| 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 | 42.5 | Very low | 39.1 | Very low | 244 Ų | 244 | 155.9 Ų | 155.9 | 100% | 1.202 | 84% | 0.835 | S | S | * | * | 0 | 102.1 | 0 | -159.8 | 168.3 | -153.6 | 0 | 0 | 106.7 | |||||
| 2 | F | 30.7 | Very low | 38.7 | Very low | 194 Ų | 194 | 157.7 Ų | 157.7 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -66 | 149.8 | 170.2 | -90.2 | -106.2 | 0 | 0 | 0 | 109.1 | ||||
| 3 | V | 36.8 | Very low | 38.6 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 72% | 0.721 | 83% | 0.833 | S | S | * | * | 174.3 | 111.7 | 116.5 | 162.4 | 0 | 0 | 0 | 0 | 107.9 | L5 | V3-L5 HydrophobicContact CG1-CD1 4.17Å; V3-L5 HydrophobicContact CG1-CG 4.28Å | |||
| 4 | L | 41.5 | Very low | 38.4 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | trans | -59.7 | 138.7 | 153.5 | -77.9 | 150.1 | 0 | 0 | 0 | 109.2 | ||||
| 5 | L | 40.9 | Very low | 37.7 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 82% | 0.817 | 82% | 0.823 | S | S | * | * | trans | -146.3 | 105.3 | 150.6 | -99 | 163.4 | 0 | 0 | 0 | 110.5 | V3 | V3-L5 HydrophobicContact CG1-CD1 4.17Å; V3-L5 HydrophobicContact CG1-CG 4.28Å | ||
| 6 | T | 38.6 | Very low | 37.3 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 70% | 0.699 | 83% | 0.829 | S | S | * | * | trans | -62.4 | 143.9 | 157.2 | 48.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | T | 46.2 | Very low | 37 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | trans | -154 | 138.9 | 146.4 | 53 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | E | 35.8 | Very low | 36.9 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -82.9 | 159.1 | -171.7 | -62.1 | -178.6 | 123.7 | 0 | 0 | 116 | ||||
| 9 | A | 34.7 | Very low | 36.6 | Very low | 89 Ų | 89 | 155.7 Ų | 155.7 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | trans | 10.4 | 136.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 10 | K | 38.6 | Very low | 36.2 | Very low | 202 Ų | 202 | 153.3 Ų | 153.3 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | 171.3 | 166.5 | 106.6 | -97.1 | -175.9 | 179.3 | 166.9 | 0 | 113.4 | |||||
| 11 | P | 44.3 | Very low | 36 | Very low | 106 Ų | 106 | 152 Ų | 152 | 69% | 0.688 | 83% | 0.826 | S | S | * | * | trans | -104.3 | 164.9 | -138.5 | 40.6 | -36 | 0 | 0 | 0 | 115 | ||||
| 12 | L | 34 | Very low | 35.7 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | trans | -92.8 | 121.7 | 166.1 | -111 | 129.1 | 0 | 0 | 0 | 110.2 | ||||
| 13 | V | 36.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.715 | 81% | 0.809 | S | S | * | * | trans | -107.6 | 128 | 168.9 | 173.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 14 | L | 36.1 | Very low | 35.7 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -157.6 | 100 | 153.2 | -134.4 | 90.3 | 0 | 0 | 0 | 104.9 | ||||
| 15 | C | 28.8 | Very low | 35.4 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | 55.5 | 91.6 | 77 | -154.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 16 | E | 31.5 | Very low | 34.9 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -134.2 | 139.1 | 146.6 | -96.6 | -171.3 | 170 | 0 | 0 | 110.9 | ||||
| 17 | T | 31.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -101.8 | 125.7 | -165.6 | -68.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 18 | V | 34.8 | Very low | 33.5 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -134.8 | 127.4 | 153.5 | 175.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 19 | R | 31.3 | Very low | 33.1 | Very low | 223 Ų | 223 | 146.5 Ų | 146.5 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -48.4 | 133.5 | -175.3 | -83.8 | 168.2 | 172 | -178.9 | -2.7 | 117.2 | ||||
| 20 | S | 29.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | 9.6 | 125.6 | 131 | 64.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 21 | S | 31.1 | Very low | 32.9 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -139 | 121.3 | 135.1 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | S | 36.3 | Very low | 32.4 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -78 | 135.5 | -174.5 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 23 | R | 34.5 | Very low | 32.3 | Very low | 248 Ų | 248 | 146 Ų | 146 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | trans | -157.3 | 101.6 | 146 | -105.2 | 170.4 | -146.3 | -121.4 | 4.3 | 109.3 | ||||
| 24 | S | 33.6 | Very low | 32.1 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -81.8 | 155.2 | 161.8 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 25 | P | 34.1 | Very low | 32 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | -121.8 | 147.8 | 127.9 | 8.2 | 11.6 | 0 | 0 | 0 | 111.5 | |||||
| 26 | A | 32 | Very low | 32.2 | Very low | 88 Ų | 88 | 150.5 Ų | 150.5 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -78.2 | 147.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 27 | F | 26.6 | Very low | 32.2 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | 56.5 | 125 | 142.8 | -88.3 | -94.1 | 0 | 0 | 0 | 122.2 | ||||
| 28 | G | 28.6 | Very low | 32.2 | Very low | 73 Ų | 73 | 146.3 Ų | 146.3 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -178.1 | 82.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112 | K30 | G28-K30 PolarHBondContact O-N 3.4Š| ||
| 29 | W | 26.8 | Very low | 32 | Very low | 232 Ų | 232 | 148.2 Ų | 148.2 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -77.1 | 118.5 | 168.2 | -83.7 | 40.8 | 0 | 0 | 0 | 109.6 | ||||
| 30 | K | 33.8 | Very low | 31.9 | Very low | 207 Ų | 207 | 146.7 Ų | 146.7 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -120.4 | 120.3 | 154.5 | -89.7 | -168.8 | 177.6 | -170.2 | 0 | 109 | G28 | G28-K30 PolarHBondContact O-N 3.4Š| ||
| 31 | K | 36 | Very low | 32.1 | Very low | 197 Ų | 197 | 151 Ų | 151 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | -73.1 | 136.7 | 163.3 | -73.9 | -168.3 | 178.4 | -178 | 0 | 108.8 | ||||
| 32 | G | 33.3 | Very low | 32.1 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 169.1 | 104 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 33 | G | 32.5 | Very low | 32 | Very low | 83 Ų | 83 | 154.4 Ų | 154.4 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 41.3 | 100.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 34 | N | 31 | Very low | 32.2 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -86.6 | 106.8 | 173.6 | -163.1 | -6.7 | 0 | 0 | 0 | 110.4 | K36 | N34-K36 WeakPolarHBondContact OD1-CG 3.32Š| ||
| 35 | L | 35.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 152 Ų | 152 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -87.6 | 102.5 | 158.2 | -146.8 | 78.1 | 0 | 0 | 0 | 106.3 | T37 | L35-T37 PolarHBondContact O-N 3.37Å; L35-T37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | K | 31.5 | Very low | 32.5 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 96.5 | -179 | -69.4 | -176.5 | 179.5 | 179.9 | 0 | 110.1 | N34 | N34-K36 WeakPolarHBondContact OD1-CG 3.32Š| ||
| 37 | T | 31.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 156.7 Ų | 156.7 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -82.7 | 110.4 | 152.7 | 24.8 | 0 | 0 | 0 | 0 | 108.1 | L35 Q39 | L35-T37 PolarHBondContact O-N 3.37Å; L35-T37 VanDerWaalsContact O-N 3.13Å; T37-Q39 PolarHBondContact O-N 3.37Å | ||
| 38 | A | 32.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 152.4 Ų | 152.4 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -71.6 | 105 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F40 | A38-F40 PolarHBondContact O-N 3.35Š| ||
| 39 | Q | 30.4 | Very low | 34.3 | Very low | 189 Ų | 189 | 158.9 Ų | 158.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -75.8 | 109.8 | 162 | -83.8 | -156.4 | -46.6 | 0 | 0 | 108.7 | T37 K41 | T37-Q39 PolarHBondContact O-N 3.37Å; Q39-K41 PolarHBondContact O-N 3.12Å; Q39-K41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | F | 29.4 | Very low | 35.1 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -66.9 | 103.6 | 164.2 | -129.4 | -99.7 | 0 | 0 | 0 | 107.4 | A38 T42 | A38-F40 PolarHBondContact O-N 3.35Å; F40-T42 VanDerWaalsContact C-N 3.34Å; F40-T42 PolarHBondContact O-N 2.86Å; F40-T42 VanDerWaalsContact O-N 3.11Å | ||
| 41 | K | 33.1 | Very low | 35.4 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -79.8 | 88.7 | 172.1 | -167.6 | 169.2 | -174.2 | 175 | 0 | 107.5 | Q39 R43 | Q39-K41 PolarHBondContact O-N 3.12Å; Q39-K41 VanDerWaalsContact O-N 3.15Å; K41-R43 PolarHBondContact O-N 3.35Å; K41-R43 VanDerWaalsContact O-N 3.12Å | ||
| 42 | T | 32.6 | Very low | 35.8 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | trans | -59.9 | 112.4 | 169.5 | -47.1 | 0 | 0 | 0 | 0 | 107.9 | F40 E44 | F40-T42 VanDerWaalsContact C-N 3.34Å; F40-T42 PolarHBondContact O-N 2.86Å; F40-T42 VanDerWaalsContact O-N 3.11Å; T42-E44 HydrophobicContact CG2-CG 4.26Å; T42-E44 PolarHBondContact O-N 3.44Å | ||
| 43 | R | 34.2 | Very low | 36.3 | Very low | 195 Ų | 195 | 145.6 Ų | 145.6 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -78.5 | 81.8 | 169.8 | -170.5 | 177.8 | 170.7 | 158.9 | 2.9 | 106.8 | K41 E45 | K41-R43 PolarHBondContact O-N 3.35Å; K41-R43 VanDerWaalsContact O-N 3.12Å; R43-E45 HydrophobicContact CG-CB 4.47Å; R43-E45 IonicContact CZ-OE1 3.92Å; R43-E45 IonicContact CZ-OE2 3.32Å; R43-E45 VanDerWaalsContact CZ-OE2 3.32Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 IonicContact NE-OE2 2.85Å; R43-E45 PolarHBondContact NE-OE2 2.84Å; R43-E45 IonicContact NH2-OE1 3.05Å; R43-E45 PolarHBondContact NH2-OE1 3.46Å; R43-E45 IonicContact NH2-OE2 3.12Å; R43-E45 PolarHBondContact NH2-OE2 3.35Å; R43-E45 VanDerWaalsContact NH2-OE2 3.12Å; R43-E45 PolarHBondContact O-N 3.04Å | ||
| 44 | E | 37.6 | Very low | 36.9 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -69.4 | 86.2 | 161.1 | -81.2 | -173.8 | 148 | 0 | 0 | 107.7 | T42 K46 | T42-E44 HydrophobicContact CG2-CG 4.26Å; T42-E44 PolarHBondContact O-N 3.44Å; E44-K46 PolarHBondContact O-N 3.3Å; E44-K46 VanDerWaalsContact O-N 3.08Å | ||
