHBondContact O-N 3.1Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.42Å; A82-R85 WeakPolarHBondContact O-CB 3.36Å; A82-R85 PolarHBondContact O-N 2.68Å; A82-R85 VanDerWaalsContact O-N 3.12Å; A82-D86 PolarHBondContact O-N 3Å |
| 83 | R | 97.5 | Very high | 94.1 | Very high | 178 Ų | 178 | 105 Ų | 105 | 67% | 0.672 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -36.5 | 177 | -68.1 | 173.4 | -179.5 | -169.8 | -1.4 | 113.2 | T79 A80 D86 R87 | T79-R83 WeakPolarHBondContact O-CG 3.44Å; T79-R83 PolarHBondContact O-N 3.38Å; A80-R83 PolarHBondContact O-N 3.28Å; R83-D86 PolarHBondContact O-N 2.92Å; R83-R87 PolarHBondContact O-N 3.06Å |
| 84 | E | 98 | Very high | 95.3 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 177.6 | -175.1 | 54 | -138.9 | 0 | 0 | 112 | A80 N81 A82 D86 R87 T88 | A80-E84 PolarHBondContact O-N 3.26Å; N81-E84 PolarHBondContact O-N 3.5Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.42Å; E84-D86 VanDerWaalsContact C-N 3.35Å; E84-R87 PolarHBondContact O-N 2.93Å; E84-R87 IonicContact OE1-CZ 2.99Å; E84-R87 IonicContact OE1-NE 3.99Å; E84-R87 PolarHBondContact OE1-NE 2.72Å; E84-R87 IonicContact OE1-NH2 3.07Å; E84-R87 PolarHBondContact OE1-NH2 3.34Å; E84-R87 IonicContact OE2-CZ 3.13Å; E84-R87 IonicContact OE2-NE 2.84Å; E84-R87 PolarHBondContact OE2-NE 3.23Å; E84-R87 VanDerWaalsContact OE2-NE 3.07Å; E84-R87 IonicContact OE2-NH1 3.21Å; E84-R87 IonicContact OE2-NH2 3.03Å; E84-R87 PolarHBondContact OE2-NH2 2.99Å; E84-T88 WeakPolarHBondContact O-CB 3.45Å; E84-T88 PolarHBondContact O-N 2.95Å; E84-T88 PolarHBondContact O-OG1 3.38Å |
| 85 | R | 98.3 | Very high | 96.1 | Very high | 167 Ų | 167 | 98.5 Ų | 98.5 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 172 | -69.2 | -178.2 | -177.3 | 133.5 | -3 | 111.1 | N81 A82 R87 T88 N89 | N81-R85 PolarHBondContact O-N 3.03Å; N81-R85 VanDerWaalsContact O-N 3.12Å; A82-R85 WeakPolarHBondContact O-CB 3.36Å; A82-R85 PolarHBondContact O-N 2.68Å; A82-R85 VanDerWaalsContact O-N 3.12Å; R85-R87 PolarHBondContact O-N 3.5Å; R85-T88 PolarHBondContact O-N 3.35Å; R85-N89 WeakPolarHBondContact O-CB 3.44Å; R85-N89 PolarHBondContact O-N 3.47Å |
| 86 | D | 98.2 | Very high | 96.8 | Very high | 106 Ų | 106 | 92.4 Ų | 92.4 | 57% | 0.567 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 176.9 | -60.9 | -33.1 | 0 | 0 | 0 | 111.6 | A82 R83 E84 T88 N89 S90 | A82-D86 PolarHBondContact O-N 3Å; R83-D86 PolarHBondContact O-N 2.92Å; E84-D86 VanDerWaalsContact C-N 3.35Å; D86-T88 PolarHBondContact O-N 2.97Å; D86-N89 PolarHBondContact O-N 3.07Å; D86-S90 PolarHBondContact O-N 3.17Å |
| 87 | R | 98.5 | Very high | 97.1 | Very high | 159 Ų | 159 | 90.5 Ų | 90.5 | 60% | 0.6 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 174.9 | -172.7 | 179.4 | 76.1 | 157.8 | 3.7 | 111.5 | R83 E84 R85 N89 S90 V91 | R83-R87 PolarHBondContact O-N 3.06Å; E84-R87 PolarHBondContact O-N 2.93Å; E84-R87 IonicContact OE1-CZ 2.99Å; E84-R87 IonicContact OE1-NE 3.99Å; E84-R87 PolarHBondContact OE1-NE 2.72Å; E84-R87 IonicContact OE1-NH2 3.07Å; E84-R87 PolarHBondContact OE1-NH2 3.34Å; E84-R87 IonicContact OE2-CZ 3.13Å; E84-R87 IonicContact OE2-NE 2.84Å; E84-R87 PolarHBondContact OE2-NE 3.23Å; E84-R87 VanDerWaalsContact OE2-NE 3.07Å; E84-R87 IonicContact OE2-NH1 3.21Å; E84-R87 IonicContact OE2-NH2 3.03Å; E84-R87 PolarHBondContact OE2-NH2 2.99Å; R85-R87 PolarHBondContact O-N 3.5Å; R87-N89 VanDerWaalsContact C-N 3.34Å; R87-N89 PolarHBondContact O-N 3.24Å; R87-S90 PolarHBondContact O-N 3.24Å; R87-V91 WeakPolarHBondContact O-CG2 3.31Å; R87-V91 PolarHBondContact O-N 3.1Å; R87-V91 VanDerWaalsContact O-N 3.16Å |
| 88 | T | 98.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 84.8 Ų | 84.8 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.3 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | E84 R85 D86 V91 N92 | E84-T88 WeakPolarHBondContact O-CB 3.45Å; E84-T88 PolarHBondContact O-N 2.95Å; E84-T88 PolarHBondContact O-OG1 3.38Å; R85-T88 PolarHBondContact O-N 3.35Å; D86-T88 PolarHBondContact O-N 2.97Å; T88-V91 PolarHBondContact O-N 3.19Å; T88-N92 VanDerWaalsContact O-CG 3.29Å; T88-N92 PolarHBondContact O-N 3.09Å; T88-N92 PolarHBondContact O-ND2 3.5Å |
| 89 | N | 98.4 | Very high | 97.5 | Very high | 100 Ų | 100 | 82.6 Ų | 82.6 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 176.7 | -169.6 | 14.2 | 0 | 0 | 0 | 110.9 | R85 D86 R87 V91 N92 T93 | R85-N89 WeakPolarHBondContact O-CB 3.44Å; R85-N89 PolarHBondContact O-N 3.47Å; D86-N89 PolarHBondContact O-N 3.07Å; R87-N89 VanDerWaalsContact C-N 3.34Å; R87-N89 PolarHBondContact O-N 3.24Å; N89-V91 VanDerWaalsContact C-N 3.3Å; N89-V91 PolarHBondContact O-N 2.98Å; N89-N92 CarbonylContact O-C 3.57Å; N89-N92 WeakPolarHBondContact O-CA 3.45Å; N89-N92 WeakPolarHBondContact O-CB 3.37Å; N89-N92 PolarHBondContact O-N 3.26Å; N89-T93 PolarHBondContact O-N 3.14Å; N89-T93 PolarHBondContact O-OG1 3.21Å |
| 90 | S | 98.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 85 Ų | 85 | 56% | 0.559 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -53.7 | -45.3 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | D86 R87 N92 T93 A94 | D86-S90 PolarHBondContact O-N 3.17Å; R87-S90 PolarHBondContact O-N 3.24Å; S90-N92 PolarHBondContact O-N 3.43Å; S90-T93 PolarHBondContact O-N 3.18Å; S90-A94 PolarHBondContact O-N 2.83Å; S90-A94 VanDerWaalsContact O-N 3.08Å |
| 91 | V | 98.3 | Very high | 97.7 | Very high | 73 Ų | 73 | 88.3 Ų | 88.3 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | R87 T88 N89 A94 F95 | R87-V91 WeakPolarHBondContact O-CG2 3.31Å; R87-V91 PolarHBondContact O-N 3.1Å; R87-V91 VanDerWaalsContact O-N 3.16Å; T88-V91 PolarHBondContact O-N 3.19Å; N89-V91 VanDerWaalsContact C-N 3.3Å; N89-V91 PolarHBondContact O-N 2.98Å; V91-A94 PolarHBondContact O-N 3.18Å; V91-F95 HydrophobicContact CG1-CD2 4.1Å; V91-F95 HydrophobicContact CG1-CE2 4.3Å; V91-F95 PolarHBondContact O-N 2.91Å |
| 92 | N | 97.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 85 Ų | 85 | 29% | 0.289 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -34.7 | 178.2 | -69.8 | -30.3 | 0 | 0 | 0 | 112.4 | T88 N89 S90 F95 T96 K113 | T88-N92 VanDerWaalsContact O-CG 3.29Å; T88-N92 PolarHBondContact O-N 3.09Å; T88-N92 PolarHBondContact O-ND2 3.5Å; N89-N92 CarbonylContact O-C 3.57Å; N89-N92 WeakPolarHBondContact O-CA 3.45Å; N89-N92 WeakPolarHBondContact O-CB 3.37Å; N89-N92 PolarHBondContact O-N 3.26Å; S90-N92 PolarHBondContact O-N 3.43Å; N92-F95 PolarHBondContact O-N 3.04Å; N92-T96 PolarHBondContact O-N 2.76Å; N92-T96 PolarHBondContact O-OG1 3.07Å; N92-K113 WeakPolarHBondContact OD1-CE 3.37Å; N92-K113 PolarHBondContact OD1-NZ 2.07Å |
| 93 | T | 98.2 | Very high | 97.4 | Very high | 83 Ų | 83 | 86.4 Ų | 86.4 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 171.9 | -50.1 | 0 | 0 | 0 | 0 | 110.4 | N89 S90 F95 T96 A97 | N89-T93 PolarHBondContact O-N 3.14Å; N89-T93 PolarHBondContact O-OG1 3.21Å; S90-T93 PolarHBondContact O-N 3.18Å; T93-F95 PolarHBondContact O-N 3.24Å; T93-T96 WeakPolarHBondContact O-CB 3.26Å; T93-T96 PolarHBondContact O-N 2.77Å; T93-T96 VanDerWaalsContact O-N 3.08Å; T93-A97 PolarHBondContact O-N 3.44Å |
| 94 | A | 98 | Very high | 97.1 | Very high | 63 Ų | 63 | 79.5 Ų | 79.5 | 52% | 0.521 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S90 V91 T96 A97 L98 | S90-A94 PolarHBondContact O-N 2.83Å; S90-A94 VanDerWaalsContact O-N 3.08Å; V91-A94 PolarHBondContact O-N 3.18Å; A94-T96 VanDerWaalsContact C-N 3.27Å; A94-T96 PolarHBondContact O-N 3.11Å; A94-A97 PolarHBondContact O-N 3.08Å; A94-L98 WeakPolarHBondContact O-CB 3.3Å; A94-L98 PolarHBondContact O-N 3.44Å |