| 45 | E | 37.9 | Very low | 37.5 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | trans | -82.4 | 80.3 | 169.6 | -155.2 | 156 | -163.1 | 0 | 0 | 107.3 | R43 M47 | R43-E45 HydrophobicContact CG-CB 4.47Å; R43-E45 IonicContact CZ-OE1 3.92Å; R43-E45 IonicContact CZ-OE2 3.32Å; R43-E45 VanDerWaalsContact CZ-OE2 3.32Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 IonicContact NE-OE2 2.85Å; R43-E45 PolarHBondContact NE-OE2 2.84Å; R43-E45 IonicContact NH2-OE1 3.05Å; R43-E45 PolarHBondContact NH2-OE1 3.46Å; R43-E45 IonicContact NH2-OE2 3.12Å; R43-E45 PolarHBondContact NH2-OE2 3.35Å; R43-E45 VanDerWaalsContact NH2-OE2 3.12Å; R43-E45 PolarHBondContact O-N 3.04Å; E45-M47 PolarHBondContact O-N 3.37Å | ||
| 46 | K | 35.5 | Very low | 37.9 | Very low | 160 Ų | 160 | 146 Ų | 146 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | -61.8 | 102.7 | 171.7 | -168.7 | -175.5 | -176 | -142.9 | 0 | 108.2 | E44 D48 | E44-K46 PolarHBondContact O-N 3.3Å; E44-K46 VanDerWaalsContact O-N 3.08Å; K46-D48 WeakPolarHBondContact CD-OD2 3.29Å; K46-D48 WeakPolarHBondContact CE-OD1 3.46Å; K46-D48 WeakPolarHBondContact CE-OD2 3.35Å; K46-D48 IonicContact NZ-OD1 3.62Å; K46-D48 IonicContact NZ-OD2 2.72Å; K46-D48 PolarHBondContact NZ-OD2 2.74Å; K46-D48 PolarHBondContact O-N 3.47Å | ||
| 47 | M | 41.3 | Very low | 38.7 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -79.4 | 72.6 | 175.1 | -171 | 157 | 62.1 | 0 | 0 | 109.5 | E45 R49 | E45-M47 PolarHBondContact O-N 3.37Å; M47-R49 HydrophobicContact CG-CB 3.86Å; M47-R49 PolarHBondContact O-N 3.21Å | ||
| 48 | D | 37.7 | Very low | 39.5 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | -75.1 | 65.9 | 159 | -69.8 | -28.2 | 0 | 0 | 0 | 107.5 | K46 A50 | K46-D48 WeakPolarHBondContact CD-OD2 3.29Å; K46-D48 WeakPolarHBondContact CE-OD1 3.46Å; K46-D48 WeakPolarHBondContact CE-OD2 3.35Å; K46-D48 IonicContact NZ-OD1 3.62Å; K46-D48 IonicContact NZ-OD2 2.72Å; K46-D48 PolarHBondContact NZ-OD2 2.74Å; K46-D48 PolarHBondContact O-N 3.47Å; D48-A50 PolarHBondContact O-N 3.39Å | ||
| 49 | R | 47 | Very low | 40.6 | Very low | 209 Ų | 209 | 149.9 Ų | 149.9 | 79% | 0.789 | 75% | 0.753 | S | S | * | * | trans | -76.8 | 84.1 | 170.2 | -172.2 | 170.4 | -177.5 | 150.3 | -1.3 | 106.7 | M47 V51 | M47-R49 HydrophobicContact CG-CB 3.86Å; M47-R49 PolarHBondContact O-N 3.21Å; R49-V51 PolarHBondContact O-N 3.36Å; R49-V51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | A | 42.2 | Very low | 42 | Very low | 76 Ų | 76 | 146.6 Ų | 146.6 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | trans | -47.8 | 120 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | D48 S52 | D48-A50 PolarHBondContact O-N 3.39Å; A50-S52 PolarHBondContact O-N 2.74Å | ||
| 51 | V | 40.6 | Very low | 43.6 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -69 | 83.3 | 168.8 | 177 | 0 | 0 | 0 | 0 | 105.4 | R49 L53 | R49-V51 PolarHBondContact O-N 3.36Å; R49-V51 VanDerWaalsContact O-N 3.09Å; V51-L53 PolarHBondContact O-N 2.86Å; V51-L53 VanDerWaalsContact O-N 3.12Å | ||
| 52 | S | 44.3 | Very low | 45.2 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -66.7 | 110.1 | 169.8 | -57.5 | 0 | 0 | 0 | 0 | 106.5 | A50 | A50-S52 PolarHBondContact O-N 2.74Š| ||
| 53 | L | 44.3 | Very low | 47.2 | Very low | 122 Ų | 122 | 133 Ų | 133 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | trans | -51.8 | 139.1 | 166.3 | -100 | 83.3 | 0 | 0 | 0 | 108.2 | V51 S55 | V51-L53 PolarHBondContact O-N 2.86Å; V51-L53 VanDerWaalsContact O-N 3.12Å; L53-S55 PolarHBondContact O-N 3.14Å | ||
| 54 | P | 44.2 | Very low | 49.5 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -54.2 | 127.3 | 173.1 | 20.1 | -28.7 | 0 | 0 | 0 | 108.8 | Q56 | P54-Q56 PolarHBondContact O-N 2.94Š| ||
| 55 | S | 44.4 | Very low | 51.7 | Low | 122 Ų | 122 | 126.9 Ų | 126.9 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | trans | -56.7 | 98.2 | 178.1 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | L53 | L53-S55 PolarHBondContact O-N 3.14Š| ||
| 56 | Q | 44 | Very low | 53.9 | Low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -68.1 | 141.5 | 167 | -72.9 | -76.9 | -39.4 | 0 | 0 | 107.7 | P54 E58 | P54-Q56 PolarHBondContact O-N 2.94Å; Q56-E58 PolarHBondContact O-N 3.12Å | ||
| 57 | P | 47.7 | Very low | 56.3 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -53.7 | 138 | 172.7 | 24.9 | -32.9 | 0 | 0 | 0 | 108.4 | K59 | P57-K59 VanDerWaalsContact C-N 3.25Å; P57-K59 PolarHBondContact O-N 3.42Å | ||
| 58 | E | 47.7 | Very low | 58.3 | Low | 196 Ų | 196 | 125.5 Ų | 125.5 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | trans | -55.4 | 92.7 | 176.6 | -70.1 | -177.7 | 179.3 | 0 | 0 | 108.9 | Q56 V60 | Q56-E58 PolarHBondContact O-N 3.12Å; E58-V60 PolarHBondContact O-N 3.36Å; E58-V60 VanDerWaalsContact O-N 3.09Å | ||
| 59 | K | 56.7 | Low | 60.6 | Low | 187 Ų | 187 | 123 Ų | 123 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | trans | -73.9 | 105.5 | 176.5 | -169.4 | -179.7 | -176.9 | -171.5 | 0 | 104.8 | P57 T61 | P57-K59 VanDerWaalsContact C-N 3.25Å; P57-K59 PolarHBondContact O-N 3.42Å; K59-T61 PolarHBondContact O-N 3.18Å | ||
| 60 | V | 59.1 | Low | 62.2 | Low | 119 Ų | 119 | 117.4 Ų | 117.4 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | trans | -50.4 | 117.5 | 172.6 | -174 | 0 | 0 | 0 | 0 | 107.1 | E58 T62 | E58-V60 PolarHBondContact O-N 3.36Å; E58-V60 VanDerWaalsContact O-N 3.09Å; V60-T62 PolarHBondContact O-N 2.9Å | ||
| 61 | T | 62.6 | Low | 64.2 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 34% | 0.344 | 66% | 0.658 | S | S | . | * | trans | -68.3 | 84.2 | -179.6 | -48.6 | 0 | 0 | 0 | 0 | 108.1 | K59 V63 V99 Q100 | K59-T61 PolarHBondContact O-N 3.18Å; T61-V63 PolarHBondContact O-N 3.37Å; T61-V99 HydrophobicContact CG2-CG1 4.02Å; T61-Q100 PolarHBondContact OG1-OE1 2.85Å | ||
| 62 | T | 67.8 | Low | 66.2 | Low | 115 Ų | 115 | 112.2 Ų | 112.2 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | trans | -73.2 | 108.8 | 172 | 52.9 | 0 | 0 | 0 | 0 | 107.2 | V60 N64 | V60-T62 PolarHBondContact O-N 2.9Å; T62-N64 PolarHBondContact O-N 3.41Å; T62-N64 VanDerWaalsContact O-N 3.11Å | ||
| 63 | V | 74.1 | Confident | 68 | Low | 42 Ų | 42 | 113 Ų | 113 | 26% | 0.255 | 65% | 0.645 | S | S | . | * | trans | -58.8 | 115.4 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | T61 L65 L95 A96 | T61-V63 PolarHBondContact O-N 3.37Å; V63-L65 HydrophobicContact CG1-CD2 3.75Å; V63-L65 HydrophobicContact CG1-CG 4.34Å; V63-L65 PolarHBondContact O-N 3.37Å; V63-L95 HydrophobicContact CG1-CD2 3.46Å; V63-L95 VanDerWaalsContact CG1-CD2 3.46Å; V63-L95 HydrophobicContact CG1-CG 3.73Å; V63-A96 HydrophobicContact CG2-CB 3.53Å | ||
| 64 | N | 82.3 | Confident | 69.9 | Low | 161 Ų | 161 | 110.5 Ų | 110.5 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | trans | -83 | 98.5 | 179.9 | -160 | 15.4 | 0 | 0 | 0 | 108.7 | T62 | T62-N64 PolarHBondContact O-N 3.41Å; T62-N64 VanDerWaalsContact O-N 3.11Å | ||
| 65 | L | 84.6 | Confident | 71.7 | Confident | 85 Ų | 85 | 112.2 Ų | 112.2 | 45% | 0.445 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 153.7 | 178.6 | -61.2 | 177.9 | 0 | 0 | 0 | 110.4 | V63 L92 L95 | V63-L65 HydrophobicContact CG1-CD2 3.75Å; V63-L65 HydrophobicContact CG1-CG 4.34Å; V63-L65 PolarHBondContact O-N 3.37Å; L65-L92 HydrophobicContact CD1-CD2 3.78Å; L65-L92 HydrophobicContact CD2-CD2 3.97Å; L65-L92 HydrophobicContact CG-CD2 4.5Å; L65-L95 HydrophobicContact CD2-CD2 3.76Å |
| 66 | V | 84.9 | Confident | 73.7 | Confident | 139 Ų | 139 | 114.7 Ų | 114.7 | 84% | 0.842 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.5 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 67 | E | 85.3 | Confident | 75.6 | Confident | 186 Ų | 186 | 109.3 Ų | 109.3 | 87% | 0.869 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 139.3 | 177.9 | -63.7 | -179.3 | 173.6 | 0 | 0 | 111.3 | ||
| 68 | T | 83.5 | Confident | 77.4 | Confident | 101 Ų | 101 | 111.9 Ų | 111.9 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -88 | 137.7 | 176.5 | 56.4 | 0 | 0 | 0 | 0 | 110 | N84 | T68-N84 VanDerWaalsContact CB-CG 3.5Å; T68-N84 WeakPolarHBondContact CB-OD1 3.44Å; T68-N84 HydrophobicContact CG2-CB 3.78Å; T68-N84 WeakPolarHBondContact CG2-OD1 3.46Å |
| 69 | S | 84.6 | Confident | 79 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 44% | 0.441 | 61% | 0.609 | S | S | . | * | trans | -119.8 | 132 | 179 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | A71 L77 | S69-A71 PolarHBondContact OG-N 2.89Å; S69-L77 WeakPolarHBondContact O-CD1 3.48Å | ||
| 70 | T | 80.8 | Confident | 80 | Confident | 91 Ų | 91 | 98.3 Ų | 98.3 | 56% | 0.558 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -83.5 | -14.5 | 175.8 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | L77 | T70-L77 WeakPolarHBondContact O-CG 3.29Å; T70-L77 PolarHBondContact O-N 2.87Å |
| 71 | A | 84.4 | Confident | 81 | Confident | 38 Ų | 38 | 100.5 Ų | 100.5 | 31% | 0.314 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -141.5 | 66.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S69 S73 G74 M75 | S69-A71 PolarHBondContact OG-N 2.89Å; A71-S73 PolarHBondContact O-N 2.95Å; A71-G74 PolarHBondContact O-N 3.14Å; A71-M75 CarbonylContact C-O 3.51Å; A71-M75 WeakPolarHBondContact CA-O 3.49Å |
| 72 | P | 82.5 | Confident | 81.7 | Confident | 61 Ų | 61 | 105 Ų | 105 | 40% | 0.396 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -60.2 | 131.9 | 176.6 | 26.5 | -31.9 | 0 | 0 | 0 | 109.9 | G74 M75 L77 | P72-G74 PolarHBondContact O-N 2.9Å; P72-M75 PolarHBondContact O-N 3.33Å; P72-L77 HydrophobicContact CG-CD1 4.4Å; P72-L77 HydrophobicContact CG-CD2 3.79Å; P72-L77 HydrophobicContact CG-CG 4.14Å |
| 73 | S | 82.3 | Confident | 82 | Confident | 120 Ų | 120 | 104.1 Ų | 104.1 | 84% | 0.839 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | 57.6 | 23.1 | -175 | -47.7 | 0 | 0 | 0 | 0 | 114.8 | A71 M75 | A71-S73 PolarHBondContact O-N 2.95Å; S73-M75 VanDerWaalsContact C-N 3.31Å; S73-M75 PolarHBondContact O-N 2.65Å |