| 95 | F | 98.2 | Very high | 96.6 | Very high | 36 Ų | 36 | 83.6 Ų | 83.6 | 16% | 0.158 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 172.6 | -101.4 | -81.3 | 0 | 0 | 0 | 112.4 | V91 N92 T93 L98 R99 K113 T116 L117 | V91-F95 HydrophobicContact CG1-CD2 4.1Å; V91-F95 HydrophobicContact CG1-CE2 4.3Å; V91-F95 PolarHBondContact O-N 2.91Å; N92-F95 PolarHBondContact O-N 3.04Å; T93-F95 PolarHBondContact O-N 3.24Å; F95-L98 PolarHBondContact O-N 3Å; F95-R99 WeakPolarHBondContact O-CG 3.24Å; F95-R99 PolarHBondContact O-N 3.22Å; F95-R99 VanDerWaalsContact O-N 3.12Å; F95-K113 HydrophobicContact CD1-CB 4.39Å; F95-K113 HydrophobicContact CD1-CG 4.11Å; F95-K113 HydrophobicContact CE1-CB 3.83Å; F95-K113 HydrophobicContact CE1-CG 3.98Å; F95-K113 HydrophobicContact CG-CG 4.49Å; F95-K113 HydrophobicContact CZ-CB 4.12Å; F95-K113 HydrophobicContact CZ-CD 4.5Å; F95-K113 HydrophobicContact CZ-CG 4.24Å; F95-T116 HydrophobicContact CD1-CG2 4.15Å; F95-T116 HydrophobicContact CE1-CG2 4.41Å; F95-L117 HydrophobicContact CE1-CD2 4.19Å; F95-L117 HydrophobicContact CE1-CG 4.13Å; F95-L117 HydrophobicContact CZ-CD1 4.3Å; F95-L117 HydrophobicContact CZ-CD2 4.09Å; F95-L117 HydrophobicContact CZ-CG 4.17Å |
| 96 | T | 97.1 | Very high | 96.1 | Very high | 78 Ų | 78 | 79.4 Ų | 79.4 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 179.3 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | N92 T93 A94 L98 R99 T100 | N92-T96 PolarHBondContact O-N 2.76Å; N92-T96 PolarHBondContact O-OG1 3.07Å; T93-T96 WeakPolarHBondContact O-CB 3.26Å; T93-T96 PolarHBondContact O-N 2.77Å; T93-T96 VanDerWaalsContact O-N 3.08Å; A94-T96 VanDerWaalsContact C-N 3.27Å; A94-T96 PolarHBondContact O-N 3.11Å; T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 3.3Å; T96-R99 WeakPolarHBondContact O-CB 3.38Å; T96-R99 PolarHBondContact O-N 2.83Å; T96-R99 PolarHBondContact OG1-NH1 3.4Å; T96-T100 PolarHBondContact O-N 3.44Å |
| 97 | A | 97.5 | Very high | 95.5 | Very high | 56 Ų | 56 | 78.9 Ų | 78.9 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T93 A94 R99 T100 | T93-A97 PolarHBondContact O-N 3.44Å; A94-A97 PolarHBondContact O-N 3.08Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 2.89Å; A97-T100 PolarHBondContact O-N 3.46Å; A97-T100 PolarHBondContact O-OG1 2.92Å |
| 98 | L | 97.9 | Very high | 95 | Very high | 59 Ų | 59 | 77 Ų | 77 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 176.4 | -177.3 | 58.4 | 0 | 0 | 0 | 112.1 | A94 F95 T96 T100 L101 I102 T116 A120 | A94-L98 WeakPolarHBondContact O-CB 3.3Å; A94-L98 PolarHBondContact O-N 3.44Å; F95-L98 PolarHBondContact O-N 3Å; T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 3.3Å; L98-T100 VanDerWaalsContact C-N 3.29Å; L98-T100 PolarHBondContact O-N 3.17Å; L98-L101 PolarHBondContact O-N 3.41Å; L98-I102 HydrophobicContact CG-CD1 4.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-T116 HydrophobicContact CB-CG2 4.25Å; L98-T116 HydrophobicContact CD2-CG2 3.73Å; L98-T116 HydrophobicContact CG-CG2 3.78Å; L98-A120 HydrophobicContact CD1-CB 4.24Å; L98-A120 HydrophobicContact CD2-CB 4.3Å |
| 99 | R | 96.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 79.6 Ų | 79.6 | 29% | 0.287 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -35 | 177.9 | -71 | 175.4 | -172 | 115.5 | -5.7 | 112.7 | F95 T96 A97 L101 I102 L111 T116 | F95-R99 WeakPolarHBondContact O-CG 3.24Å; F95-R99 PolarHBondContact O-N 3.22Å; F95-R99 VanDerWaalsContact O-N 3.12Å; T96-R99 WeakPolarHBondContact O-CB 3.38Å; T96-R99 PolarHBondContact O-N 2.83Å; T96-R99 PolarHBondContact OG1-NH1 3.4Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 2.89Å; R99-L101 PolarHBondContact O-N 3.08Å; R99-I102 PolarHBondContact O-N 2.88Å; R99-L111 HydrophobicContact CG-CB 4.29Å; R99-L111 PolarHBondContact NE-O 3.41Å; R99-L111 PolarHBondContact NH2-O 2.86Å; R99-T116 HydrophobicContact CG-CG2 3.94Å |
| 100 | T | 95.4 | Very high | 94.5 | Very high | 113 Ų | 113 | 83.8 Ų | 83.8 | 69% | 0.693 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.4 | -16.1 | -179.3 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | T96 A97 L98 | T96-T100 PolarHBondContact O-N 3.44Å; A97-T100 PolarHBondContact O-N 3.46Å; A97-T100 PolarHBondContact O-OG1 2.92Å; L98-T100 VanDerWaalsContact C-N 3.29Å; L98-T100 PolarHBondContact O-N 3.17Å |
| 101 | L | 95.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 80.4 Ų | 80.4 | 64% | 0.644 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -10.9 | 179.8 | -61.1 | 176.6 | 0 | 0 | 0 | 113.3 | L98 R99 P103 | L98-L101 PolarHBondContact O-N 3.41Å; R99-L101 PolarHBondContact O-N 3.08Å; L101-P103 WeakPolarHBondContact O-CD 3.43Å |
| 102 | I | 95.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 79.2 Ų | 79.2 | 5% | 0.046 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -92.3 | 118 | -177.5 | -64.4 | 164.1 | 0 | 0 | 0 | 109.3 | L98 R99 T104 L111 T116 L119 A120 | L98-I102 HydrophobicContact CG-CD1 4.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; R99-I102 PolarHBondContact O-N 2.88Å; I102-T104 HydrophobicContact CG2-CG2 4.13Å; I102-T104 PolarHBondContact O-N 3.46Å; I102-L111 HydrophobicContact CB-CD1 4.31Å; I102-L111 HydrophobicContact CD1-CD1 4.1Å; I102-L111 HydrophobicContact CG2-CD1 4.11Å; I102-T116 HydrophobicContact CD1-CG2 3.66Å; I102-T116 WeakPolarHBondContact CD1-O 3.48Å; I102-L119 HydrophobicContact CD1-CB 4.43Å; I102-L119 HydrophobicContact CG2-CB 3.72Å; I102-L119 HydrophobicContact CG2-CD1 4.18Å; I102-A120 HydrophobicContact CD1-CB 4.06Å; I102-A120 HydrophobicContact CG1-CB 4.45Å |
| 103 | P | 93.2 | Very high | 94.3 | Very high | 62 Ų | 62 | 81.5 Ų | 81.5 | 40% | 0.403 | 45% | 0.452 | S | S | . | . | trans | -65.6 | 121.8 | 175.7 | -19.9 | 32.8 | 0 | 0 | 0 | 110.8 | L101 Y123 F181 | L101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-Y123 VanDerWaalsContact CD-CE1 3.49Å; P103-Y123 HydrophobicContact CG-CD2 4.3Å; P103-Y123 HydrophobicContact CG-CE1 3.95Å; P103-Y123 HydrophobicContact CG-CE2 3.71Å; P103-Y123 VanDerWaalsContact CG-CZ 3.5Å; P103-F181 HydrophobicContact CB-CE1 4.45Å; P103-F181 WeakPolarHBondContact O-CE1 3.28Å | ||
| 104 | T | 91.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 82.1 Ų | 82.1 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | trans | -131.1 | 155.2 | 175.4 | 54 | 0 | 0 | 0 | 0 | 110.6 | I102 P106 A107 L111 L119 | I102-T104 HydrophobicContact CG2-CG2 4.13Å; I102-T104 PolarHBondContact O-N 3.46Å; T104-P106 CarbonylContact C-O 3.42Å; T104-P106 CarbonylContact O-C 3.44Å; T104-P106 PolarHBondContact OG1-O 3.44Å; T104-A107 PolarHBondContact O-N 3.27Å; T104-L111 HydrophobicContact CG2-CD1 4Å; T104-L111 HydrophobicContact CG2-CD2 4.12Å; T104-L111 HydrophobicContact CG2-CG 4.35Å; T104-L119 HydrophobicContact CG2-CD1 4.27Å | ||
| 105 | E | 88.1 | Confident | 94.2 | Very high | 165 Ų | 165 | 82 Ų | 82 | 77% | 0.771 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -123.4 | 115.9 | 173.8 | -166.1 | 170.4 | -164.5 | 0 | 0 | 107.3 | ||
| 106 | P | 87 | Confident | 94.2 | Very high | 79 Ų | 79 | 80.3 Ų | 80.3 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | S | Bend | cis | -71.1 | 161.7 | -4.5 | 35.4 | -38.9 | 0 | 0 | 0 | 113 | T104 D108 R109 | T104-P106 CarbonylContact C-O 3.42Å; T104-P106 CarbonylContact O-C 3.44Å; T104-P106 PolarHBondContact OG1-O 3.44Å; P106-D108 VanDerWaalsContact CB-OD1 3.3Å; P106-D108 WeakPolarHBondContact CB-OD1 3.45Å; P106-D108 PolarHBondContact O-N 3.06Å; P106-R109 VanDerWaalsContact O-CB 3.25Å; P106-R109 WeakPolarHBondContact O-CB 3.37Å; P106-R109 PolarHBondContact O-N 3.13Å; P106-R109 VanDerWaalsContact O-N 3.14Å |