| 74 | G | 84.2 | Confident | 82.2 | Confident | 69 Ų | 69 | 104.9 Ų | 104.9 | 71% | 0.711 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | 80.3 | 5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A71 P72 | A71-G74 PolarHBondContact O-N 3.14Å; P72-G74 PolarHBondContact O-N 2.9Å |
| 75 | M | 82.5 | Confident | 81.8 | Confident | 142 Ų | 142 | 105.3 Ų | 105.3 | 70% | 0.7 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -102 | 124.1 | 175.7 | -71.7 | -177.2 | -98 | 0 | 0 | 110.5 | A71 P72 S73 | A71-M75 CarbonylContact C-O 3.51Å; A71-M75 WeakPolarHBondContact CA-O 3.49Å; P72-M75 PolarHBondContact O-N 3.33Å; S73-M75 VanDerWaalsContact C-N 3.31Å; S73-M75 PolarHBondContact O-N 2.65Å |
| 76 | E | 85.9 | Confident | 81 | Confident | 173 Ų | 173 | 104.7 Ų | 104.7 | 81% | 0.808 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 130.2 | -177.1 | -170.9 | 170.5 | -168 | 0 | 0 | 111.9 | ||
| 77 | L | 84.4 | Confident | 80.5 | Confident | 47 Ų | 47 | 100.9 Ų | 100.9 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -71.7 | 131.7 | 177.5 | -66.4 | 178.5 | 0 | 0 | 0 | 110.9 | S69 T70 P72 S79 T83 | S69-L77 WeakPolarHBondContact O-CD1 3.48Å; T70-L77 WeakPolarHBondContact O-CG 3.29Å; T70-L77 PolarHBondContact O-N 2.87Å; P72-L77 HydrophobicContact CG-CD1 4.4Å; P72-L77 HydrophobicContact CG-CD2 3.79Å; P72-L77 HydrophobicContact CG-CG 4.14Å; L77-S79 PolarHBondContact O-N 3.4Å; L77-T83 HydrophobicContact CD1-CG2 4.28Å |
| 78 | V | 84.5 | Confident | 80.4 | Confident | 159 Ų | 159 | 96 Ų | 96 | 96% | 0.964 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -59.1 | -29.7 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 79 | S | 81.3 | Confident | 80.2 | Confident | 48 Ų | 48 | 95.7 Ų | 95.7 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | trans | -152.5 | 99.4 | 172 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | L77 Y81 Q82 T83 | L77-S79 PolarHBondContact O-N 3.4Å; S79-Y81 VanDerWaalsContact C-N 3.29Å; S79-Y81 PolarHBondContact O-N 3.39Å; S79-Q82 PolarHBondContact O-N 3.03Å; S79-Q82 PolarHBondContact OG-N 3.3Å; S79-T83 PolarHBondContact O-N 3Å; S79-T83 PolarHBondContact O-OG1 3.05Å | ||
| 80 | S | 79.3 | Confident | 80.3 | Confident | 49 Ų | 49 | 98.1 Ų | 98.1 | 34% | 0.343 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.3 | -34.7 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | Q82 N84 | S80-Q82 PolarHBondContact O-N 2.99Å; S80-N84 VanDerWaalsContact O-CB 3.24Å; S80-N84 WeakPolarHBondContact O-CB 3.47Å; S80-N84 VanDerWaalsContact O-CG 3.27Å; S80-N84 PolarHBondContact O-N 2.8Å; S80-N84 PolarHBondContact O-ND2 3.25Å |
| 81 | Y | 79 | Confident | 80.5 | Confident | 166 Ų | 166 | 98.5 Ų | 98.5 | 65% | 0.651 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -42.9 | 179.3 | 178 | -100.6 | 0 | 0 | 0 | 112.3 | S79 R85 | S79-Y81 VanDerWaalsContact C-N 3.29Å; S79-Y81 PolarHBondContact O-N 3.39Å; Y81-R85 WeakPolarHBondContact O-CB 3.29Å; Y81-R85 PolarHBondContact O-N 3.22Å; Y81-R85 VanDerWaalsContact O-N 3.08Å |
| 82 | Q | 77 | Confident | 80.5 | Confident | 151 Ų | 151 | 99.7 Ų | 99.7 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.4 | -32.8 | -175.8 | -165.2 | 162 | 17.5 | 0 | 0 | 112.3 | S79 S80 | S79-Q82 PolarHBondContact O-N 3.03Å; S79-Q82 PolarHBondContact OG-N 3.3Å; S80-Q82 PolarHBondContact O-N 2.99Å |
| 83 | T | 74.4 | Confident | 80.8 | Confident | 96 Ų | 96 | 100 Ų | 100 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.8 | -35.1 | 176.4 | -49.7 | 0 | 0 | 0 | 0 | 112.5 | L77 S79 | L77-T83 HydrophobicContact CD1-CG2 4.28Å; S79-T83 PolarHBondContact O-N 3Å; S79-T83 PolarHBondContact O-OG1 3.05Å |
| 84 | N | 78.4 | Confident | 81.1 | Confident | 58 Ų | 58 | 96.8 Ų | 96.8 | 31% | 0.31 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -94.2 | 3.1 | -178.1 | -63.1 | -40.3 | 0 | 0 | 0 | 113.6 | T68 S80 V86 | T68-N84 VanDerWaalsContact CB-CG 3.5Å; T68-N84 WeakPolarHBondContact CB-OD1 3.44Å; T68-N84 HydrophobicContact CG2-CB 3.78Å; T68-N84 WeakPolarHBondContact CG2-OD1 3.46Å; S80-N84 VanDerWaalsContact O-CB 3.24Å; S80-N84 WeakPolarHBondContact O-CB 3.47Å; S80-N84 VanDerWaalsContact O-CG 3.27Å; S80-N84 PolarHBondContact O-N 2.8Å; S80-N84 PolarHBondContact O-ND2 3.25Å; N84-V86 PolarHBondContact O-N 2.89Å |
| 85 | R | 74.8 | Confident | 81.3 | Confident | 170 Ų | 170 | 96.7 Ų | 96.7 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | trans | -66 | 120.5 | 178.8 | -177.6 | 172.8 | 176.6 | 176.3 | 0.9 | 109.1 | Y81 G87 | Y81-R85 WeakPolarHBondContact O-CB 3.29Å; Y81-R85 PolarHBondContact O-N 3.22Å; Y81-R85 VanDerWaalsContact O-N 3.08Å; R85-G87 PolarHBondContact O-N 3.41Å | ||
| 86 | V | 68 | Low | 81.7 | Confident | 71 Ų | 71 | 91.4 Ų | 91.4 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | trans | -57.3 | 125.9 | 166.4 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | N84 L92 | N84-V86 PolarHBondContact O-N 2.89Å; V86-L92 HydrophobicContact CG1-CD1 3.72Å; V86-L92 HydrophobicContact CG1-CD2 4.09Å; V86-L92 HydrophobicContact CG1-CG 3.66Å; V86-L92 HydrophobicContact CG2-CD1 4.28Å | ||
| 87 | G | 74 | Confident | 81.9 | Confident | 60 Ų | 60 | 88.2 Ų | 88.2 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -60.1 | -98.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R85 | R85-G87 PolarHBondContact O-N 3.41Š|
| 88 | D | 81.9 | Confident | 82.3 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | trans | -88.2 | 126 | 170 | -173.2 | -11.8 | 0 | 0 | 0 | 109 | M90 D91 | D88-M90 PolarHBondContact O-N 3.41Å; D88-M90 WeakPolarHBondContact OD1-CB 3.44Å; D88-M90 PolarHBondContact OD1-N 2.63Å; D88-D91 VanDerWaalsContact O-CB 3.31Å; D88-D91 WeakPolarHBondContact O-CB 3.3Å; D88-D91 PolarHBondContact O-N 3.33Å | ||
| 89 | P | 80.2 | Confident | 82.6 | Confident | 93 Ų | 93 | 87.8 Ų | 87.8 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -50.6 | -27.6 | 170.5 | -27.8 | 35.3 | 0 | 0 | 0 | 114.2 | D91 L92 | P89-D91 VanDerWaalsContact C-N 3.25Å; P89-D91 PolarHBondContact O-N 2.87Å; P89-L92 PolarHBondContact O-N 2.88Å |
| 90 | M | 85.8 | Confident | 83.1 | Confident | 115 Ų | 115 | 88.6 Ų | 88.6 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.4 | -25.5 | 175 | -68.7 | -56.5 | -58.1 | 0 | 0 | 113.4 | D88 L92 V93 A94 | D88-M90 PolarHBondContact O-N 3.41Å; D88-M90 WeakPolarHBondContact OD1-CB 3.44Å; D88-M90 PolarHBondContact OD1-N 2.63Å; M90-L92 VanDerWaalsContact C-N 3.29Å; M90-L92 PolarHBondContact O-N 3.48Å; M90-V93 PolarHBondContact O-N 2.93Å; M90-A94 PolarHBondContact O-N 3.22Å |
| 91 | D | 85.8 | Confident | 83.8 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 177.3 | -67.1 | -28.2 | 0 | 0 | 0 | 111.6 | D88 P89 V93 A94 L95 | D88-D91 VanDerWaalsContact O-CB 3.31Å; D88-D91 WeakPolarHBondContact O-CB 3.3Å; D88-D91 PolarHBondContact O-N 3.33Å; P89-D91 VanDerWaalsContact C-N 3.25Å; P89-D91 PolarHBondContact O-N 2.87Å; D91-V93 VanDerWaalsContact C-N 3.34Å; D91-A94 PolarHBondContact O-N 2.95Å; D91-L95 WeakPolarHBondContact O-CB 3.29Å; D91-L95 PolarHBondContact O-N 3.07Å |
| 92 | L | 84.6 | Confident | 84.6 | Confident | 64 Ų | 64 | 85.2 Ų | 85.2 | 34% | 0.335 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 175.2 | -67 | -178.2 | 0 | 0 | 0 | 111.8 | L65 V86 P89 M90 A96 | L65-L92 HydrophobicContact CD1-CD2 3.78Å; L65-L92 HydrophobicContact CD2-CD2 3.97Å; L65-L92 HydrophobicContact CG-CD2 4.5Å; V86-L92 HydrophobicContact CG1-CD1 3.72Å; V86-L92 HydrophobicContact CG1-CD2 4.09Å; V86-L92 HydrophobicContact CG1-CG 3.66Å; V86-L92 HydrophobicContact CG2-CD1 4.28Å; P89-L92 PolarHBondContact O-N 2.88Å; M90-L92 VanDerWaalsContact C-N 3.29Å; M90-L92 PolarHBondContact O-N 3.48Å; L92-A96 WeakPolarHBondContact O-CB 3.47Å; L92-A96 PolarHBondContact O-N 2.8Å |
| 93 | V | 87.8 | Confident | 85.4 | Confident | 68 Ų | 68 | 81.1 Ų | 81.1 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 110 | M90 D91 L95 A96 E97 | M90-V93 PolarHBondContact O-N 2.93Å; D91-V93 VanDerWaalsContact C-N 3.34Å; V93-L95 VanDerWaalsContact C-N 3.31Å; V93-L95 PolarHBondContact O-N 3.47Å; V93-A96 WeakPolarHBondContact O-CB 3.2Å; V93-A96 PolarHBondContact O-N 2.81Å; V93-A96 VanDerWaalsContact O-N 3.17Å; V93-E97 WeakPolarHBondContact O-CG 3.31Å; V93-E97 PolarHBondContact O-N 3.03Å |
| 94 | A | 89.6 | Confident | 86.3 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M90 D91 E97 Q98 | M90-A94 PolarHBondContact O-N 3.22Å; D91-A94 PolarHBondContact O-N 2.95Å; A94-E97 PolarHBondContact O-N 2.91Å; A94-Q98 WeakPolarHBondContact O-CB 3.18Å; A94-Q98 PolarHBondContact O-N 3.28Å |
| 95 | L | 88.9 | Confident | 87.2 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 35% | 0.351 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.2 | 178.5 | 58.3 | 0 | 0 | 0 | 111.6 | V63 L65 D91 V93 E97 Q98 V99 | V63-L95 HydrophobicContact CG1-CD2 3.46Å; V63-L95 VanDerWaalsContact CG1-CD2 3.46Å; V63-L95 HydrophobicContact CG1-CG 3.73Å; L65-L95 HydrophobicContact CD2-CD2 3.76Å; D91-L95 WeakPolarHBondContact O-CB 3.29Å; D91-L95 PolarHBondContact O-N 3.07Å; V93-L95 VanDerWaalsContact C-N 3.31Å; V93-L95 PolarHBondContact O-N 3.47Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 3.34Å; L95-Q98 PolarHBondContact O-N 2.98Å; L95-V99 HydrophobicContact CD1-CG2 4.25Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 2.81Å |
| 96 | A | 89.4 | Confident | 88.2 | Confident | 31 Ų | 31 | 81.3 Ų | 81.3 | 26% | 0.256 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V63 L92 V93 Q98 V99 Q100 | V63-A96 HydrophobicContact CG2-CB 3.53Å; L92-A96 WeakPolarHBondContact O-CB 3.47Å; L92-A96 PolarHBondContact O-N 2.8Å; V93-A96 WeakPolarHBondContact O-CB 3.2Å; V93-A96 PolarHBondContact O-N 2.81Å; V93-A96 VanDerWaalsContact O-N 3.17Å; A96-Q98 VanDerWaalsContact C-N 3.34Å; A96-Q98 PolarHBondContact O-N 2.83Å; A96-V99 PolarHBondContact O-N 2.96Å; A96-Q100 WeakPolarHBondContact O-CB 3.47Å; A96-Q100 PolarHBondContact O-N 2.84Å |