| 107 | A | 85.9 | Confident | 94.3 | Very high | 96 Ų | 96 | 80.6 Ų | 80.6 | 79% | 0.793 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | T104 | T104-A107 PolarHBondContact O-N 3.27Š|
| 108 | D | 88.5 | Confident | 94.2 | Very high | 118 Ų | 118 | 86.6 Ų | 86.6 | 63% | 0.631 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 5.1 | 178.6 | 64.5 | -47.4 | 0 | 0 | 0 | 113.2 | P106 K110 | P106-D108 VanDerWaalsContact CB-OD1 3.3Å; P106-D108 WeakPolarHBondContact CB-OD1 3.45Å; P106-D108 PolarHBondContact O-N 3.06Å; D108-K110 PolarHBondContact O-N 2.82Å |
| 109 | R | 93.2 | Very high | 94 | Very high | 117 Ų | 117 | 85.4 Ų | 85.4 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 122.3 | 179.1 | 178.7 | 179.2 | 170.7 | 174.6 | -2.8 | 111.1 | P106 L111 E115 | P106-R109 VanDerWaalsContact O-CB 3.25Å; P106-R109 WeakPolarHBondContact O-CB 3.37Å; P106-R109 PolarHBondContact O-N 3.13Å; P106-R109 VanDerWaalsContact O-N 3.14Å; R109-L111 HydrophobicContact CG-CD2 4.21Å; R109-L111 PolarHBondContact O-N 3.42Å; R109-E115 IonicContact CZ-OE1 3.92Å; R109-E115 IonicContact NH2-OE1 2.68Å; R109-E115 PolarHBondContact NH2-OE1 3.31Å |
| 110 | K | 93.2 | Very high | 94 | Very high | 188 Ų | 188 | 82.3 Ų | 82.3 | 82% | 0.817 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -77 | 116.9 | 174.2 | -56.1 | -58 | -178.8 | -173.9 | 0 | 110.2 | D108 | D108-K110 PolarHBondContact O-N 2.82Š|
| 111 | L | 94.9 | Very high | 94 | Very high | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 128.7 | 177 | -60.8 | 176.8 | 0 | 0 | 0 | 111.3 | R99 I102 T104 R109 E115 T116 L119 | R99-L111 HydrophobicContact CG-CB 4.29Å; R99-L111 PolarHBondContact NE-O 3.41Å; R99-L111 PolarHBondContact NH2-O 2.86Å; I102-L111 HydrophobicContact CB-CD1 4.31Å; I102-L111 HydrophobicContact CD1-CD1 4.1Å; I102-L111 HydrophobicContact CG2-CD1 4.11Å; T104-L111 HydrophobicContact CG2-CD1 4Å; T104-L111 HydrophobicContact CG2-CD2 4.12Å; T104-L111 HydrophobicContact CG2-CG 4.35Å; R109-L111 HydrophobicContact CG-CD2 4.21Å; R109-L111 PolarHBondContact O-N 3.42Å; L111-E115 HydrophobicContact CB-CB 4.44Å; L111-E115 HydrophobicContact CD2-CB 4.29Å; L111-T116 WeakPolarHBondContact CB-OG1 3.39Å; L111-L119 HydrophobicContact CD1-CD1 3.87Å; L111-L119 HydrophobicContact CD2-CD1 3.59Å; L111-L119 HydrophobicContact CG-CD1 4.38Å |
| 112 | S | 97.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 76.1 Ų | 76.1 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -63 | 165.4 | 166.5 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | I114 E115 T116 | S112-I114 VanDerWaalsContact C-N 3.3Å; S112-I114 PolarHBondContact O-N 3.38Å; S112-I114 WeakPolarHBondContact OG-CG2 3.16Å; S112-E115 VanDerWaalsContact CB-OE2 3.22Å; S112-E115 WeakPolarHBondContact CB-OE2 3.46Å; S112-E115 PolarHBondContact N-OE2 2.78Å; S112-E115 PolarHBondContact O-N 3.38Å; S112-E115 WeakPolarHBondContact OG-CB 3.34Å; S112-E115 VanDerWaalsContact OG-CG 3.24Å; S112-E115 WeakPolarHBondContact OG-CG 3.35Å; S112-E115 PolarHBondContact OG-N 3.48Å; S112-E115 PolarHBondContact OG-OE2 3.18Å; S112-T116 WeakPolarHBondContact O-CB 3.12Å; S112-T116 PolarHBondContact O-N 2.9Å; S112-T116 PolarHBondContact O-OG1 2.65Å |
| 113 | K | 97.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 78.6 Ų | 78.6 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 178.8 | -71.4 | -174.8 | 175.3 | -175.2 | 0 | 111.7 | N92 F95 T116 L117 | N92-K113 WeakPolarHBondContact OD1-CE 3.37Å; N92-K113 PolarHBondContact OD1-NZ 2.07Å; F95-K113 HydrophobicContact CD1-CB 4.39Å; F95-K113 HydrophobicContact CD1-CG 4.11Å; F95-K113 HydrophobicContact CE1-CB 3.83Å; F95-K113 HydrophobicContact CE1-CG 3.98Å; F95-K113 HydrophobicContact CG-CG 4.49Å; F95-K113 HydrophobicContact CZ-CB 4.12Å; F95-K113 HydrophobicContact CZ-CD 4.5Å; F95-K113 HydrophobicContact CZ-CG 4.24Å; K113-T116 PolarHBondContact O-N 3.37Å; K113-L117 WeakPolarHBondContact O-CG 3.03Å; K113-L117 PolarHBondContact O-N 2.9Å |
| 114 | I | 98.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 80.5 Ų | 80.5 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | -179.2 | -172.4 | 60.7 | 0 | 0 | 0 | 112.3 | S112 L117 R118 | S112-I114 VanDerWaalsContact C-N 3.3Å; S112-I114 PolarHBondContact O-N 3.38Å; S112-I114 WeakPolarHBondContact OG-CG2 3.16Å; I114-L117 PolarHBondContact O-N 2.84Å; I114-R118 WeakPolarHBondContact O-CG 3.48Å; I114-R118 PolarHBondContact O-N 2.96Å |
| 115 | E | 96.2 | Very high | 93.8 | Very high | 62 Ų | 62 | 80.9 Ų | 80.9 | 29% | 0.29 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 176.1 | -72.6 | 169.8 | 111.8 | 0 | 0 | 111.4 | R109 L111 S112 L117 R118 L119 | R109-E115 IonicContact CZ-OE1 3.92Å; R109-E115 IonicContact NH2-OE1 2.68Å; R109-E115 PolarHBondContact NH2-OE1 3.31Å; L111-E115 HydrophobicContact CB-CB 4.44Å; L111-E115 HydrophobicContact CD2-CB 4.29Å; S112-E115 VanDerWaalsContact CB-OE2 3.22Å; S112-E115 WeakPolarHBondContact CB-OE2 3.46Å; S112-E115 PolarHBondContact N-OE2 2.78Å; S112-E115 PolarHBondContact O-N 3.38Å; S112-E115 WeakPolarHBondContact OG-CB 3.34Å; S112-E115 VanDerWaalsContact OG-CG 3.24Å; S112-E115 WeakPolarHBondContact OG-CG 3.35Å; S112-E115 PolarHBondContact OG-N 3.48Å; S112-E115 PolarHBondContact OG-OE2 3.18Å; E115-L117 VanDerWaalsContact C-N 3.28Å; E115-L117 PolarHBondContact O-N 3.16Å; E115-R118 PolarHBondContact O-N 3.1Å; E115-L119 WeakPolarHBondContact O-CB 3.25Å; E115-L119 WeakPolarHBondContact O-CG 3.34Å; E115-L119 PolarHBondContact O-N 3.33Å |
| 116 | T | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -54.9 | -47.2 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | F95 L98 R99 I102 L111 S112 K113 A120 | F95-T116 HydrophobicContact CD1-CG2 4.15Å; F95-T116 HydrophobicContact CE1-CG2 4.41Å; L98-T116 HydrophobicContact CB-CG2 4.25Å; L98-T116 HydrophobicContact CD2-CG2 3.73Å; L98-T116 HydrophobicContact CG-CG2 3.78Å; R99-T116 HydrophobicContact CG-CG2 3.94Å; I102-T116 HydrophobicContact CD1-CG2 3.66Å; I102-T116 WeakPolarHBondContact CD1-O 3.48Å; L111-T116 WeakPolarHBondContact CB-OG1 3.39Å; S112-T116 WeakPolarHBondContact O-CB 3.12Å; S112-T116 PolarHBondContact O-N 2.9Å; S112-T116 PolarHBondContact O-OG1 2.65Å; K113-T116 PolarHBondContact O-N 3.37Å; T116-A120 WeakPolarHBondContact O-CB 3.43Å; T116-A120 PolarHBondContact O-N 3.26Å |
| 117 | L | 97.9 | Very high | 94 | Very high | 84 Ų | 84 | 73.4 Ų | 73.4 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 178.5 | -65 | 176.2 | 0 | 0 | 0 | 112.4 | F95 K113 I114 E115 A120 S121 | F95-L117 HydrophobicContact CE1-CD2 4.19Å; F95-L117 HydrophobicContact CE1-CG 4.13Å; F95-L117 HydrophobicContact CZ-CD1 4.3Å; F95-L117 HydrophobicContact CZ-CD2 4.09Å; F95-L117 HydrophobicContact CZ-CG 4.17Å; K113-L117 WeakPolarHBondContact O-CG 3.03Å; K113-L117 PolarHBondContact O-N 2.9Å; I114-L117 PolarHBondContact O-N 2.84Å; E115-L117 VanDerWaalsContact C-N 3.28Å; E115-L117 PolarHBondContact O-N 3.16Å; L117-A120 PolarHBondContact O-N 3.37Å; L117-S121 PolarHBondContact O-N 3.12Å; L117-S121 PolarHBondContact O-OG 3.41Å; L117-S121 VanDerWaalsContact O-OG 3.12Å |
| 118 | R | 95.7 | Very high | 94.2 | Very high | 182 Ų | 182 | 69.3 Ų | 69.3 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 180 | -72.2 | 179.5 | 178.2 | -163.3 | 0.2 | 111.9 | I114 E115 S122 | I114-R118 WeakPolarHBondContact O-CG 3.48Å; I114-R118 PolarHBondContact O-N 2.96Å; E115-R118 PolarHBondContact O-N 3.1Å; R118-S122 WeakPolarHBondContact O-CB 2.86Å; R118-S122 PolarHBondContact O-N 3.41Å |