| 97 | E | 91.2 | Very high | 89.5 | Confident | 106 Ų | 106 | 83.7 Ų | 83.7 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 175.7 | -73.1 | -175.8 | -173 | 0 | 0 | 112.5 | V93 A94 L95 Q100 K101 | V93-E97 WeakPolarHBondContact O-CG 3.31Å; V93-E97 PolarHBondContact O-N 3.03Å; A94-E97 PolarHBondContact O-N 2.91Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 3.34Å; E97-Q100 PolarHBondContact O-N 3.31Å; E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 VanDerWaalsContact O-CG 3.29Å; E97-K101 WeakPolarHBondContact O-CG 3.3Å; E97-K101 PolarHBondContact O-N 2.92Å; E97-K101 IonicContact OE2-NZ 3.88Å |
| 98 | Q | 92.4 | Very high | 90.6 | Very high | 139 Ų | 139 | 83 Ų | 83 | 65% | 0.65 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.5 | -42.3 | 178.7 | -177.1 | 173.8 | -24.3 | 0 | 0 | 111.9 | A94 L95 A96 Q100 K101 G102 | A94-Q98 WeakPolarHBondContact O-CB 3.18Å; A94-Q98 PolarHBondContact O-N 3.28Å; L95-Q98 PolarHBondContact O-N 2.98Å; A96-Q98 VanDerWaalsContact C-N 3.34Å; A96-Q98 PolarHBondContact O-N 2.83Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-K101 PolarHBondContact O-N 3.41Å; Q98-G102 PolarHBondContact O-N 3.38Å |
| 99 | V | 91.9 | Very high | 91.3 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 35% | 0.352 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110.1 | T61 L95 A96 K101 G102 D103 | T61-V99 HydrophobicContact CG2-CG1 4.02Å; L95-V99 HydrophobicContact CD1-CG2 4.25Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 2.81Å; A96-V99 PolarHBondContact O-N 2.96Å; V99-K101 PolarHBondContact O-N 3.29Å; V99-G102 WeakPolarHBondContact O-CA 3.24Å; V99-G102 PolarHBondContact O-N 3.17Å; V99-G102 VanDerWaalsContact O-N 3.09Å; V99-D103 PolarHBondContact O-N 3.02Å |
| 100 | Q | 90.4 | Very high | 92 | Very high | 65 Ų | 65 | 81 Ų | 81 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 178 | -173.1 | 58.9 | 56.6 | 0 | 0 | 112.2 | T61 A96 E97 Q98 G102 D103 D104 | T61-Q100 PolarHBondContact OG1-OE1 2.85Å; A96-Q100 WeakPolarHBondContact O-CB 3.47Å; A96-Q100 PolarHBondContact O-N 2.84Å; E97-Q100 PolarHBondContact O-N 3.31Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q100-G102 VanDerWaalsContact C-N 3.3Å; Q100-G102 PolarHBondContact O-N 3.11Å; Q100-D103 PolarHBondContact O-N 3.28Å; Q100-D104 PolarHBondContact NE2-OD1 3.37Å; Q100-D104 VanDerWaalsContact O-CG 3.25Å; Q100-D104 PolarHBondContact O-N 3.16Å |
| 101 | K | 94.7 | Very high | 92.5 | Very high | 115 Ų | 115 | 78.1 Ų | 78.1 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 174.4 | -74.7 | 167.3 | -175.6 | 160.6 | 0 | 111.6 | E97 Q98 V99 D104 F105 | E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 VanDerWaalsContact O-CG 3.29Å; E97-K101 WeakPolarHBondContact O-CG 3.3Å; E97-K101 PolarHBondContact O-N 2.92Å; E97-K101 IonicContact OE2-NZ 3.88Å; Q98-K101 PolarHBondContact O-N 3.41Å; V99-K101 PolarHBondContact O-N 3.29Å; K101-D104 PolarHBondContact O-N 3.23Å; K101-F105 HydrophobicContact CB-CE2 4.48Å; K101-F105 WeakPolarHBondContact O-CD2 3.46Å; K101-F105 PolarHBondContact O-N 2.74Å |
| 102 | G | 95.1 | Very high | 93 | Very high | 29 Ų | 29 | 78.4 Ų | 78.4 | 30% | 0.299 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q98 V99 Q100 D104 F105 I106 | Q98-G102 PolarHBondContact O-N 3.38Å; V99-G102 WeakPolarHBondContact O-CA 3.24Å; V99-G102 PolarHBondContact O-N 3.17Å; V99-G102 VanDerWaalsContact O-N 3.09Å; Q100-G102 VanDerWaalsContact C-N 3.3Å; Q100-G102 PolarHBondContact O-N 3.11Å; G102-D104 VanDerWaalsContact C-N 3.32Å; G102-D104 PolarHBondContact O-N 3.15Å; G102-F105 PolarHBondContact O-N 3.2Å; G102-I106 VanDerWaalsContact O-CG1 3.31Å; G102-I106 WeakPolarHBondContact O-CG1 3.41Å; G102-I106 PolarHBondContact O-N 3.44Å |
| 103 | D | 93.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 82.7 Ų | 82.7 | 34% | 0.342 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.8 | -73.6 | -16.8 | 0 | 0 | 0 | 112 | V99 Q100 I106 K107 | V99-D103 PolarHBondContact O-N 3.02Å; Q100-D103 PolarHBondContact O-N 3.28Å; D103-I106 PolarHBondContact O-N 3.46Å; D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3.13Å |
| 104 | D | 93.8 | Very high | 94.1 | Very high | 78 Ų | 78 | 84.7 Ų | 84.7 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 177 | -66.1 | -20.5 | 0 | 0 | 0 | 111.5 | Q100 K101 G102 K107 A108 | Q100-D104 PolarHBondContact NE2-OD1 3.37Å; Q100-D104 VanDerWaalsContact O-CG 3.25Å; Q100-D104 PolarHBondContact O-N 3.16Å; K101-D104 PolarHBondContact O-N 3.23Å; G102-D104 VanDerWaalsContact C-N 3.32Å; G102-D104 PolarHBondContact O-N 3.15Å; D104-K107 PolarHBondContact O-N 3.4Å; D104-A108 WeakPolarHBondContact O-CB 3.38Å; D104-A108 PolarHBondContact O-N 3.08Å |
| 105 | F | 96.8 | Very high | 94.4 | Very high | 141 Ų | 141 | 86 Ų | 86 | 62% | 0.618 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 172.8 | -76.3 | -59.3 | 0 | 0 | 0 | 112.6 | K101 G102 A108 N109 | K101-F105 HydrophobicContact CB-CE2 4.48Å; K101-F105 WeakPolarHBondContact O-CD2 3.46Å; K101-F105 PolarHBondContact O-N 2.74Å; G102-F105 PolarHBondContact O-N 3.2Å; F105-A108 PolarHBondContact O-N 3.37Å; F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.27Å; F105-N109 PolarHBondContact O-N 3.48Å; F105-N109 PolarHBondContact O-ND2 2.92Å |
| 106 | I | 96.6 | Very high | 94.8 | Very high | 110 Ų | 110 | 86.8 Ų | 86.8 | 56% | 0.564 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.4 | -47 | 176.6 | -69.5 | 165.3 | 0 | 0 | 0 | 109.9 | G102 D103 N109 A110 | G102-I106 VanDerWaalsContact O-CG1 3.31Å; G102-I106 WeakPolarHBondContact O-CG1 3.41Å; G102-I106 PolarHBondContact O-N 3.44Å; D103-I106 PolarHBondContact O-N 3.46Å; I106-N109 PolarHBondContact O-N 3.09Å; I106-A110 WeakPolarHBondContact O-CB 3.34Å; I106-A110 PolarHBondContact O-N 2.94Å |
| 107 | K | 96.2 | Very high | 95.1 | Very high | 121 Ų | 121 | 89.4 Ų | 89.4 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 175.6 | -72.6 | 171 | -171.6 | 164.9 | 0 | 111.2 | D103 D104 N109 A110 C111 | D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3.13Å; D104-K107 PolarHBondContact O-N 3.4Å; K107-N109 VanDerWaalsContact C-N 3.34Å; K107-N109 PolarHBondContact O-N 2.82Å; K107-A110 PolarHBondContact O-N 3.24Å; K107-C111 WeakPolarHBondContact O-CB 3.36Å; K107-C111 PolarHBondContact O-N 3Å; K107-C111 PolarHBondContact O-SG 2.76Å |
| 108 | A | 95.5 | Very high | 95.3 | Very high | 45 Ų | 45 | 87 Ų | 87 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | D104 F105 C111 N112 | D104-A108 WeakPolarHBondContact O-CB 3.38Å; D104-A108 PolarHBondContact O-N 3.08Å; F105-A108 PolarHBondContact O-N 3.37Å; A108-C111 PolarHBondContact O-N 2.96Å; A108-N112 WeakPolarHBondContact O-CB 3.42Å; A108-N112 PolarHBondContact O-N 2.9Å; A108-N112 PolarHBondContact O-ND2 3.26Å |
| 109 | N | 96.7 | Very high | 95.6 | Very high | 90 Ų | 90 | 83.9 Ų | 83.9 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 178.1 | -75 | -22.7 | 0 | 0 | 0 | 112.4 | F105 I106 K107 N112 K113 | F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.27Å; F105-N109 PolarHBondContact O-N 3.48Å; F105-N109 PolarHBondContact O-ND2 2.92Å; I106-N109 PolarHBondContact O-N 3.09Å; K107-N109 VanDerWaalsContact C-N 3.34Å; K107-N109 PolarHBondContact O-N 2.82Å; N109-N112 PolarHBondContact O-N 3.39Å; N109-K113 WeakPolarHBondContact O-CG 3.35Å; N109-K113 PolarHBondContact O-N 2.91Å; N109-K113 VanDerWaalsContact O-N 3.11Å |
| 110 | A | 96 | Very high | 95.9 | Very high | 45 Ų | 45 | 86.5 Ų | 86.5 | 37% | 0.372 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -48 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | I106 K107 N112 K113 L114 | I106-A110 WeakPolarHBondContact O-CB 3.34Å; I106-A110 PolarHBondContact O-N 2.94Å; K107-A110 PolarHBondContact O-N 3.24Å; A110-N112 VanDerWaalsContact C-N 3.34Å; A110-N112 PolarHBondContact O-N 3.43Å; A110-K113 PolarHBondContact O-N 3.08Å; A110-L114 WeakPolarHBondContact O-CB 3.43Å; A110-L114 VanDerWaalsContact O-CG 3.31Å; A110-L114 WeakPolarHBondContact O-CG 3.21Å; A110-L114 PolarHBondContact O-N 3.42Å |
| 111 | C | 96.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 87.5 Ų | 87.5 | 37% | 0.365 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 176 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | K107 A108 K113 L114 T115 | K107-C111 WeakPolarHBondContact O-CB 3.36Å; K107-C111 PolarHBondContact O-N 3Å; K107-C111 PolarHBondContact O-SG 2.76Å; A108-C111 PolarHBondContact O-N 2.96Å; C111-K113 VanDerWaalsContact C-N 3.35Å; C111-K113 PolarHBondContact O-N 2.88Å; C111-L114 PolarHBondContact O-N 3.29Å; C111-T115 PolarHBondContact O-N 3.41Å; C111-T115 PolarHBondContact O-OG1 3.3Å |
| 112 | N | 96.3 | Very high | 96.3 | Very high | 104 Ų | 104 | 89.8 Ų | 89.8 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.7 | -43.9 | 178.1 | -70.4 | -20.4 | 0 | 0 | 0 | 112 | A108 N109 A110 T115 V116 | A108-N112 WeakPolarHBondContact O-CB 3.42Å; A108-N112 PolarHBondContact O-N 2.9Å; A108-N112 PolarHBondContact O-ND2 3.26Å; N109-N112 PolarHBondContact O-N 3.39Å; A110-N112 VanDerWaalsContact C-N 3.34Å; A110-N112 PolarHBondContact O-N 3.43Å; N112-T115 PolarHBondContact O-N 2.93Å; N112-V116 PolarHBondContact O-N 2.8Å |
| 113 | K | 96.1 | Very high | 96.5 | Very high | 154 Ų | 154 | 95.3 Ų | 95.3 | 67% | 0.67 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.7 | -42.8 | 176.9 | -70 | 176.7 | -178.2 | -178.5 | 0 | 112.1 | N109 A110 C111 T115 V116 I117 | N109-K113 WeakPolarHBondContact O-CG 3.35Å; N109-K113 PolarHBondContact O-N 2.91Å; N109-K113 VanDerWaalsContact O-N 3.11Å; A110-K113 PolarHBondContact O-N 3.08Å; C111-K113 VanDerWaalsContact C-N 3.35Å; C111-K113 PolarHBondContact O-N 2.88Å; K113-T115 VanDerWaalsContact C-N 3.31Å; K113-T115 PolarHBondContact O-N 2.8Å; K113-V116 PolarHBondContact O-N 2.86Å; K113-I117 PolarHBondContact O-N 3.31Å |
| 114 | L | 97.8 | Very high | 96.7 | Very high | 110 Ų | 110 | 97.6 Ų | 97.6 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.2 | -34.9 | 178.3 | -71.3 | 174.1 | 0 | 0 | 0 | 112.1 | A110 C111 V116 I117 A118 | A110-L114 WeakPolarHBondContact O-CB 3.43Å; A110-L114 VanDerWaalsContact O-CG 3.31Å; A110-L114 WeakPolarHBondContact O-CG 3.21Å; A110-L114 PolarHBondContact O-N 3.42Å; C111-L114 PolarHBondContact O-N 3.29Å; L114-V116 PolarHBondContact O-N 3.37Å; L114-I117 PolarHBondContact O-N 3.09Å; L114-A118 WeakPolarHBondContact O-CB 3.4Å; L114-A118 PolarHBondContact O-N 3.5Å |
| 115 | T | 97.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 99.9 Ų | 99.9 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | C111 N112 K113 I117 A118 D119 | C111-T115 PolarHBondContact O-N 3.41Å; C111-T115 PolarHBondContact O-OG1 3.3Å; N112-T115 PolarHBondContact O-N 2.93Å; K113-T115 VanDerWaalsContact C-N 3.31Å; K113-T115 PolarHBondContact O-N 2.8Å; T115-I117 VanDerWaalsContact C-N 3.33Å; T115-I117 PolarHBondContact O-N 2.86Å; T115-A118 PolarHBondContact O-N 3.26Å; T115-D119 PolarHBondContact O-N 3.33Å |
| 116 | V | 97.2 | Very high | 97 | Very high | 84 Ų | 84 | 97.4 Ų | 97.4 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 177 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | N112 K113 L114 D119 Q120 | N112-V116 PolarHBondContact O-N 2.8Å; K113-V116 PolarHBondContact O-N 2.86Å; L114-V116 PolarHBondContact O-N 3.37Å; V116-D119 PolarHBondContact O-N 3.26Å; V116-Q120 WeakPolarHBondContact O-CG 3.34Å; V116-Q120 PolarHBondContact O-N 3.02Å |
| 117 | I | 96.3 | Very high | 97 | Very high | 85 Ų | 85 | 95.5 Ų | 95.5 | 44% | 0.436 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.8 | -64 | 169.7 | 0 | 0 | 0 | 110.4 | K113 L114 T115 D119 Q120 I121 | K113-I117 PolarHBondContact O-N 3.31Å; L114-I117 PolarHBondContact O-N 3.09Å; T115-I117 VanDerWaalsContact C-N 3.33Å; T115-I117 PolarHBondContact O-N 2.86Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 2.91Å; I117-Q120 WeakPolarHBondContact O-CB 3.33Å; I117-Q120 PolarHBondContact O-N 3.46Å; I117-I121 HydrophobicContact CG2-CD1 3.89Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 WeakPolarHBondContact O-CG1 3.13Å; I117-I121 PolarHBondContact O-N 2.83Å |
| 118 | A | 95.4 | Very high | 97.1 | Very high | 55 Ų | 55 | 92.3 Ų | 92.3 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L114 T115 I121 R122 | L114-A118 WeakPolarHBondContact O-CB 3.4Å; L114-A118 PolarHBondContact O-N 3.5Å; T115-A118 PolarHBondContact O-N 3.26Å; A118-I121 PolarHBondContact O-N 2.89Å; A118-R122 WeakPolarHBondContact O-CB 3.33Å; A118-R122 PolarHBondContact O-N 3.48Å |
| 119 | D | 97.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 96.2 Ų | 96.2 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 175 | -85 | -37.5 | 0 | 0 | 0 | 112.5 | T115 V116 I117 R122 Y123 | T115-D119 PolarHBondContact O-N 3.33Å; V116-D119 PolarHBondContact O-N 3.26Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 2.91Å; D119-R122 PolarHBondContact O-N 3.27Å; D119-R122 IonicContact OD1-CZ 3.62Å; D119-R122 IonicContact OD1-NE 2.65Å; D119-R122 PolarHBondContact OD1-NE 3.13Å; D119-R122 IonicContact OD1-NH2 2.84Å; D119-R122 PolarHBondContact OD1-NH2 3.41Å; D119-Y123 WeakPolarHBondContact O-CB 3.28Å; D119-Y123 PolarHBondContact O-N 2.97Å |
| 120 | Q | 98.1 | Very high | 97.3 | Very high | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.4 | -72.3 | 176 | -19.7 | 0 | 0 | 111.9 | V116 I117 R122 Y123 L124 | V116-Q120 WeakPolarHBondContact O-CG 3.34Å; V116-Q120 PolarHBondContact O-N 3.02Å; I117-Q120 WeakPolarHBondContact O-CB 3.33Å; I117-Q120 PolarHBondContact O-N 3.46Å; Q120-R122 VanDerWaalsContact C-N 3.34Å; Q120-R122 PolarHBondContact O-N 3.41Å; Q120-Y123 PolarHBondContact O-N 3.45Å; Q120-L124 WeakPolarHBondContact O-CG 3.39Å; Q120-L124 PolarHBondContact O-N 2.95Å |
| 121 | I | 97.2 | Very high | 97.3 | Very high | 85 Ų | 85 | 98 Ų | 98 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.4 | -69.3 | 168.3 | 0 | 0 | 0 | 110.3 | I117 A118 Y123 L124 Q125 | I117-I121 HydrophobicContact CG2-CD1 3.89Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 WeakPolarHBondContact O-CG1 3.13Å; I117-I121 PolarHBondContact O-N 2.83Å; A118-I121 PolarHBondContact O-N 2.89Å; I121-Y123 VanDerWaalsContact C-N 3.33Å; I121-Y123 PolarHBondContact O-N 3.28Å; I121-L124 PolarHBondContact O-N 2.89Å; I121-Q125 HydrophobicContact CG2-CG 4.38Å; I121-Q125 VanDerWaalsContact O-CG 3.3Å; I121-Q125 WeakPolarHBondContact O-CG 3.47Å; I121-Q125 PolarHBondContact O-N 2.9Å |
| 122 | R | 97.5 | Very high | 97.4 | Very high | 163 Ų | 163 | 101.2 Ų | 101.2 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 177.4 | -178.1 | 174.9 | 62.3 | 103.2 | -2.7 | 111.7 | A118 D119 Q120 Q125 E126 | A118-R122 WeakPolarHBondContact O-CB 3.33Å; A118-R122 PolarHBondContact O-N 3.48Å; D119-R122 PolarHBondContact O-N 3.27Å; D119-R122 IonicContact OD1-CZ 3.62Å; D119-R122 IonicContact OD1-NE 2.65Å; D119-R122 PolarHBondContact OD1-NE 3.13Å; D119-R122 IonicContact OD1-NH2 2.84Å; D119-R122 PolarHBondContact OD1-NH2 3.41Å; Q120-R122 VanDerWaalsContact C-N 3.34Å; Q120-R122 PolarHBondContact O-N 3.41Å; R122-Q125 PolarHBondContact O-N 3.38Å; R122-E126 PolarHBondContact O-N 2.9Å |
| 123 | Y | 98.1 | Very high | 97.4 | Very high | 145 Ų | 145 | 102.3 Ų | 102.3 | 57% | 0.569 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -47.1 | 175.3 | 175.5 | -98 | 0 | 0 | 0 | 111.5 | D119 Q120 I121 Q125 E126 Q127 | D119-Y123 WeakPolarHBondContact O-CB 3.28Å; D119-Y123 PolarHBondContact O-N 2.97Å; Q120-Y123 PolarHBondContact O-N 3.45Å; I121-Y123 VanDerWaalsContact C-N 3.33Å; I121-Y123 PolarHBondContact O-N 3.28Å; Y123-Q125 VanDerWaalsContact C-N 3.34Å; Y123-Q125 PolarHBondContact O-N 2.98Å; Y123-E126 WeakPolarHBondContact O-CB 3.13Å; Y123-E126 PolarHBondContact O-N 3.09Å; Y123-Q127 HydrophobicContact CD1-CG 4.14Å; Y123-Q127 HydrophobicContact CE1-CG 3.7Å; Y123-Q127 HydrophobicContact CE2-CG 4.26Å; Y123-Q127 WeakPolarHBondContact O-CG 2.98Å; Y123-Q127 PolarHBondContact O-N 3.01Å |
| 124 | L | 98.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 177.9 | -70 | 173.6 | 0 | 0 | 0 | 112.4 | Q120 I121 E126 Q127 A128 | Q120-L124 WeakPolarHBondContact O-CG 3.39Å; Q120-L124 PolarHBondContact O-N 2.95Å; I121-L124 PolarHBondContact O-N 2.89Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 3.37Å; L124-Q127 PolarHBondContact O-N 3.48Å; L124-A128 WeakPolarHBondContact O-CB 3.18Å; L124-A128 PolarHBondContact O-N 3.33Å |
| 125 | Q | 98.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 97 Ų | 97 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 174.7 | -73.8 | 173.1 | -12.1 | 0 | 0 | 111.7 | I121 R122 Y123 A128 K129 | I121-Q125 HydrophobicContact CG2-CG 4.38Å; I121-Q125 VanDerWaalsContact O-CG 3.3Å; I121-Q125 WeakPolarHBondContact O-CG 3.47Å; I121-Q125 PolarHBondContact O-N 2.9Å; R122-Q125 PolarHBondContact O-N 3.38Å; Y123-Q125 VanDerWaalsContact C-N 3.34Å; Y123-Q125 PolarHBondContact O-N 2.98Å; Q125-A128 PolarHBondContact O-N 3.39Å; Q125-K129 PolarHBondContact O-N 3.16Å |
| 126 | E | 98.1 | Very high | 97.3 | Very high | 89 Ų | 89 | 99.9 Ų | 99.9 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.8 | -173.9 | 59.4 | -151.3 | 0 | 0 | 111.7 | R122 Y123 L124 K129 K130 | R122-E126 PolarHBondContact O-N 2.9Å; Y123-E126 WeakPolarHBondContact O-CB 3.13Å; Y123-E126 PolarHBondContact O-N 3.09Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 3.37Å; E126-K129 WeakPolarHBondContact O-CB 3.32Å; E126-K129 PolarHBondContact O-N 2.97Å; E126-K130 WeakPolarHBondContact O-CG 3.4Å; E126-K130 PolarHBondContact O-N 3.32Å; E126-K130 WeakPolarHBondContact OE1-CE 3.16Å |
| 127 | Q | 98.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 99.5 Ų | 99.5 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 173.7 | -67.2 | -57 | -51.6 | 0 | 0 | 111.6 | Y123 L124 K129 K130 V131 | Y123-Q127 HydrophobicContact CD1-CG 4.14Å; Y123-Q127 HydrophobicContact CE1-CG 3.7Å; Y123-Q127 HydrophobicContact CE2-CG 4.26Å; Y123-Q127 WeakPolarHBondContact O-CG 2.98Å; Y123-Q127 PolarHBondContact O-N 3.01Å; L124-Q127 PolarHBondContact O-N 3.48Å; Q127-K129 VanDerWaalsContact C-N 3.29Å; Q127-K129 PolarHBondContact O-N 3.29Å; Q127-K130 PolarHBondContact O-N 3.09Å; Q127-V131 WeakPolarHBondContact O-CG2 3.26Å; Q127-V131 PolarHBondContact O-N 3.42Å |
| 128 | A | 97.7 | Very high | 97.3 | Very high | 54 Ų | 54 | 96.8 Ų | 96.8 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L124 Q125 V131 L132 | L124-A128 WeakPolarHBondContact O-CB 3.18Å; L124-A128 PolarHBondContact O-N 3.33Å; Q125-A128 PolarHBondContact O-N 3.39Å; A128-V131 PolarHBondContact O-N 3.24Å; A128-L132 WeakPolarHBondContact O-CG 3.33Å; A128-L132 PolarHBondContact O-N 3.03Å; A128-L132 VanDerWaalsContact O-N 3.09Å |
| 129 | K | 98.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 96 Ų | 96 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.9 | -47.8 | 175.4 | -123.7 | -178.9 | -178.9 | -179.3 | 0 | 112 | Q125 E126 Q127 V131 L132 E133 | Q125-K129 PolarHBondContact O-N 3.16Å; E126-K129 WeakPolarHBondContact O-CB 3.32Å; E126-K129 PolarHBondContact O-N 2.97Å; Q127-K129 VanDerWaalsContact C-N 3.29Å; Q127-K129 PolarHBondContact O-N 3.29Å; K129-V131 PolarHBondContact O-N 3.2Å; K129-L132 PolarHBondContact O-N 3.14Å; K129-E133 WeakPolarHBondContact O-CG 3.28Å; K129-E133 PolarHBondContact O-N 3.24Å |
| 130 | K | 97.1 | Very high | 97.2 | Very high | 87 Ų | 87 | 97.3 Ų | 97.3 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 177.5 | -71.8 | 174.3 | -179.4 | 179.2 | 0 | 111.6 | E126 Q127 L132 E133 E134 | E126-K130 WeakPolarHBondContact O-CG 3.4Å; E126-K130 PolarHBondContact O-N 3.32Å; E126-K130 WeakPolarHBondContact OE1-CE 3.16Å; Q127-K130 PolarHBondContact O-N 3.09Å; K130-L132 VanDerWaalsContact C-N 3.27Å; K130-L132 PolarHBondContact O-N 2.87Å; K130-E133 PolarHBondContact O-N 3.21Å; K130-E133 VanDerWaalsContact O-N 3.16Å; K130-E134 WeakPolarHBondContact O-CB 3.48Å; K130-E134 VanDerWaalsContact O-CG 3.25Å; K130-E134 WeakPolarHBondContact O-CG 3.36Å; K130-E134 PolarHBondContact O-N 2.94Å |