| 119 | L | 95.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 64.1 Ų | 64.1 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 179.5 | -70.7 | 175 | 0 | 0 | 0 | 111.6 | I102 T104 L111 E115 S121 S122 Y123 F181 | I102-L119 HydrophobicContact CD1-CB 4.43Å; I102-L119 HydrophobicContact CG2-CB 3.72Å; I102-L119 HydrophobicContact CG2-CD1 4.18Å; T104-L119 HydrophobicContact CG2-CD1 4.27Å; L111-L119 HydrophobicContact CD1-CD1 3.87Å; L111-L119 HydrophobicContact CD2-CD1 3.59Å; L111-L119 HydrophobicContact CG-CD1 4.38Å; E115-L119 WeakPolarHBondContact O-CB 3.25Å; E115-L119 WeakPolarHBondContact O-CG 3.34Å; E115-L119 PolarHBondContact O-N 3.33Å; L119-S121 PolarHBondContact O-N 3.11Å; L119-S122 PolarHBondContact O-N 3.43Å; L119-Y123 VanDerWaalsContact O-CB 3.23Å; L119-Y123 WeakPolarHBondContact O-CB 2.91Å; L119-Y123 PolarHBondContact O-N 3.33Å; L119-F181 HydrophobicContact CB-CZ 4.46Å; L119-F181 HydrophobicContact CD2-CZ 4.18Å |
| 120 | A | 96.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 61 Ų | 61 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L98 I102 T116 L117 S122 Y123 I124 | L98-A120 HydrophobicContact CD1-CB 4.24Å; L98-A120 HydrophobicContact CD2-CB 4.3Å; I102-A120 HydrophobicContact CD1-CB 4.06Å; I102-A120 HydrophobicContact CG1-CB 4.45Å; T116-A120 WeakPolarHBondContact O-CB 3.43Å; T116-A120 PolarHBondContact O-N 3.26Å; L117-A120 PolarHBondContact O-N 3.37Å; A120-S122 PolarHBondContact O-N 3.19Å; A120-Y123 PolarHBondContact O-N 2.93Å; A120-I124 VanDerWaalsContact O-CG1 3.26Å; A120-I124 WeakPolarHBondContact O-CG1 3.44Å; A120-I124 PolarHBondContact O-N 3.4Å |
| 121 | S | 94.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 178.2 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | L117 L119 Y123 S125 | L117-S121 PolarHBondContact O-N 3.12Å; L117-S121 PolarHBondContact O-OG 3.41Å; L117-S121 VanDerWaalsContact O-OG 3.12Å; L119-S121 PolarHBondContact O-N 3.11Å; S121-Y123 VanDerWaalsContact C-N 3.33Å; S121-S125 WeakPolarHBondContact O-CB 3.42Å; S121-S125 PolarHBondContact O-N 2.97Å; S121-S125 VanDerWaalsContact O-N 3.08Å; S121-S125 PolarHBondContact O-OG 2.96Å |
| 122 | S | 92.1 | Very high | 92.7 | Very high | 34 Ų | 34 | 63.6 Ų | 63.6 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | R118 L119 A120 S125 H126 | R118-S122 WeakPolarHBondContact O-CB 2.86Å; R118-S122 PolarHBondContact O-N 3.41Å; L119-S122 PolarHBondContact O-N 3.43Å; A120-S122 PolarHBondContact O-N 3.19Å; S122-S125 PolarHBondContact O-N 3.39Å; S122-H126 WeakPolarHBondContact O-CB 3.44Å; S122-H126 PolarHBondContact O-N 3.05Å |
| 123 | Y | 94.4 | Very high | 91.8 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.8 | -43.1 | 179.5 | -173.2 | -136.1 | 0 | 0 | 0 | 112.1 | P103 L119 A120 S121 S125 H126 L127 F181 | P103-Y123 VanDerWaalsContact CD-CE1 3.49Å; P103-Y123 HydrophobicContact CG-CD2 4.3Å; P103-Y123 HydrophobicContact CG-CE1 3.95Å; P103-Y123 HydrophobicContact CG-CE2 3.71Å; P103-Y123 VanDerWaalsContact CG-CZ 3.5Å; L119-Y123 VanDerWaalsContact O-CB 3.23Å; L119-Y123 WeakPolarHBondContact O-CB 2.91Å; L119-Y123 PolarHBondContact O-N 3.33Å; A120-Y123 PolarHBondContact O-N 2.93Å; S121-Y123 VanDerWaalsContact C-N 3.33Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-S125 PolarHBondContact O-N 3.08Å; Y123-H126 WeakPolarHBondContact O-CB 3.47Å; Y123-H126 PolarHBondContact O-N 3.42Å; Y123-L127 HydrophobicContact CD1-CD1 4.19Å; Y123-L127 HydrophobicContact CD2-CD1 4.43Å; Y123-L127 HydrophobicContact CD2-CG 4.1Å; Y123-L127 HydrophobicContact CE1-CD1 3.74Å; Y123-L127 HydrophobicContact CE1-CG 4.39Å; Y123-L127 HydrophobicContact CE2-CD1 3.98Å; Y123-L127 HydrophobicContact CE2-CD2 3.8Å; Y123-L127 HydrophobicContact CE2-CG 3.72Å; Y123-L127 WeakPolarHBondContact O-CG 3.4Å; Y123-L127 PolarHBondContact O-N 3.07Å; Y123-F181 HydrophobicContact CD2-CD1 4.04Å; Y123-F181 HydrophobicContact CD2-CD2 4.31Å; Y123-F181 HydrophobicContact CD2-CE1 4.06Å; Y123-F181 HydrophobicContact CD2-CE2 4.34Å; Y123-F181 HydrophobicContact CD2-CG 4.17Å; Y123-F181 HydrophobicContact CD2-CZ 4.23Å; Y123-F181 HydrophobicContact CG-CE1 4.39Å; Y123-F181 HydrophobicContact CG-CE2 4.42Å; Y123-F181 HydrophobicContact CG-CZ 4.21Å |
| 124 | I | 94.2 | Very high | 90.3 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57 | -46.8 | 172.6 | -68 | 163.7 | 0 | 0 | 0 | 110 | A120 H126 L127 G128 F150 | A120-I124 VanDerWaalsContact O-CG1 3.26Å; A120-I124 WeakPolarHBondContact O-CG1 3.44Å; A120-I124 PolarHBondContact O-N 3.4Å; I124-H126 VanDerWaalsContact C-N 3.32Å; I124-H126 PolarHBondContact O-N 3.49Å; I124-L127 PolarHBondContact O-N 3.12Å; I124-G128 PolarHBondContact O-N 3.32Å; I124-F150 HydrophobicContact CG2-CZ 4.28Å |
| 125 | S | 90.8 | Very high | 88.5 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | S121 S122 Y123 N129 F150 | S121-S125 WeakPolarHBondContact O-CB 3.42Å; S121-S125 PolarHBondContact O-N 2.97Å; S121-S125 VanDerWaalsContact O-N 3.08Å; S121-S125 PolarHBondContact O-OG 2.96Å; S122-S125 PolarHBondContact O-N 3.39Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-S125 PolarHBondContact O-N 3.08Å; S125-N129 VanDerWaalsContact O-CG 3.23Å; S125-N129 PolarHBondContact O-N 3.24Å; S125-N129 PolarHBondContact O-ND2 3.36Å; S125-F150 WeakPolarHBondContact OG-CE2 3.42Å |
| 126 | H | 89.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -51.8 | 177.2 | 175.9 | 74.8 | 0 | 0 | 0 | 111.7 | S122 Y123 I124 G128 N129 V130 F181 C182 | S122-H126 WeakPolarHBondContact O-CB 3.44Å; S122-H126 PolarHBondContact O-N 3.05Å; Y123-H126 WeakPolarHBondContact O-CB 3.47Å; Y123-H126 PolarHBondContact O-N 3.42Å; I124-H126 VanDerWaalsContact C-N 3.32Å; I124-H126 PolarHBondContact O-N 3.49Å; H126-G128 VanDerWaalsContact C-N 3.34Å; H126-G128 PolarHBondContact O-N 2.85Å; H126-N129 PolarHBondContact O-N 2.91Å; H126-N129 VanDerWaalsContact O-N 3.17Å; H126-V130 WeakPolarHBondContact O-CG2 3.23Å; H126-V130 PolarHBondContact O-N 3.5Å; H126-F181 HydrophobicContact CB-CB 4.2Å; H126-F181 HydrophobicContact CB-CD2 4.25Å; H126-C182 PolarHBondContact ND1-SG 2.8Å |
| 127 | L | 90.2 | Very high | 84.6 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 37% | 0.366 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 178.8 | -70.5 | -179.4 | 0 | 0 | 0 | 112 | Y123 I124 N129 V130 L131 | Y123-L127 HydrophobicContact CD1-CD1 4.19Å; Y123-L127 HydrophobicContact CD2-CD1 4.43Å; Y123-L127 HydrophobicContact CD2-CG 4.1Å; Y123-L127 HydrophobicContact CE1-CD1 3.74Å; Y123-L127 HydrophobicContact CE1-CG 4.39Å; Y123-L127 HydrophobicContact CE2-CD1 3.98Å; Y123-L127 HydrophobicContact CE2-CD2 3.8Å; Y123-L127 HydrophobicContact CE2-CG 3.72Å; Y123-L127 WeakPolarHBondContact O-CG 3.4Å; Y123-L127 PolarHBondContact O-N 3.07Å; I124-L127 PolarHBondContact O-N 3.12Å; L127-N129 VanDerWaalsContact C-N 3.33Å; L127-N129 PolarHBondContact O-N 3.46Å; L127-V130 WeakPolarHBondContact O-CB 3.49Å; L127-V130 PolarHBondContact O-N 2.94Å; L127-L131 WeakPolarHBondContact O-CG 3.39Å; L127-L131 PolarHBondContact O-N 3.04Å |
| 128 | G | 89.4 | Confident | 82.8 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 9% | 0.093 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -52.2 | -56.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | I124 H126 V130 L131 L132 F149 | I124-G128 PolarHBondContact O-N 3.32Å; H126-G128 VanDerWaalsContact C-N 3.34Å; H126-G128 PolarHBondContact O-N 2.85Å; G128-V130 VanDerWaalsContact C-N 3.27Å; G128-V130 PolarHBondContact O-N 2.85Å; G128-L131 WeakPolarHBondContact O-CA 3.49Å; G128-L131 WeakPolarHBondContact O-CB 3.38Å; G128-L131 PolarHBondContact O-N 3.3Å; G128-L132 PolarHBondContact O-N 3.36Å; G128-F149 VanDerWaalsContact CA-CE2 3.46Å; G128-F149 WeakPolarHBondContact O-CE2 3.46Å; G128-F149 WeakPolarHBondContact O-CZ 3.15Å |
| 129 | N | 86.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.053 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -35.1 | -177.8 | -66.4 | -21.1 | 0 | 0 | 0 | 113.2 | S125 H126 L127 L131 L132 A133 P142 G146 F149 | S125-N129 VanDerWaalsContact O-CG 3.23Å; S125-N129 PolarHBondContact O-N 3.24Å; S125-N129 PolarHBondContact O-ND2 3.36Å; H126-N129 PolarHBondContact O-N 2.91Å; H126-N129 VanDerWaalsContact O-N 3.17Å; L127-N129 VanDerWaalsContact C-N 3.33Å; L127-N129 PolarHBondContact O-N 3.46Å; N129-L131 VanDerWaalsContact C-N 3.33Å; N129-L132 PolarHBondContact O-N 3.35Å; N129-A133 VanDerWaalsContact O-CB 3.28Å; N129-A133 WeakPolarHBondContact O-CB 3.43Å; N129-A133 PolarHBondContact O-N 3.31Å; N129-P142 HydrophobicContact CB-CB 3.71Å; N129-P142 WeakPolarHBondContact CB-O 3.22Å; N129-G146 PolarHBondContact OD1-O 2.71Å; N129-F149 VanDerWaalsContact N-CE2 3.35Å; N129-F149 WeakPolarHBondContact OD1-CD2 3.35Å |
| 130 | V | 85.7 | Confident | 79.9 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 30% | 0.303 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | H126 L127 G128 L132 G134 P142 | H126-V130 WeakPolarHBondContact O-CG2 3.23Å; H126-V130 PolarHBondContact O-N 3.5Å; L127-V130 WeakPolarHBondContact O-CB 3.49Å; L127-V130 PolarHBondContact O-N 2.94Å; G128-V130 VanDerWaalsContact C-N 3.27Å; G128-V130 PolarHBondContact O-N 2.85Å; V130-L132 PolarHBondContact O-N 3.21Å; V130-G134 WeakPolarHBondContact O-CA 3.39Å; V130-G134 PolarHBondContact O-N 3.04Å; V130-G134 VanDerWaalsContact O-N 3.07Å; V130-P142 HydrophobicContact CG2-CB 4.01Å; V130-P142 HydrophobicContact CG2-CG 3.62Å |
| 131 | L | 85.6 | Confident | 78.8 | Confident | 145 Ų | 145 | 64 Ų | 64 | 76% | 0.759 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.8 | -35 | 179.4 | -66.4 | 173.1 | 0 | 0 | 0 | 112.8 | L127 G128 N129 | L127-L131 WeakPolarHBondContact O-CG 3.39Å; L127-L131 PolarHBondContact O-N 3.04Å; G128-L131 WeakPolarHBondContact O-CA 3.49Å; G128-L131 WeakPolarHBondContact O-CB 3.38Å; G128-L131 PolarHBondContact O-N 3.3Å; N129-L131 VanDerWaalsContact C-N 3.33Å |
| 132 | L | 82.3 | Confident | 77.7 | Confident | 106 Ų | 106 | 61 Ų | 61 | 56% | 0.555 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -79.3 | -45.5 | -179.9 | -176.3 | 63.8 | 0 | 0 | 0 | 113.3 | G128 N129 V130 G134 A148 F149 | G128-L132 PolarHBondContact O-N 3.36Å; N129-L132 PolarHBondContact O-N 3.35Å; V130-L132 PolarHBondContact O-N 3.21Å; L132-G134 PolarHBondContact O-N 3.37Å; L132-A148 HydrophobicContact CD2-CB 3.39Å; L132-F149 HydrophobicContact CB-CE2 3.7Å; L132-F149 HydrophobicContact CB-CZ 3.63Å; L132-F149 HydrophobicContact CD2-CE2 4.13Å; L132-F149 HydrophobicContact CD2-CZ 4.47Å |
| 133 | A | 78.2 | Confident | 76.9 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 22% | 0.223 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69 | -20.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N129 C137 | N129-A133 VanDerWaalsContact O-CB 3.28Å; N129-A133 WeakPolarHBondContact O-CB 3.43Å; N129-A133 PolarHBondContact O-N 3.31Å; A133-C137 HydrophobicContact CB-CB 4.24Å |
| 134 | G | 66.1 | Low | 75.8 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | trans | 69 | 167.4 | -167 | 0 | 0 | 0 | 0 | 0 | 111.5 | V130 L132 A136 C137 | V130-G134 WeakPolarHBondContact O-CA 3.39Å; V130-G134 PolarHBondContact O-N 3.04Å; V130-G134 VanDerWaalsContact O-N 3.07Å; L132-G134 PolarHBondContact O-N 3.37Å; G134-A136 PolarHBondContact O-N 2.85Å; G134-C137 PolarHBondContact O-N 3.32Å | ||
| 135 | E | 59.5 | Low | 74.4 | Confident | 191 Ų | 191 | 59.1 Ų | 59.1 | 89% | 0.893 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10.1 | 172.1 | -68.4 | 170.9 | 142.4 | 0 | 0 | 112.5 | C137 | E135-C137 VanDerWaalsContact C-N 3.3Å; E135-C137 PolarHBondContact O-N 3.1Å |
| 136 | A | 56.4 | Low | 73 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 79% | 0.785 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | G134 G138 | G134-A136 PolarHBondContact O-N 2.85Å; A136-G138 PolarHBondContact O-N 3.21Å |
| 137 | C | 55.4 | Low | 71.6 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 37% | 0.372 | 38% | 0.382 | S | S | . | . | trans | -74.9 | 74.3 | 166 | -82.5 | 0 | 0 | 0 | 0 | 109.7 | A133 G134 E135 D139 G140 | A133-C137 HydrophobicContact CB-CB 4.24Å; G134-C137 PolarHBondContact O-N 3.32Å; E135-C137 VanDerWaalsContact C-N 3.3Å; E135-C137 PolarHBondContact O-N 3.1Å; C137-D139 PolarHBondContact O-N 3.32Å; C137-G140 PolarHBondContact O-N 3.44Å; C137-G140 VanDerWaalsContact O-N 3.07Å | ||
| 138 | G | 59.6 | Low | 70 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 60% | 0.598 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -12.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A136 G140 | A136-G138 PolarHBondContact O-N 3.21Å; G138-G140 PolarHBondContact O-N 3.08Å |
| 139 | D | 64.5 | Low | 68.2 | Low | 123 Ų | 123 | 63.5 Ų | 63.5 | 66% | 0.658 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -5.2 | 176.9 | -53.7 | -52.9 | 0 | 0 | 0 | 113.5 | C137 Q141 | C137-D139 PolarHBondContact O-N 3.32Å; D139-Q141 PolarHBondContact O-N 3.02Å |
| 140 | G | 65.9 | Low | 66.8 | Low | 5 Ų | 5 | 69 Ų | 69 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | S | Bend | trans | 66.9 | 22.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C137 G138 P142 | C137-G140 PolarHBondContact O-N 3.44Å; C137-G140 VanDerWaalsContact O-N 3.07Å; G138-G140 PolarHBondContact O-N 3.08Å; G140-P142 WeakPolarHBondContact O-CD 3.26Å |
| 141 | Q | 73.6 | Confident | 65.3 | Low | 43 Ų | 43 | 72.1 Ų | 72.1 | 20% | 0.201 | 43% | 0.427 | C | S | . | . | trans | -115.7 | 58.8 | -178.5 | -71 | -177.2 | -45.4 | 0 | 0 | 113.6 | D139 C143 H144 | D139-Q141 PolarHBondContact O-N 3.02Å; Q141-C143 PolarHBondContact O-N 3.34Å; Q141-H144 HydrophobicContact CB-CB 4.46Å; Q141-H144 PolarHBondContact NE2-CE1 2.98Å; Q141-H144 PolarHBondContact NE2-NE2 2.92Å; Q141-H144 WeakPolarHBondContact O-CB 3.22Å; Q141-H144 PolarHBondContact O-N 3.33Å; Q141-H144 VanDerWaalsContact O-N 3.09Å; Q141-H144 PolarHBondContact OE1-CE1 2.98Å; Q141-H144 PolarHBondContact OE1-ND1 2.98Å | ||
| 142 | P | 72.7 | Confident | 63.6 | Low | 7 Ų | 7 | 69 Ų | 69 | 5% | 0.045 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -63.1 | -29.6 | 177.8 | 29.7 | -37.5 | 0 | 0 | 0 | 111.8 | N129 V130 G140 H144 S145 | N129-P142 HydrophobicContact CB-CB 3.71Å; N129-P142 WeakPolarHBondContact CB-O 3.22Å; V130-P142 HydrophobicContact CG2-CB 4.01Å; V130-P142 HydrophobicContact CG2-CG 3.62Å; G140-P142 WeakPolarHBondContact O-CD 3.26Å; P142-H144 PolarHBondContact O-N 2.83Å; P142-H144 VanDerWaalsContact O-N 3.1Å; P142-S145 PolarHBondContact O-N 2.88Å |
| 143 | C | 75 | Confident | 62.1 | Low | 25 Ų | 25 | 68.1 Ų | 68.1 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -65.7 | -8.6 | 176.6 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | Q141 C182 | Q141-C143 PolarHBondContact O-N 3.34Å; C143-C182 WeakPolarHBondContact CB-SG 3.46Å; C143-C182 WeakPolarHBondContact SG-CB 3.24Å; C143-C182 CovalentContact SG-SG 2.07Å; C143-C182 PolarHBondContact SG-SG 2.68Å |