| 131 | V | 97 | Very high | 97.1 | Very high | 86 Ų | 86 | 92.4 Ų | 92.4 | 52% | 0.521 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57 | -41.8 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | Q127 A128 K129 A135 | Q127-V131 WeakPolarHBondContact O-CG2 3.26Å; Q127-V131 PolarHBondContact O-N 3.42Å; A128-V131 PolarHBondContact O-N 3.24Å; K129-V131 PolarHBondContact O-N 3.2Å; V131-A135 VanDerWaalsContact O-CB 3.28Å; V131-A135 WeakPolarHBondContact O-CB 3.38Å; V131-A135 PolarHBondContact O-N 3.48Å |
| 132 | L | 97.4 | Very high | 97 | Very high | 122 Ų | 122 | 91.5 Ų | 91.5 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 177.9 | -70.5 | 172.1 | 0 | 0 | 0 | 112.9 | A128 K129 K130 K136 | A128-L132 WeakPolarHBondContact O-CG 3.33Å; A128-L132 PolarHBondContact O-N 3.03Å; A128-L132 VanDerWaalsContact O-N 3.09Å; K129-L132 PolarHBondContact O-N 3.14Å; K130-L132 VanDerWaalsContact C-N 3.27Å; K130-L132 PolarHBondContact O-N 2.87Å; L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 PolarHBondContact O-N 3.41Å |
| 133 | E | 97.3 | Very high | 96.9 | Very high | 126 Ų | 126 | 91.5 Ų | 91.5 | 59% | 0.589 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 176 | -72.2 | 179.3 | 175.8 | 0 | 0 | 111.5 | K129 K130 K136 R137 | K129-E133 WeakPolarHBondContact O-CG 3.28Å; K129-E133 PolarHBondContact O-N 3.24Å; K130-E133 PolarHBondContact O-N 3.21Å; K130-E133 VanDerWaalsContact O-N 3.16Å; E133-K136 PolarHBondContact O-N 3.19Å; E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 PolarHBondContact O-N 3.37Å |
| 134 | E | 95.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 85.3 Ų | 85.3 | 46% | 0.458 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 175.4 | -69.2 | 178 | -178 | 0 | 0 | 111.6 | K130 K136 R137 D138 | K130-E134 WeakPolarHBondContact O-CB 3.48Å; K130-E134 VanDerWaalsContact O-CG 3.25Å; K130-E134 WeakPolarHBondContact O-CG 3.36Å; K130-E134 PolarHBondContact O-N 2.94Å; E134-K136 VanDerWaalsContact C-N 3.33Å; E134-K136 PolarHBondContact O-N 2.91Å; E134-R137 VanDerWaalsContact CA-NH2 3.3Å; E134-R137 VanDerWaalsContact CB-NH2 3.34Å; E134-R137 VanDerWaalsContact CG-NH2 3.34Å; E134-R137 PolarHBondContact O-N 2.89Å; E134-D138 WeakPolarHBondContact O-CB 3.35Å; E134-D138 PolarHBondContact O-N 3.38Å |
| 135 | A | 96.4 | Very high | 96.6 | Very high | 55 Ų | 55 | 81.5 Ų | 81.5 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V131 D138 A139 | V131-A135 VanDerWaalsContact O-CB 3.28Å; V131-A135 WeakPolarHBondContact O-CB 3.38Å; V131-A135 PolarHBondContact O-N 3.48Å; A135-D138 PolarHBondContact O-N 3.45Å; A135-A139 WeakPolarHBondContact O-CB 3.25Å; A135-A139 PolarHBondContact O-N 3.05Å |
| 136 | K | 97 | Very high | 96.3 | Very high | 141 Ų | 141 | 77.2 Ų | 77.2 | 61% | 0.613 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.8 | -48 | 175.7 | -178.7 | -177.3 | 177 | -177.6 | 0 | 111.2 | L132 E133 E134 D138 A139 D140 | L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 PolarHBondContact O-N 3.41Å; E133-K136 PolarHBondContact O-N 3.19Å; E134-K136 VanDerWaalsContact C-N 3.33Å; E134-K136 PolarHBondContact O-N 2.91Å; K136-D138 VanDerWaalsContact C-N 3.34Å; K136-D138 PolarHBondContact O-N 3.23Å; K136-A139 WeakPolarHBondContact O-CB 3.43Å; K136-A139 PolarHBondContact O-N 3.38Å; K136-D140 PolarHBondContact O-N 2.93Å |
| 137 | R | 95.9 | Very high | 96 | Very high | 76 Ų | 76 | 80.7 Ų | 80.7 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 177.9 | 177.6 | -174.3 | 44.1 | 52.6 | 2.3 | 110.9 | E133 E134 A139 D140 L141 W196 | E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 PolarHBondContact O-N 3.37Å; E134-R137 VanDerWaalsContact CA-NH2 3.3Å; E134-R137 VanDerWaalsContact CB-NH2 3.34Å; E134-R137 VanDerWaalsContact CG-NH2 3.34Å; E134-R137 PolarHBondContact O-N 2.89Å; R137-A139 VanDerWaalsContact C-N 3.33Å; R137-A139 PolarHBondContact O-N 3.06Å; R137-D140 PolarHBondContact O-N 3.27Å; R137-L141 HydrophobicContact CG-CD1 4.06Å; R137-L141 VanDerWaalsContact O-CG 3.26Å; R137-L141 WeakPolarHBondContact O-CG 3.38Å; R137-L141 PolarHBondContact O-N 2.91Å; R137-W196 PolarHBondContact NH1-O 3.09Å |
| 138 | D | 96.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 80.6 Ų | 80.6 | 14% | 0.144 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.1 | -79.8 | -5.1 | 0 | 0 | 0 | 111.4 | E134 A135 K136 L141 H142 S195 W196 | E134-D138 WeakPolarHBondContact O-CB 3.35Å; E134-D138 PolarHBondContact O-N 3.38Å; A135-D138 PolarHBondContact O-N 3.45Å; K136-D138 VanDerWaalsContact C-N 3.34Å; K136-D138 PolarHBondContact O-N 3.23Å; D138-L141 PolarHBondContact O-N 3.03Å; D138-H142 WeakPolarHBondContact O-CB 3.34Å; D138-H142 PolarHBondContact O-CD2 3.26Å; D138-H142 PolarHBondContact O-N 3.28Å; D138-S195 WeakPolarHBondContact OD2-CA 3.38Å; D138-W196 WeakPolarHBondContact OD1-CB 3.46Å; D138-W196 PolarHBondContact OD1-N 3.44Å; D138-W196 VanDerWaalsContact OD1-N 3.08Å |
| 139 | A | 96.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 83.8 Ų | 83.8 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A135 K136 R137 L141 H142 H143 | A135-A139 WeakPolarHBondContact O-CB 3.25Å; A135-A139 PolarHBondContact O-N 3.05Å; K136-A139 WeakPolarHBondContact O-CB 3.43Å; K136-A139 PolarHBondContact O-N 3.38Å; R137-A139 VanDerWaalsContact C-N 3.33Å; R137-A139 PolarHBondContact O-N 3.06Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; A139-H142 PolarHBondContact O-N 3.41Å; A139-H143 PolarHBondContact O-N 2.93Å; A139-H143 PolarHBondContact O-ND1 3.48Å |
| 140 | D | 95.2 | Very high | 95.2 | Very high | 100 Ų | 100 | 79.8 Ų | 79.8 | 54% | 0.535 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 178.6 | -72.9 | -17.9 | 0 | 0 | 0 | 111.8 | K136 R137 H143 A144 | K136-D140 PolarHBondContact O-N 2.93Å; R137-D140 PolarHBondContact O-N 3.27Å; D140-H143 PolarHBondContact O-N 3.23Å; D140-A144 PolarHBondContact O-N 3.23Å |
| 141 | L | 95.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 81.8 Ų | 81.8 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 176.8 | -65.4 | 171.3 | 0 | 0 | 0 | 111.5 | R137 D138 A139 H143 A144 K150 L158 F168 F188 W196 | R137-L141 HydrophobicContact CG-CD1 4.06Å; R137-L141 VanDerWaalsContact O-CG 3.26Å; R137-L141 WeakPolarHBondContact O-CG 3.38Å; R137-L141 PolarHBondContact O-N 2.91Å; D138-L141 PolarHBondContact O-N 3.03Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; L141-H143 VanDerWaalsContact C-N 3.29Å; L141-H143 PolarHBondContact O-N 3.11Å; L141-A144 WeakPolarHBondContact O-CB 3.36Å; L141-A144 PolarHBondContact O-N 2.85Å; L141-K150 PolarHBondContact O-NZ 2.89Å; L141-L158 HydrophobicContact CD2-CD2 4.04Å; L141-F168 HydrophobicContact CB-CE2 4.11Å; L141-F168 HydrophobicContact CB-CZ 4.04Å; L141-F168 HydrophobicContact CD2-CE1 4.41Å; L141-F168 HydrophobicContact CD2-CE2 4.35Å; L141-F168 HydrophobicContact CD2-CZ 3.65Å; L141-F168 HydrophobicContact CG-CZ 4.34Å; L141-F168 WeakPolarHBondContact O-CE2 3.47Å; L141-F188 HydrophobicContact CD1-CD1 3.89Å; L141-F188 HydrophobicContact CD1-CE1 4.05Å; L141-F188 HydrophobicContact CD1-CG 4.19Å; L141-F188 HydrophobicContact CD1-CZ 4.47Å; L141-F188 HydrophobicContact CD2-CD2 4.24Å; L141-F188 HydrophobicContact CD2-CE2 4.05Å; L141-F188 HydrophobicContact CD2-CZ 4.27Å; L141-W196 HydrophobicContact CB-CD2 4.06Å; L141-W196 HydrophobicContact CB-CG 3.92Å; L141-W196 HydrophobicContact CD1-CB 3.49Å; L141-W196 VanDerWaalsContact CD1-CB 3.49Å; L141-W196 HydrophobicContact CD1-CD2 4.17Å; L141-W196 HydrophobicContact CD1-CG 3.59Å; L141-W196 HydrophobicContact CG-CG 4.42Å |
| 142 | H | 96 | Very high | 95.1 | Very high | 66 Ų | 66 | 80.3 Ų | 80.3 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 173.9 | -82.2 | -52.2 | 0 | 0 | 0 | 112.4 | D138 A139 K150 M194 W196 | D138-H142 WeakPolarHBondContact O-CB 3.34Å; D138-H142 PolarHBondContact O-CD2 3.26Å; D138-H142 PolarHBondContact O-N 3.28Å; A139-H142 PolarHBondContact O-N 3.41Å; H142-K150 PolarHBondContact O-NZ 2.89Å; H142-M194 PolarHBondContact CE1-O 2.85Å; H142-M194 PolarHBondContact NE2-O 3.12Å; H142-W196 AromaticContact CD2-NE1 3.48Å; H142-W196 PolarHBondContact CD2-NE1 2.94Å; H142-W196 AromaticContact CE1-CE2 3.89Å; H142-W196 AromaticContact CE1-NE1 3.22Å; H142-W196 PolarHBondContact CE1-NE1 3.46Å; H142-W196 AromaticContact CG-NE1 3.57Å; H142-W196 AromaticContact ND1-NE1 3.41Å; H142-W196 PolarHBondContact ND1-NE1 3.29Å; H142-W196 AromaticContact NE2-CD1 3.76Å; H142-W196 AromaticContact NE2-NE1 3.25Å; H142-W196 PolarHBondContact NE2-NE1 3.41Å |
| 143 | H | 94.6 | Very high | 94.9 | Very high | 163 Ų | 163 | 76 Ų | 76 | 76% | 0.755 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -81 | -13.7 | 177.4 | -69.3 | 88.5 | 0 | 0 | 0 | 114.3 | A139 D140 L141 A145 | A139-H143 PolarHBondContact O-N 2.93Å; A139-H143 PolarHBondContact O-ND1 3.48Å; D140-H143 PolarHBondContact O-N 3.23Å; L141-H143 VanDerWaalsContact C-N 3.29Å; L141-H143 PolarHBondContact O-N 3.11Å; H143-A145 PolarHBondContact O-N 3.4Å |
| 144 | A | 94.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 73.4 Ų | 73.4 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -57.8 | 137.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D140 L141 C146 L158 F168 | D140-A144 PolarHBondContact O-N 3.23Å; L141-A144 WeakPolarHBondContact O-CB 3.36Å; L141-A144 PolarHBondContact O-N 2.85Å; A144-C146 PolarHBondContact O-N 3.29Å; A144-L158 HydrophobicContact CB-CD1 4.1Å; A144-F168 HydrophobicContact CB-CD2 4.01Å; A144-F168 HydrophobicContact CB-CE2 4.09Å |
| 145 | A | 94.8 | Very high | 94.9 | Very high | 31 Ų | 31 | 71.2 Ų | 71.2 | 26% | 0.256 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -58.3 | 134.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H143 Q165 K166 Y167 F168 | H143-A145 PolarHBondContact O-N 3.4Å; A145-Q165 HydrophobicContact CB-CG 4.43Å; A145-K166 PolarHBondContact N-O 3.39Å; A145-Y167 CarbonylContact O-C 3.6Å; A145-Y167 WeakPolarHBondContact O-CA 3.35Å; A145-Y167 WeakPolarHBondContact O-CB 3.31Å; A145-F168 PolarHBondContact O-N 3.42Å |
| 146 | C | 92.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 68.7 Ų | 68.7 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | trans | -151.9 | 124.6 | -175.2 | -161 | 0 | 0 | 0 | 0 | 109.4 | A144 I148 F168 | A144-C146 PolarHBondContact O-N 3.29Å; C146-I148 VanDerWaalsContact C-N 3.29Å; C146-I148 WeakPolarHBondContact SG-CG1 3.5Å; C146-I148 PolarHBondContact SG-O 3.49Å; C146-I148 VanDerWaalsContact SG-O 3.36Å; C146-F168 HydrophobicContact CB-CB 4.47Å | ||
| 147 | N | 92.8 | Very high | 94.8 | Very high | 163 Ų | 163 | 64.2 Ų | 64.2 | 87% | 0.872 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -93 | 9.5 | 177.9 | -65.7 | -10.3 | 0 | 0 | 0 | 112.3 | ||
| 148 | I | 90.9 | Very high | 94.8 | Very high | 67 Ų | 67 | 61.2 Ų | 61.2 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -128.1 | 151.8 | -178.4 | 57 | 173.9 | 0 | 0 | 0 | 109.5 | C146 K150 Y156 I170 | C146-I148 VanDerWaalsContact C-N 3.29Å; C146-I148 WeakPolarHBondContact SG-CG1 3.5Å; C146-I148 PolarHBondContact SG-O 3.49Å; C146-I148 VanDerWaalsContact SG-O 3.36Å; I148-K150 PolarHBondContact O-N 2.93Å; I148-Y156 HydrophobicContact CD1-CD1 4.14Å; I148-Y156 HydrophobicContact CD1-CE1 3.85Å; I148-I170 HydrophobicContact CD1-CB 4.34Å; I148-I170 HydrophobicContact CD1-CG1 4.42Å; I148-I170 HydrophobicContact CD1-CG2 3.35Å |
| 149 | V | 91.8 | Very high | 94.8 | Very high | 121 Ų | 121 | 59.9 Ų | 59.9 | 73% | 0.733 | 33% | 0.328 | S | S | * | . | trans | -73.4 | 122.8 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | K151 | V149-K151 PolarHBondContact O-N 3.5Š| ||
| 150 | K | 93.8 | Very high | 94.8 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 18% | 0.183 | 33% | 0.328 | C | S | . | . | trans | -70.7 | 109.9 | 176.7 | -64 | 173 | 177.6 | 179.6 | 0 | 109.3 | L141 H142 I148 Y156 L190 W196 | L141-K150 PolarHBondContact O-NZ 2.89Å; H142-K150 PolarHBondContact O-NZ 2.89Å; I148-K150 PolarHBondContact O-N 2.93Å; K150-Y156 WeakPolarHBondContact CA-OH 3.38Å; K150-L190 HydrophobicContact CB-CD2 3.82Å; K150-W196 HydrophobicContact CD-CH2 4.18Å; K150-W196 HydrophobicContact CD-CZ2 3.9Å | ||
| 151 | K | 95.4 | Very high | 94.7 | Very high | 130 Ų | 130 | 61.1 Ų | 61.1 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | trans | -99.4 | 131 | 172.1 | -60.3 | -174.6 | -179.2 | -177.5 | 0 | 110.6 | V149 Y156 | V149-K151 PolarHBondContact O-N 3.5Å; K151-Y156 PolarHBondContact N-OH 2.84Å; K151-Y156 PolarHBondContact O-OH 2.87Å | ||
| 152 | P | 96 | Very high | 94.6 | Very high | 54 Ų | 54 | 66.7 Ų | 66.7 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 152.5 | 169.4 | -26.4 | 35.9 | 0 | 0 | 0 | 112.8 | N154 L190 M194 | P152-N154 PolarHBondContact O-N 3.29Å; P152-L190 CarbonylContact C-O 3.58Å; P152-M194 HydrophobicContact CG-SD 3.84Å |
| 153 | G | 94.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 68.1 Ų | 68.1 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -18.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L190 | G153-L190 PolarHBondContact N-O 3.11Š|
| 154 | N | 95.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | trans | -86.4 | 153.4 | -177.7 | -70.1 | -7.7 | 0 | 0 | 0 | 112.9 | P152 Y156 K189 L190 | P152-N154 PolarHBondContact O-N 3.29Å; N154-Y156 HydrophobicContact CB-CE2 3.66Å; N154-Y156 WeakPolarHBondContact O-CD2 3.49Å; N154-Y156 WeakPolarHBondContact O-CE2 3.38Å; N154-K189 WeakPolarHBondContact O-CA 3.5Å; N154-L190 PolarHBondContact O-N 3.12Å; N154-L190 VanDerWaalsContact O-N 3.07Å | ||
| 155 | M | 96 | Very high | 94.4 | Very high | 51 Ų | 51 | 66.4 Ų | 66.4 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 137.8 | 170.7 | -166 | 65.2 | 66.6 | 0 | 0 | 110.5 | Y157 A187 K189 V199 V202 | M155-Y157 HydrophobicContact CB-CE2 4.36Å; M155-Y157 HydrophobicContact CG-CE1 4.13Å; M155-Y157 HydrophobicContact CG-CE2 3.93Å; M155-A187 HydrophobicContact SD-CB 4.34Å; M155-K189 HydrophobicContact CE-CB 4.02Å; M155-K189 HydrophobicContact SD-CB 4.16Å; M155-V199 HydrophobicContact CE-CB 4.46Å; M155-V199 HydrophobicContact CE-CG2 3.94Å; M155-V199 HydrophobicContact SD-CB 4.34Å; M155-V199 HydrophobicContact SD-CG2 4.3Å; M155-V202 HydrophobicContact CE-CG2 4.33Å |
| 156 | Y | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.5 | 176.6 | -59.6 | -92.1 | 0 | 0 | 0 | 109.9 | I148 K150 K151 N154 I170 A187 F188 L190 W196 | I148-Y156 HydrophobicContact CD1-CD1 4.14Å; I148-Y156 HydrophobicContact CD1-CE1 3.85Å; K150-Y156 WeakPolarHBondContact CA-OH 3.38Å; K151-Y156 PolarHBondContact N-OH 2.84Å; K151-Y156 PolarHBondContact O-OH 2.87Å; N154-Y156 HydrophobicContact CB-CE2 3.66Å; N154-Y156 WeakPolarHBondContact O-CD2 3.49Å; N154-Y156 WeakPolarHBondContact O-CE2 3.38Å; Y156-I170 HydrophobicContact CD1-CG2 4.35Å; Y156-I170 HydrophobicContact CE1-CG2 4.22Å; Y156-A187 CarbonylContact O-C 3.51Å; Y156-A187 WeakPolarHBondContact O-CA 3.42Å; Y156-F188 PolarHBondContact N-O 3.03Å; Y156-F188 PolarHBondContact O-N 3.46Å; Y156-L190 HydrophobicContact CD2-CB 4.17Å; Y156-L190 HydrophobicContact CE2-CB 3.78Å; Y156-L190 HydrophobicContact CE2-CD2 4.43Å; Y156-W196 AromaticContact CD2-CH2 3.81Å; Y156-W196 HydrophobicContact CD2-CH2 3.81Å; Y156-W196 AromaticContact CD2-CZ3 3.49Å; Y156-W196 HydrophobicContact CD2-CZ3 3.49Å; Y156-W196 VanDerWaalsContact CD2-CZ3 3.49Å; Y156-W196 HydrophobicContact CE2-CH2 4.3Å; Y156-W196 HydrophobicContact CE2-CZ3 4.26Å; Y156-W196 HydrophobicContact CG-CH2 4.09Å; Y156-W196 AromaticContact CG-CZ3 3.93Å; Y156-W196 HydrophobicContact CG-CZ3 3.93Å |
| 157 | Y | 96.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.1 | -176.8 | -58.5 | -86.5 | 0 | 0 | 0 | 108.9 | M155 Y159 F168 S169 I170 F184 A187 | M155-Y157 HydrophobicContact CB-CE2 4.36Å; M155-Y157 HydrophobicContact CG-CE1 4.13Å; M155-Y157 HydrophobicContact CG-CE2 3.93Å; Y157-Y159 WeakPolarHBondContact O-CD2 3.3Å; Y157-F168 WeakPolarHBondContact O-CA 3.46Å; Y157-S169 PolarHBondContact N-O 3.35Å; Y157-S169 PolarHBondContact O-N 3.46Å; Y157-I170 WeakPolarHBondContact CE2-O 3.26Å; Y157-F184 AromaticContact CD1-CE2 3.92Å; Y157-F184 HydrophobicContact CD1-CE2 3.92Å; Y157-F184 HydrophobicContact CD1-CZ 4.41Å; Y157-A187 HydrophobicContact CD1-CB 3.54Å; Y157-A187 HydrophobicContact CE1-CB 3.63Å |
| 158 | L | 95.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.2 | -177.6 | -168.7 | 70.3 | 0 | 0 | 0 | 110 | L141 A144 K166 F168 L185 G186 F188 | L141-L158 HydrophobicContact CD2-CD2 4.04Å; A144-L158 HydrophobicContact CB-CD1 4.1Å; L158-K166 HydrophobicContact CD1-CB 4.19Å; L158-K166 HydrophobicContact CD2-CD 4.43Å; L158-F168 HydrophobicContact CB-CD1 4.03Å; L158-F168 HydrophobicContact CB-CE1 3.83Å; L158-F168 HydrophobicContact CD1-CD1 3.82Å; L158-F168 HydrophobicContact CD1-CD2 4.47Å; L158-F168 HydrophobicContact CD1-CE1 3.84Å; L158-F168 HydrophobicContact CD1-CG 4.17Å; L158-F168 HydrophobicContact CD1-CZ 4.22Å; L158-F168 HydrophobicContact CG-CE1 4.39Å; L158-L185 HydrophobicContact CB-CB 4.35Å; L158-L185 HydrophobicContact CD2-CB 4.17Å; L158-L185 HydrophobicContact CD2-CD1 4.11Å; L158-L185 HydrophobicContact CG-CB 4.27Å; L158-L185 HydrophobicContact CG-CD1 4.25Å; L158-L185 PolarHBondContact O-N 2.86Å; L158-G186 PolarHBondContact N-O 2.72Å; L158-F188 HydrophobicContact CB-CD2 4.47Å; L158-F188 HydrophobicContact CB-CE2 4.16Å; L158-F188 HydrophobicContact CD2-CE2 4.29Å |
| 159 | Y | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 162.4 | 178.8 | -64.2 | -85.7 | 0 | 0 | 0 | 111.1 | Y157 K166 Y167 I171 S172 P173 W176 H182 P183 F184 | Y157-Y159 WeakPolarHBondContact O-CD2 3.3Å; Y159-K166 WeakPolarHBondContact O-CA 3.41Å; Y159-Y167 HydrophobicContact CD2-CE2 4.48Å; Y159-Y167 PolarHBondContact N-O 3.17Å; Y159-Y167 PolarHBondContact O-N 3.27Å; Y159-I171 PolarHBondContact OH-O 3.28Å; Y159-S172 VanDerWaalsContact OH-C 3.27Å; Y159-P173 HydrophobicContact CE1-CG 4.28Å; Y159-P173 WeakPolarHBondContact OH-CD 3.43Å; Y159-P173 WeakPolarHBondContact OH-CG 3.4Å; Y159-W176 AromaticContact CZ-CD1 3.99Å; Y159-H182 HydrophobicContact CD1-CB 4.41Å; Y159-H182 WeakPolarHBondContact CD1-O 3.31Å; Y159-P183 WeakPolarHBondContact CA-O 3.47Å; Y159-F184 HydrophobicContact CD1-CB 4.16Å; Y159-F184 HydrophobicContact CD1-CD2 4.35Å; Y159-F184 HydrophobicContact CE1-CB 3.9Å; Y159-F184 AromaticContact CE1-CD2 3.87Å; Y159-F184 HydrophobicContact CE1-CD2 3.87Å; Y159-F184 HydrophobicContact CE1-CG 4.36Å |
| 160 | Q | 95.7 | Very high | 95 | Very high | 70 Ų | 70 | 59 Ų | 59 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127 | 175.8 | -163.8 | 172.6 | 25 | 0 | 0 | 112 | G164 H182 P183 L185 | Q160-G164 PolarHBondContact NE2-O 2.91Å; Q160-G164 VanDerWaalsContact NE2-O 3.14Å; Q160-H182 WeakPolarHBondContact O-CB 3.45Å; Q160-P183 PolarHBondContact N-O 3.42Å; Q160-P183 VanDerWaalsContact N-O 3.09Å; Q160-P183 WeakPolarHBondContact O-CD 3.39Å; Q160-L185 HydrophobicContact CB-CD1 4.04Å; Q160-L185 HydrophobicContact CB-CD2 4.46Å; Q160-L185 HydrophobicContact CB-CG 4.29Å |
| 161 | R | 94.6 | Very high | 95 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | trans | -74.1 | 161 | 171.6 | -69.3 | -175.7 | -179.8 | -88.9 | 2.1 | 111.2 | S163 G164 Q165 Y167 | R161-S163 PolarHBondContact O-N 3.41Å; R161-S163 VanDerWaalsContact O-N 3.13Å; R161-G164 WeakPolarHBondContact O-CA 3.38Å; R161-G164 PolarHBondContact O-N 3.27Å; R161-Q165 PolarHBondContact N-O 2.95Å; R161-Y167 HydrophobicContact CG-CD1 3.79Å; R161-Y167 HydrophobicContact CG-CE1 3.72Å | ||
| 162 | P | 93.5 | Very high | 94.9 | Very high | 129 Ų | 129 | 54.3 Ų | 54.3 | 84% | 0.838 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24 | 173.1 | -22.4 | 34.9 | 0 | 0 | 0 | 113.1 | G164 | P162-G164 PolarHBondContact O-N 3.41Š|
| 163 | S | 93.9 | Very high | 94.8 | Very high | 96 Ų | 96 | 53.6 Ų | 53.6 | 67% | 0.671 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6.3 | 172.2 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | R161 Q165 | R161-S163 PolarHBondContact O-N 3.41Å; R161-S163 VanDerWaalsContact O-N 3.13Å; S163-Q165 VanDerWaalsContact C-N 3.3Å |