| 144 | H | 70.3 | Confident | 60.7 | Low | 65 Ų | 65 | 74.8 Ų | 74.8 | 30% | 0.301 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -77.5 | -24.5 | 173.9 | -72.9 | -168.5 | 0 | 0 | 0 | 113.6 | Q141 P142 G146 I178 | Q141-H144 HydrophobicContact CB-CB 4.46Å; Q141-H144 PolarHBondContact NE2-CE1 2.98Å; Q141-H144 PolarHBondContact NE2-NE2 2.92Å; Q141-H144 WeakPolarHBondContact O-CB 3.22Å; Q141-H144 PolarHBondContact O-N 3.33Å; Q141-H144 VanDerWaalsContact O-N 3.09Å; Q141-H144 PolarHBondContact OE1-CE1 2.98Å; Q141-H144 PolarHBondContact OE1-ND1 2.98Å; P142-H144 PolarHBondContact O-N 2.83Å; P142-H144 VanDerWaalsContact O-N 3.1Å; H144-G146 PolarHBondContact O-N 3.47Å; H144-I178 WeakPolarHBondContact NE2-CD1 3.46Å; H144-I178 VanDerWaalsContact NE2-CG1 3.26Å; H144-I178 WeakPolarHBondContact NE2-CG1 3.45Å |
| 145 | S | 66.8 | Low | 60.1 | Low | 70 Ų | 70 | 78.2 Ų | 78.2 | 49% | 0.49 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -72.2 | 7.6 | -177.5 | -51.4 | 0 | 0 | 0 | 0 | 113.3 | P142 | P142-S145 PolarHBondContact O-N 2.88Š|
| 146 | G | 61.2 | Low | 59.8 | Low | 28 Ų | 28 | 72.8 Ų | 72.8 | 29% | 0.289 | 47% | 0.47 | S | S | . | . | trans | 76.1 | 162.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N129 H144 A148 | N129-G146 PolarHBondContact OD1-O 2.71Å; H144-G146 PolarHBondContact O-N 3.47Å; G146-A148 PolarHBondContact O-N 3.37Å | ||
| 147 | P | 58.4 | Low | 59.5 | Low | 76 Ų | 76 | 71.9 Ų | 71.9 | 49% | 0.494 | 46% | 0.458 | S | S | . | . | trans | -74.5 | 68.5 | 177.6 | 27 | -26.6 | 0 | 0 | 0 | 110.5 | F149 H151 | P147-F149 PolarHBondContact O-N 2.88Å; P147-H151 PolarHBondContact O-CD2 2.73Å | ||
| 148 | A | 56.4 | Low | 59.7 | Low | 36 Ų | 36 | 74.7 Ų | 74.7 | 30% | 0.298 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -33.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L132 G146 A152 | L132-A148 HydrophobicContact CD2-CB 3.39Å; G146-A148 PolarHBondContact O-N 3.37Å; A148-A152 VanDerWaalsContact O-CB 3.22Å; A148-A152 WeakPolarHBondContact O-CB 3.38Å; A148-A152 PolarHBondContact O-N 3.09Å; A148-A152 VanDerWaalsContact O-N 3.11Å |
| 149 | F | 53.3 | Low | 59.6 | Low | 88 Ų | 88 | 77.4 Ų | 77.4 | 39% | 0.386 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | -173.4 | -71.6 | -84.5 | 0 | 0 | 0 | 114.9 | G128 N129 L132 P147 | G128-F149 VanDerWaalsContact CA-CE2 3.46Å; G128-F149 WeakPolarHBondContact O-CE2 3.46Å; G128-F149 WeakPolarHBondContact O-CZ 3.15Å; N129-F149 VanDerWaalsContact N-CE2 3.35Å; N129-F149 WeakPolarHBondContact OD1-CD2 3.35Å; L132-F149 HydrophobicContact CB-CE2 3.7Å; L132-F149 HydrophobicContact CB-CZ 3.63Å; L132-F149 HydrophobicContact CD2-CE2 4.13Å; L132-F149 HydrophobicContact CD2-CZ 4.47Å; P147-F149 PolarHBondContact O-N 2.88Å |
| 150 | F | 55.7 | Low | 59.2 | Low | 125 Ų | 125 | 77 Ų | 77 | 55% | 0.548 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -90.3 | -16.2 | -175.9 | -65.2 | -70.9 | 0 | 0 | 0 | 113.3 | I124 S125 | I124-F150 HydrophobicContact CG2-CZ 4.28Å; S125-F150 WeakPolarHBondContact OG-CE2 3.42Å |
| 151 | H | 54.4 | Low | 58.8 | Low | 116 Ų | 116 | 82.2 Ų | 82.2 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -94.6 | -31.7 | 178.2 | -71.5 | -79.5 | 0 | 0 | 0 | 113.8 | P147 A153 R154 | P147-H151 PolarHBondContact O-CD2 2.73Å; H151-A153 PolarHBondContact O-N 3.29Å; H151-R154 PolarHBondContact O-N 3.16Å; H151-R154 VanDerWaalsContact O-N 3.1Å |
| 152 | A | 50.8 | Low | 58 | Low | 78 Ų | 78 | 85.6 Ų | 85.6 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A148 R154 | A148-A152 VanDerWaalsContact O-CB 3.22Å; A148-A152 WeakPolarHBondContact O-CB 3.38Å; A148-A152 PolarHBondContact O-N 3.09Å; A148-A152 VanDerWaalsContact O-N 3.11Å; A152-R154 VanDerWaalsContact C-N 3.25Å; A152-R154 PolarHBondContact O-N 3.35Å |
| 153 | A | 50.7 | Low | 57.3 | Low | 89 Ų | 89 | 90.6 Ų | 90.6 | 74% | 0.736 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -8.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H151 A155 | H151-A153 PolarHBondContact O-N 3.29Å; A153-A155 PolarHBondContact O-N 3.39Å; A153-A155 VanDerWaalsContact O-N 3.09Å |
| 154 | R | 48.6 | Very low | 56.6 | Low | 167 Ų | 167 | 94.8 Ų | 94.8 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | trans | -84 | 36.3 | 173.5 | -52.4 | -173.1 | 95.5 | -172.5 | 8.3 | 111.7 | H151 A152 G156 S157 | H151-R154 PolarHBondContact O-N 3.16Å; H151-R154 VanDerWaalsContact O-N 3.1Å; A152-R154 VanDerWaalsContact C-N 3.25Å; A152-R154 PolarHBondContact O-N 3.35Å; R154-G156 PolarHBondContact O-N 2.96Å; R154-S157 PolarHBondContact O-N 3.5Å | ||
| 155 | A | 53.3 | Low | 55.9 | Low | 102 Ų | 102 | 97.3 Ų | 97.3 | 84% | 0.843 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 3.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | A153 | A153-A155 PolarHBondContact O-N 3.39Å; A153-A155 VanDerWaalsContact O-N 3.09Å |
| 156 | G | 53.7 | Low | 55.4 | Low | 77 Ų | 77 | 99.2 Ų | 99.2 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 2.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R154 | R154-G156 PolarHBondContact O-N 2.96Š|
| 157 | S | 50.2 | Low | 55.1 | Low | 77 Ų | 77 | 102 Ų | 102 | 54% | 0.538 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -115.6 | 130.6 | 171 | -75.1 | 0 | 0 | 0 | 0 | 110.3 | R154 | R154-S157 PolarHBondContact O-N 3.5Š|
| 158 | P | 60.1 | Low | 54.9 | Low | 114 Ų | 114 | 109.9 Ų | 109.9 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 142.4 | 175.7 | 24.4 | -32.4 | 0 | 0 | 0 | 109.4 | ||
| 159 | P | 57.2 | Low | 54.6 | Low | 115 Ų | 115 | 115.1 Ų | 115.1 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 137.5 | 176.4 | 24.4 | -33.1 | 0 | 0 | 0 | 108.9 | ||
| 160 | P | 55.8 | Low | 54.5 | Low | 115 Ų | 115 | 114.3 Ų | 114.3 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 143.9 | 173.7 | 25.5 | -33 | 0 | 0 | 0 | 108.8 | ||
| 161 | P | 56.2 | Low | 54.4 | Low | 113 Ų | 113 | 117.9 Ų | 117.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 144 | 178.2 | 24.4 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 162 | P | 57.9 | Low | 54.3 | Low | 114 Ų | 114 | 118 Ų | 118 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 139.2 | 178.3 | 24.1 | -33.3 | 0 | 0 | 0 | 109.1 | ||
| 163 | P | 58.5 | Low | 54.6 | Low | 113 Ų | 113 | 119.5 Ų | 119.5 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 143.5 | 174.8 | 24.8 | -33 | 0 | 0 | 0 | 108.9 | ||
| 164 | P | 59.1 | Low | 54.7 | Low | 112 Ų | 112 | 121.9 Ų | 121.9 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 141 | 177.4 | 23.6 | -33.3 | 0 | 0 | 0 | 109.1 | ||
| 165 | P | 55.8 | Low | 55 | Low | 118 Ų | 118 | 118.5 Ų | 118.5 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 132.2 | 177.6 | 24 | -32.9 | 0 | 0 | 0 | 107.8 | A167 | P165-A167 PolarHBondContact O-N 3.49Å; P165-A167 VanDerWaalsContact O-N 3.16Å |
| 166 | P | 56.4 | Low | 55.3 | Low | 111 Ų | 111 | 120 Ų | 120 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130.1 | 178.8 | 23.3 | -32.2 | 0 | 0 | 0 | 107.7 | R168 | P166-R168 PolarHBondContact O-N 3.3Å; P166-R168 VanDerWaalsContact O-N 3.11Å |
| 167 | A | 55.8 | Low | 56 | Low | 87 Ų | 87 | 125.2 Ų | 125.2 | 72% | 0.719 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 124.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107 | P165 D169 | P165-A167 PolarHBondContact O-N 3.49Å; P165-A167 VanDerWaalsContact O-N 3.16Å; A167-D169 PolarHBondContact O-N 3.28Å |
| 168 | R | 52.7 | Low | 57.2 | Low | 240 Ų | 240 | 123.8 Ų | 123.8 | 91% | 0.906 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -72 | 66.7 | -168.7 | -65.8 | 175.8 | 63.5 | -169.1 | -0.1 | 110.5 | P166 | P166-R168 PolarHBondContact O-N 3.3Å; P166-R168 VanDerWaalsContact O-N 3.11Å |
| 169 | D | 50.9 | Low | 58.4 | Low | 147 Ų | 147 | 119.5 Ų | 119.5 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -142.7 | 108.8 | 172.7 | -67.6 | -68.7 | 0 | 0 | 0 | 109.3 | A167 | A167-D169 PolarHBondContact O-N 3.28Š| ||
| 170 | G | 49.9 | Very low | 59.8 | Low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 92.1 | 126.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N172 | G170-N172 PolarHBondContact O-N 2.81Š|
| 171 | E | 55.1 | Low | 61.5 | Low | 199 Ų | 199 | 113.5 Ų | 113.5 | 93% | 0.93 | 65% | 0.645 | S | S | * | * | trans | -61 | 57.2 | 162.7 | -72.2 | 172.8 | 65.8 | 0 | 0 | 111.1 | T173 | E171-T173 PolarHBondContact O-N 3.32Š| ||
| 172 | N | 51.2 | Low | 62.9 | Low | 119 Ų | 119 | 108.2 Ų | 108.2 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | trans | -85.5 | 65.7 | 167.7 | -160.8 | -7.6 | 0 | 0 | 0 | 107.1 | G170 Q174 | G170-N172 PolarHBondContact O-N 2.81Å; N172-Q174 PolarHBondContact O-N 2.94Å | ||
| 173 | T | 57.5 | Low | 64.2 | Low | 109 Ų | 109 | 105.7 Ų | 105.7 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | trans | -58.3 | 93 | 161.3 | -62.3 | 0 | 0 | 0 | 0 | 105.1 | E171 | E171-T173 PolarHBondContact O-N 3.32Š| ||
| 174 | Q | 51.8 | Low | 65.5 | Low | 139 Ų | 139 | 102.2 Ų | 102.2 | 65% | 0.65 | 57% | 0.568 | S | S | * | * | trans | -43 | 118.5 | 175.7 | -86.7 | -84.3 | -30.2 | 0 | 0 | 107 | N172 K176 | N172-Q174 PolarHBondContact O-N 2.94Å; Q174-K176 PolarHBondContact O-N 3.4Å | ||
| 175 | P | 56.3 | Low | 66.8 | Low | 97 Ų | 97 | 99.9 Ų | 99.9 | 63% | 0.63 | 55% | 0.55 | S | S | * | . | trans | -57.4 | 115.6 | -174.5 | 19.8 | -30 | 0 | 0 | 0 | 107.2 | Q177 | P175-Q177 PolarHBondContact O-N 3.47Š| ||
| 176 | K | 59.3 | Low | 68.1 | Low | 133 Ų | 133 | 97.8 Ų | 97.8 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | trans | -55.7 | 127.5 | -174.8 | -63.4 | -172.5 | -178.8 | -169.9 | 0 | 107.8 | Q174 I178 | Q174-K176 PolarHBondContact O-N 3.4Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 HydrophobicContact CB-CG1 4.49Å; K176-I178 PolarHBondContact O-N 3.04Å | ||
| 177 | Q | 68.5 | Low | 69.5 | Low | 186 Ų | 186 | 99.3 Ų | 99.3 | 87% | 0.869 | 52% | 0.521 | S | S | * | . | trans | -70.5 | 87.7 | -177.7 | -61.1 | -107.3 | -39.4 | 0 | 0 | 108.8 | P175 | P175-Q177 PolarHBondContact O-N 3.47Š| ||
| 178 | I | 74.8 | Confident | 70.8 | Confident | 47 Ų | 47 | 101.6 Ų | 101.6 | 24% | 0.241 | 52% | 0.515 | C | S | . | . | trans | -87.5 | 134.9 | -179.1 | -70.4 | 159.7 | 0 | 0 | 0 | 108.9 | H144 K176 C182 L183 | H144-I178 WeakPolarHBondContact NE2-CD1 3.46Å; H144-I178 VanDerWaalsContact NE2-CG1 3.26Å; H144-I178 WeakPolarHBondContact NE2-CG1 3.45Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 HydrophobicContact CB-CG1 4.49Å; K176-I178 PolarHBondContact O-N 3.04Å; I178-C182 HydrophobicContact CG2-CB 3.44Å; I178-C182 VanDerWaalsContact CG2-CB 3.44Å; I178-L183 HydrophobicContact CB-CD2 4.24Å; I178-L183 HydrophobicContact CB-CG 4.42Å; I178-L183 HydrophobicContact CG2-CD2 3.63Å; I178-L183 HydrophobicContact CG2-CG 3.63Å | ||
| 179 | C | 85.4 | Confident | 72.2 | Confident | 24 Ų | 24 | 93.9 Ų | 93.9 | 16% | 0.162 | 49% | 0.491 | C | S | . | . | trans | -74.1 | 154.1 | 177.5 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | F181 C182 L183 | C179-F181 PolarHBondContact O-N 3.12Å; C179-F181 VanDerWaalsContact O-N 3.07Å; C179-C182 WeakPolarHBondContact O-CB 3.45Å; C179-C182 PolarHBondContact O-N 3.3Å; C179-C182 PolarHBondContact SG-N 2.96Å; C179-C182 VanDerWaalsContact SG-N 3.43Å; C179-C182 PolarHBondContact SG-SG 3.25Å; C179-L183 PolarHBondContact O-N 2.99Å; C179-L183 VanDerWaalsContact O-N 3.1Å | ||
| 180 | T | 87.8 | Confident | 73.9 | Confident | 84 Ų | 84 | 89.2 Ų | 89.2 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -54.8 | -31.2 | 179.5 | -48.7 | 0 | 0 | 0 | 0 | 113 | S184 | T180-S184 WeakPolarHBondContact O-CB 3.43Å; T180-S184 PolarHBondContact O-N 3.07Å; T180-S184 PolarHBondContact O-OG 3.5Å |
| 181 | F | 89.5 | Confident | 75.5 | Confident | 21 Ų | 21 | 93.5 Ų | 93.5 | 9% | 0.092 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 177.6 | -53.7 | -70.5 | 0 | 0 | 0 | 112.4 | P103 L119 Y123 H126 C179 S184 N185 | P103-F181 HydrophobicContact CB-CE1 4.45Å; P103-F181 WeakPolarHBondContact O-CE1 3.28Å; L119-F181 HydrophobicContact CB-CZ 4.46Å; L119-F181 HydrophobicContact CD2-CZ 4.18Å; Y123-F181 HydrophobicContact CD2-CD1 4.04Å; Y123-F181 HydrophobicContact CD2-CD2 4.31Å; Y123-F181 HydrophobicContact CD2-CE1 4.06Å; Y123-F181 HydrophobicContact CD2-CE2 4.34Å; Y123-F181 HydrophobicContact CD2-CG 4.17Å; Y123-F181 HydrophobicContact CD2-CZ 4.23Å; Y123-F181 HydrophobicContact CG-CE1 4.39Å; Y123-F181 HydrophobicContact CG-CE2 4.42Å; Y123-F181 HydrophobicContact CG-CZ 4.21Å; H126-F181 HydrophobicContact CB-CB 4.2Å; H126-F181 HydrophobicContact CB-CD2 4.25Å; C179-F181 PolarHBondContact O-N 3.12Å; C179-F181 VanDerWaalsContact O-N 3.07Å; F181-S184 PolarHBondContact O-N 3.12Å; F181-N185 WeakPolarHBondContact O-CB 3.39Å; F181-N185 PolarHBondContact O-N 3.38Å |
| 182 | C | 86.5 | Confident | 77 | Confident | 1 Ų | 1 | 88.3 Ų | 88.3 | 1% | 0.007 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 172.9 | -72.9 | 0 | 0 | 0 | 0 | 111.3 | H126 C143 I178 C179 S184 N185 Q186 | H126-C182 PolarHBondContact ND1-SG 2.8Å; C143-C182 WeakPolarHBondContact CB-SG 3.46Å; C143-C182 WeakPolarHBondContact SG-CB 3.24Å; C143-C182 CovalentContact SG-SG 2.07Å; C143-C182 PolarHBondContact SG-SG 2.68Å; I178-C182 HydrophobicContact CG2-CB 3.44Å; I178-C182 VanDerWaalsContact CG2-CB 3.44Å; C179-C182 WeakPolarHBondContact O-CB 3.45Å; C179-C182 PolarHBondContact O-N 3.3Å; C179-C182 PolarHBondContact SG-N 2.96Å; C179-C182 VanDerWaalsContact SG-N 3.43Å; C179-C182 PolarHBondContact SG-SG 3.25Å; C182-S184 VanDerWaalsContact C-N 3.32Å; C182-S184 PolarHBondContact O-N 2.93Å; C182-N185 PolarHBondContact O-N 3.32Å; C182-Q186 WeakPolarHBondContact O-CB 3.39Å; C182-Q186 PolarHBondContact O-N 3.04Å |
| 183 | L | 85.6 | Confident | 78.6 | Confident | 62 Ų | 62 | 91.1 Ų | 91.1 | 33% | 0.325 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 178 | -68.2 | 175.8 | 0 | 0 | 0 | 112.1 | I178 C179 R187 | I178-L183 HydrophobicContact CB-CD2 4.24Å; I178-L183 HydrophobicContact CB-CG 4.42Å; I178-L183 HydrophobicContact CG2-CD2 3.63Å; I178-L183 HydrophobicContact CG2-CG 3.63Å; C179-L183 PolarHBondContact O-N 2.99Å; C179-L183 VanDerWaalsContact O-N 3.1Å; L183-R187 WeakPolarHBondContact O-CG 3.48Å; L183-R187 PolarHBondContact O-N 3.22Å; L183-R187 VanDerWaalsContact O-N 3.1Å; L183-R187 PolarHBondContact O-NE 3.19Å |
| 184 | S | 86.3 | Confident | 79.9 | Confident | 39 Ų | 39 | 90.5 Ų | 90.5 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 179.2 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | T180 F181 C182 R187 K188 | T180-S184 WeakPolarHBondContact O-CB 3.43Å; T180-S184 PolarHBondContact O-N 3.07Å; T180-S184 PolarHBondContact O-OG 3.5Å; F181-S184 PolarHBondContact O-N 3.12Å; C182-S184 VanDerWaalsContact C-N 3.32Å; C182-S184 PolarHBondContact O-N 2.93Å; S184-R187 PolarHBondContact OG-NH2 2.93Å; S184-K188 WeakPolarHBondContact O-CB 3.47Å; S184-K188 PolarHBondContact O-N 3.4Å; S184-K188 VanDerWaalsContact O-N 3.08Å |
| 185 | N | 86.2 | Confident | 81.7 | Confident | 63 Ų | 63 | 92.7 Ų | 92.7 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.3 | -161.7 | 53.6 | 0 | 0 | 0 | 112.3 | F181 C182 K188 L189 | F181-N185 WeakPolarHBondContact O-CB 3.39Å; F181-N185 PolarHBondContact O-N 3.38Å; C182-N185 PolarHBondContact O-N 3.32Å; N185-K188 WeakPolarHBondContact O-CB 3.48Å; N185-K188 PolarHBondContact O-N 3.46Å; N185-L189 VanDerWaalsContact O-CG 3.31Å; N185-L189 WeakPolarHBondContact O-CG 3.44Å; N185-L189 PolarHBondContact O-N 3.03Å |
| 186 | Q | 83.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.1 | -177 | 178.2 | 81 | 0 | 0 | 112.4 | C182 K188 L189 S190 | C182-Q186 WeakPolarHBondContact O-CB 3.39Å; C182-Q186 PolarHBondContact O-N 3.04Å; Q186-K188 PolarHBondContact O-N 2.91Å; Q186-L189 PolarHBondContact O-N 3.49Å; Q186-S190 PolarHBondContact O-N 3.16Å; Q186-S190 PolarHBondContact O-OG 2.95Å |
| 187 | R | 85.3 | Confident | 84.5 | Confident | 143 Ų | 143 | 91.7 Ų | 91.7 | 54% | 0.54 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 175.9 | -73.6 | -178.8 | -70.8 | -140.6 | 3.3 | 112.3 | L183 S184 S190 K191 | L183-R187 WeakPolarHBondContact O-CG 3.48Å; L183-R187 PolarHBondContact O-N 3.22Å; L183-R187 VanDerWaalsContact O-N 3.1Å; L183-R187 PolarHBondContact O-NE 3.19Å; S184-R187 PolarHBondContact OG-NH2 2.93Å; R187-S190 PolarHBondContact O-OG 2.73Å; R187-K191 WeakPolarHBondContact O-CB 3.43Å; R187-K191 PolarHBondContact O-N 3Å |
| 188 | K | 83.7 | Confident | 85.4 | Confident | 136 Ų | 136 | 86.2 Ų | 86.2 | 59% | 0.591 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.6 | -50 | 174.5 | -172.8 | 178.5 | 177 | -173.9 | 0 | 110.9 | S184 N185 Q186 S190 K191 D192 | S184-K188 WeakPolarHBondContact O-CB 3.47Å; S184-K188 PolarHBondContact O-N 3.4Å; S184-K188 VanDerWaalsContact O-N 3.08Å; N185-K188 WeakPolarHBondContact O-CB 3.48Å; N185-K188 PolarHBondContact O-N 3.46Å; Q186-K188 PolarHBondContact O-N 2.91Å; K188-S190 PolarHBondContact O-N 3.38Å; K188-K191 PolarHBondContact O-N 3.45Å; K188-D192 PolarHBondContact O-N 2.87Å |
| 189 | L | 81.8 | Confident | 85.8 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 179 | -70.3 | 170.7 | 0 | 0 | 0 | 113 | N185 Q186 D192 R193 | N185-L189 VanDerWaalsContact O-CG 3.31Å; N185-L189 WeakPolarHBondContact O-CG 3.44Å; N185-L189 PolarHBondContact O-N 3.03Å; Q186-L189 PolarHBondContact O-N 3.49Å; L189-D192 PolarHBondContact O-N 3.3Å; L189-R193 PolarHBondContact O-N 3.42Å; L189-R193 VanDerWaalsContact O-N 3.07Å |
| 190 | S | 85.4 | Confident | 85.6 | Confident | 50 Ų | 50 | 98.9 Ų | 98.9 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.1 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | Q186 R187 K188 D192 R193 D194 | Q186-S190 PolarHBondContact O-N 3.16Å; Q186-S190 PolarHBondContact O-OG 2.95Å; R187-S190 PolarHBondContact O-OG 2.73Å; K188-S190 PolarHBondContact O-N 3.38Å; S190-D192 VanDerWaalsContact C-N 3.33Å; S190-D192 PolarHBondContact O-N 2.96Å; S190-R193 WeakPolarHBondContact O-CA 3.41Å; S190-R193 WeakPolarHBondContact O-CB 3.48Å; S190-R193 PolarHBondContact O-N 3.47Å; S190-D194 PolarHBondContact O-N 3.37Å |
| 191 | K | 84.5 | Confident | 84.8 | Confident | 160 Ų | 160 | 102.1 Ų | 102.1 | 70% | 0.696 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 179.4 | -171.1 | 172.5 | -178 | 176.5 | 0 | 112.5 | R187 K188 R193 R195 | R187-K191 WeakPolarHBondContact O-CB 3.43Å; R187-K191 PolarHBondContact O-N 3Å; K188-K191 PolarHBondContact O-N 3.45Å; K191-R193 VanDerWaalsContact C-N 3.34Å; K191-R195 WeakPolarHBondContact O-CB 3.44Å; K191-R195 PolarHBondContact O-N 3.21Å; K191-R195 VanDerWaalsContact O-N 3.07Å |
| 192 | D | 86 | Confident | 84.6 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 173.8 | -85.1 | -60.8 | 0 | 0 | 0 | 111.9 | K188 L189 S190 K196 | K188-D192 PolarHBondContact O-N 2.87Å; L189-D192 PolarHBondContact O-N 3.3Å; S190-D192 VanDerWaalsContact C-N 3.33Å; S190-D192 PolarHBondContact O-N 2.96Å; D192-K196 WeakPolarHBondContact O-CB 3.43Å; D192-K196 PolarHBondContact O-N 3.14Å |
| 193 | R | 84.4 | Confident | 84.5 | Confident | 177 Ų | 177 | 111.7 Ų | 111.7 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -44.3 | 176.5 | -165.3 | -179.8 | 75.9 | 176 | 4.4 | 112.4 | L189 S190 K191 R195 K196 T197 | L189-R193 PolarHBondContact O-N 3.42Å; L189-R193 VanDerWaalsContact O-N 3.07Å; S190-R193 WeakPolarHBondContact O-CA 3.41Å; S190-R193 WeakPolarHBondContact O-CB 3.48Å; S190-R193 PolarHBondContact O-N 3.47Å; K191-R193 VanDerWaalsContact C-N 3.34Å; R193-R195 VanDerWaalsContact C-N 3.35Å; R193-K196 WeakPolarHBondContact O-CB 3.47Å; R193-K196 PolarHBondContact O-N 3.12Å; R193-T197 PolarHBondContact O-N 3.02Å; R193-T197 PolarHBondContact O-OG1 3.31Å |
| 194 | D | 86.8 | Confident | 84.4 | Confident | 97 Ų | 97 | 114.5 Ų | 114.5 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.6 | -44 | 177.5 | -63.2 | -46.3 | 0 | 0 | 0 | 110.8 | S190 K196 T197 A198 | S190-D194 PolarHBondContact O-N 3.37Å; D194-K196 PolarHBondContact O-N 3.39Å; D194-T197 PolarHBondContact O-N 3.21Å; D194-A198 PolarHBondContact O-N 3.01Å |
| 195 | R | 88.7 | Confident | 84.3 | Confident | 184 Ų | 184 | 118.9 Ų | 118.9 | 69% | 0.694 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.5 | -41.2 | 175.7 | -171.5 | 169.9 | -174.5 | -173.4 | 1.3 | 112.5 | K191 R193 T197 A198 I199 | K191-R195 WeakPolarHBondContact O-CB 3.44Å; K191-R195 PolarHBondContact O-N 3.21Å; K191-R195 VanDerWaalsContact O-N 3.07Å; R193-R195 VanDerWaalsContact C-N 3.35Å; R195-T197 PolarHBondContact O-N 2.95Å; R195-A198 PolarHBondContact O-N 3.06Å; R195-I199 HydrophobicContact CG-CD1 4.3Å; R195-I199 WeakPolarHBondContact O-CD1 3.06Å; R195-I199 WeakPolarHBondContact O-CG1 3.37Å; R195-I199 PolarHBondContact O-N 3.25Å |
| 196 | K | 86.5 | Confident | 84.2 | Confident | 132 Ų | 132 | 122.4 Ų | 122.4 | 57% | 0.574 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.4 | -33.4 | 176.3 | -166.4 | 79.9 | 152 | -171.2 | 0 | 112.2 | D192 R193 D194 | D192-K196 WeakPolarHBondContact O-CB 3.43Å; D192-K196 PolarHBondContact O-N 3.14Å; R193-K196 WeakPolarHBondContact O-CB 3.47Å; R193-K196 PolarHBondContact O-N 3.12Å; D194-K196 PolarHBondContact O-N 3.39Å |
| 197 | T | 87.9 | Confident | 84.2 | Confident | 78 Ų | 78 | 125.7 Ų | 125.7 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -77.8 | -42.5 | -178.3 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | R193 D194 R195 I199 R200 S201 | R193-T197 PolarHBondContact O-N 3.02Å; R193-T197 PolarHBondContact O-OG1 3.31Å; D194-T197 PolarHBondContact O-N 3.21Å; R195-T197 PolarHBondContact O-N 2.95Å; T197-I199 PolarHBondContact O-N 2.98Å; T197-R200 PolarHBondContact O-N 3.29Å; T197-S201 PolarHBondContact O-N 2.84Å |
| 198 | A | 86.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 124.4 Ų | 124.4 | 59% | 0.587 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.6 | -24.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D194 R195 R200 | D194-A198 PolarHBondContact O-N 3.01Å; R195-A198 PolarHBondContact O-N 3.06Å; A198-R200 VanDerWaalsContact C-N 3.34Å |
| 199 | I | 83 | Confident | 84.2 | Confident | 131 Ų | 131 | 123.5 Ų | 123.5 | 67% | 0.672 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -18.7 | 176.2 | -63.3 | 165 | 0 | 0 | 0 | 111.7 | R195 T197 | R195-I199 HydrophobicContact CG-CD1 4.3Å; R195-I199 WeakPolarHBondContact O-CD1 3.06Å; R195-I199 WeakPolarHBondContact O-CG1 3.37Å; R195-I199 PolarHBondContact O-N 3.25Å; T197-I199 PolarHBondContact O-N 2.98Å |
| 200 | R | 81.8 | Confident | 84.4 | Confident | 205 Ų | 205 | 127.4 Ų | 127.4 | 77% | 0.774 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -16.4 | -178 | -72.7 | 177.8 | 171.8 | 172.8 | -4.2 | 113.7 | T197 A198 | T197-R200 PolarHBondContact O-N 3.29Å; A198-R200 VanDerWaalsContact C-N 3.34Å |
| 201 | S | 71 | Confident | 84.3 | Confident | 153 Ų | 153 | 134.5 Ų | 134.5 | 100% | 1.07 | 66% | 0.656 | S | S | * | * | trans | -90.3 | 0 | 174.1 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | T197 | T197-S201 PolarHBondContact O-N 2.84Š|
Retrieved 201 of 201 residues in 187.6 ms
(Link to these results)