| 164 | G | 92.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 87.5 | -10.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q160 R161 P162 K166 | Q160-G164 PolarHBondContact NE2-O 2.91Å; Q160-G164 VanDerWaalsContact NE2-O 3.14Å; R161-G164 WeakPolarHBondContact O-CA 3.38Å; R161-G164 PolarHBondContact O-N 3.27Å; P162-G164 PolarHBondContact O-N 3.41Å; G164-K166 PolarHBondContact O-N 2.88Å |
| 165 | Q | 94.6 | Very high | 94.6 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | trans | -67.6 | 126.5 | -179.5 | -171.4 | 179.6 | 41.2 | 0 | 0 | 111.5 | A145 R161 S163 | A145-Q165 HydrophobicContact CB-CG 4.43Å; R161-Q165 PolarHBondContact N-O 2.95Å; S163-Q165 VanDerWaalsContact C-N 3.3Å | ||
| 166 | K | 95.8 | Very high | 94.3 | Very high | 113 Ų | 113 | 65.5 Ų | 65.5 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.9 | 172.6 | -60.7 | -179.7 | -176.1 | 174.8 | 0 | 110.2 | A145 L158 Y159 G164 L185 | A145-K166 PolarHBondContact N-O 3.39Å; L158-K166 HydrophobicContact CD1-CB 4.19Å; L158-K166 HydrophobicContact CD2-CD 4.43Å; Y159-K166 WeakPolarHBondContact O-CA 3.41Å; G164-K166 PolarHBondContact O-N 2.88Å; K166-L185 HydrophobicContact CD-CD1 3.95Å; K166-L185 HydrophobicContact CG-CD1 3.9Å |
| 167 | Y | 95.6 | Very high | 93.9 | Very high | 28 Ų | 28 | 67 Ų | 67 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.9 | 178 | 75.4 | -79.7 | 0 | 0 | 0 | 112 | A145 Y159 R161 H182 | A145-Y167 CarbonylContact O-C 3.6Å; A145-Y167 WeakPolarHBondContact O-CA 3.35Å; A145-Y167 WeakPolarHBondContact O-CB 3.31Å; Y159-Y167 HydrophobicContact CD2-CE2 4.48Å; Y159-Y167 PolarHBondContact N-O 3.17Å; Y159-Y167 PolarHBondContact O-N 3.27Å; R161-Y167 HydrophobicContact CG-CD1 3.79Å; R161-Y167 HydrophobicContact CG-CE1 3.72Å; Y167-H182 HydrophobicContact CE1-CB 4.36Å; Y167-H182 AromaticContact CE1-ND1 3.84Å; Y167-H182 AromaticContact CZ-ND1 3.66Å; Y167-H182 PolarHBondContact OH-ND1 3.05Å |
| 168 | F | 96.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 71.4 Ų | 71.4 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 144.2 | 175.7 | -82.9 | -55.5 | 0 | 0 | 0 | 112.5 | L141 A144 A145 C146 Y157 L158 F188 W196 | L141-F168 HydrophobicContact CB-CE2 4.11Å; L141-F168 HydrophobicContact CB-CZ 4.04Å; L141-F168 HydrophobicContact CD2-CE1 4.41Å; L141-F168 HydrophobicContact CD2-CE2 4.35Å; L141-F168 HydrophobicContact CD2-CZ 3.65Å; L141-F168 HydrophobicContact CG-CZ 4.34Å; L141-F168 WeakPolarHBondContact O-CE2 3.47Å; A144-F168 HydrophobicContact CB-CD2 4.01Å; A144-F168 HydrophobicContact CB-CE2 4.09Å; A145-F168 PolarHBondContact O-N 3.42Å; C146-F168 HydrophobicContact CB-CB 4.47Å; Y157-F168 WeakPolarHBondContact O-CA 3.46Å; L158-F168 HydrophobicContact CB-CD1 4.03Å; L158-F168 HydrophobicContact CB-CE1 3.83Å; L158-F168 HydrophobicContact CD1-CD1 3.82Å; L158-F168 HydrophobicContact CD1-CD2 4.47Å; L158-F168 HydrophobicContact CD1-CE1 3.84Å; L158-F168 HydrophobicContact CD1-CG 4.17Å; L158-F168 HydrophobicContact CD1-CZ 4.22Å; L158-F168 HydrophobicContact CG-CE1 4.39Å; F168-F188 HydrophobicContact CE1-CD2 4.05Å; F168-F188 HydrophobicContact CZ-CD2 4.42Å; F168-W196 HydrophobicContact CD2-CH2 4.34Å; F168-W196 HydrophobicContact CE1-CZ3 4.45Å; F168-W196 AromaticContact CE2-CH2 3.7Å; F168-W196 HydrophobicContact CE2-CH2 3.7Å; F168-W196 AromaticContact CE2-CZ2 3.87Å; F168-W196 HydrophobicContact CE2-CZ2 3.87Å; F168-W196 HydrophobicContact CE2-CZ3 4.17Å; F168-W196 HydrophobicContact CZ-CE3 4.24Å; F168-W196 AromaticContact CZ-CH2 3.9Å; F168-W196 HydrophobicContact CZ-CH2 3.9Å; F168-W196 HydrophobicContact CZ-CZ2 4.28Å; F168-W196 AromaticContact CZ-CZ3 3.87Å; F168-W196 HydrophobicContact CZ-CZ3 3.87Å |
| 169 | S | 93.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 75 Ų | 75 | 12% | 0.119 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.2 | 169 | -177 | 0 | 0 | 0 | 0 | 110 | Y157 I171 | Y157-S169 PolarHBondContact N-O 3.35Å; Y157-S169 PolarHBondContact O-N 3.46Å; S169-I171 PolarHBondContact OG-N 3.33Å; S169-I171 VanDerWaalsContact OG-N 3.14Å |
| 170 | I | 94.1 | Very high | 92.2 | Very high | 98 Ų | 98 | 77.2 Ų | 77.2 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -84.3 | -15.7 | 169.2 | 47.7 | 166.2 | 0 | 0 | 0 | 112.8 | I148 Y156 Y157 | I148-I170 HydrophobicContact CD1-CB 4.34Å; I148-I170 HydrophobicContact CD1-CG1 4.42Å; I148-I170 HydrophobicContact CD1-CG2 3.35Å; Y156-I170 HydrophobicContact CD1-CG2 4.35Å; Y156-I170 HydrophobicContact CE1-CG2 4.22Å; Y157-I170 WeakPolarHBondContact CE2-O 3.26Å |
| 171 | I | 93.4 | Very high | 91.6 | Very high | 62 Ų | 62 | 77.1 Ų | 77.1 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -87.1 | 127.1 | -177.5 | -54.6 | 177 | 0 | 0 | 0 | 108.9 | Y159 S169 E175 W176 | Y159-I171 PolarHBondContact OH-O 3.28Å; S169-I171 PolarHBondContact OG-N 3.33Å; S169-I171 VanDerWaalsContact OG-N 3.14Å; I171-E175 WeakPolarHBondContact CA-OE2 3.42Å; I171-E175 HydrophobicContact CG2-CB 3.65Å; I171-W176 HydrophobicContact CB-CZ2 4.31Å; I171-W176 HydrophobicContact CD1-CH2 4.31Å; I171-W176 HydrophobicContact CD1-CZ2 3.86Å; I171-W176 HydrophobicContact CG2-CD2 4.03Å; I171-W176 HydrophobicContact CG2-CG 3.9Å; I171-W176 HydrophobicContact CG2-CZ2 4.43Å |
| 172 | S | 94.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 74 Ų | 74 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | trans | -76.7 | 158.6 | -179.8 | 74.8 | 0 | 0 | 0 | 0 | 112.7 | Y159 K174 E175 W176 | Y159-S172 VanDerWaalsContact OH-C 3.27Å; S172-K174 PolarHBondContact O-N 2.96Å; S172-K174 VanDerWaalsContact O-N 3.15Å; S172-E175 PolarHBondContact N-OE2 3.43Å; S172-E175 PolarHBondContact O-N 2.9Å; S172-E175 VanDerWaalsContact O-N 3.11Å; S172-E175 VanDerWaalsContact OG-CG 3.29Å; S172-E175 WeakPolarHBondContact OG-CG 3.45Å; S172-E175 PolarHBondContact OG-N 3.26Å; S172-E175 PolarHBondContact OG-OE2 2.89Å; S172-W176 PolarHBondContact O-N 2.91Å | ||
| 173 | P | 93.2 | Very high | 91.6 | Very high | 39 Ų | 39 | 72 Ų | 72 | 25% | 0.253 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.4 | -29.6 | 175.3 | -23.7 | 32.9 | 0 | 0 | 0 | 113.2 | Y159 G177 F184 | Y159-P173 HydrophobicContact CE1-CG 4.28Å; Y159-P173 WeakPolarHBondContact OH-CD 3.43Å; Y159-P173 WeakPolarHBondContact OH-CG 3.4Å; P173-G177 PolarHBondContact O-N 3.23Å; P173-F184 HydrophobicContact CB-CG 4.45Å; P173-F184 HydrophobicContact CG-CB 3.99Å; P173-F184 HydrophobicContact CG-CD1 3.93Å; P173-F184 HydrophobicContact CG-CD2 3.31Å; P173-F184 HydrophobicContact CG-CE1 4.2Å; P173-F184 HydrophobicContact CG-CE2 3.61Å; P173-F184 HydrophobicContact CG-CG 3.46Å; P173-F184 VanDerWaalsContact CG-CG 3.46Å; P173-F184 HydrophobicContact CG-CZ 4.04Å |
| 174 | K | 91.7 | Very high | 91.6 | Very high | 194 Ų | 194 | 71.9 Ų | 71.9 | 84% | 0.843 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.5 | -41.2 | 177.6 | -65.4 | -178.9 | -180 | 178.2 | 0 | 111.6 | S172 G177 | S172-K174 PolarHBondContact O-N 2.96Å; S172-K174 VanDerWaalsContact O-N 3.15Å; K174-G177 PolarHBondContact O-N 3.27Å |
| 175 | E | 93.1 | Very high | 91.8 | Very high | 134 Ų | 134 | 73.7 Ų | 73.7 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.5 | -33.8 | 177.4 | -72.2 | 167.1 | 163.1 | 0 | 0 | 112.5 | I171 S172 G177 | I171-E175 WeakPolarHBondContact CA-OE2 3.42Å; I171-E175 HydrophobicContact CG2-CB 3.65Å; S172-E175 PolarHBondContact N-OE2 3.43Å; S172-E175 PolarHBondContact O-N 2.9Å; S172-E175 VanDerWaalsContact O-N 3.11Å; S172-E175 VanDerWaalsContact OG-CG 3.29Å; S172-E175 WeakPolarHBondContact OG-CG 3.45Å; S172-E175 PolarHBondContact OG-N 3.26Å; S172-E175 PolarHBondContact OG-OE2 2.89Å; E175-G177 PolarHBondContact O-N 2.95Å |
| 176 | W | 90.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 69.3 Ų | 69.3 | 29% | 0.292 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.2 | -28.7 | 170.8 | -81.7 | 112.5 | 0 | 0 | 0 | 113.3 | Y159 I171 S172 S179 C180 P181 | Y159-W176 AromaticContact CZ-CD1 3.99Å; I171-W176 HydrophobicContact CB-CZ2 4.31Å; I171-W176 HydrophobicContact CD1-CH2 4.31Å; I171-W176 HydrophobicContact CD1-CZ2 3.86Å; I171-W176 HydrophobicContact CG2-CD2 4.03Å; I171-W176 HydrophobicContact CG2-CG 3.9Å; I171-W176 HydrophobicContact CG2-CZ2 4.43Å; S172-W176 PolarHBondContact O-N 2.91Å; W176-S179 PolarHBondContact O-N 3.43Å; W176-S179 VanDerWaalsContact O-N 3.13Å; W176-C180 HydrophobicContact CB-CB 3.8Å; W176-C180 HydrophobicContact CG-CB 4.41Å; W176-P181 HydrophobicContact CE3-CG 4.42Å; W176-P181 HydrophobicContact CH2-CG 4.23Å; W176-P181 HydrophobicContact CZ2-CG 4.35Å; W176-P181 HydrophobicContact CZ3-CG 4.26Å |
| 177 | G | 87.9 | Confident | 91.9 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | 53.3 | -140.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P173 K174 E175 S179 C180 | P173-G177 PolarHBondContact O-N 3.23Å; K174-G177 PolarHBondContact O-N 3.27Å; E175-G177 PolarHBondContact O-N 2.95Å; G177-S179 PolarHBondContact O-N 3.09Å; G177-S179 VanDerWaalsContact O-N 3.16Å; G177-C180 PolarHBondContact O-N 2.94Å |
| 178 | P | 83.9 | Confident | 91.9 | Very high | 141 Ų | 141 | 64.3 Ų | 64.3 | 92% | 0.916 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -68.1 | -11.6 | 179.9 | 28.9 | -34.1 | 0 | 0 | 0 | 113.5 | C180 | P178-C180 VanDerWaalsContact C-N 3.33Š|
| 179 | S | 83.5 | Confident | 92 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 62% | 0.622 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -93.4 | 16.5 | -179.6 | -58.6 | 0 | 0 | 0 | 0 | 113 | W176 G177 P181 | W176-S179 PolarHBondContact O-N 3.43Å; W176-S179 VanDerWaalsContact O-N 3.13Å; G177-S179 PolarHBondContact O-N 3.09Å; G177-S179 VanDerWaalsContact O-N 3.16Å; S179-P181 WeakPolarHBondContact O-CD 3.46Å; S179-P181 VanDerWaalsContact O-N 3.07Å |
| 180 | C | 85.1 | Confident | 92.1 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 31% | 0.311 | 36% | 0.357 | S | S | . | . | trans | -60.1 | 111 | 177.2 | -169.2 | 0 | 0 | 0 | 0 | 110.3 | W176 G177 P178 H182 | W176-C180 HydrophobicContact CB-CB 3.8Å; W176-C180 HydrophobicContact CG-CB 4.41Å; G177-C180 PolarHBondContact O-N 2.94Å; P178-C180 VanDerWaalsContact C-N 3.33Å; C180-H182 VanDerWaalsContact C-N 3.27Å; C180-H182 PolarHBondContact O-N 2.95Å; C180-H182 PolarHBondContact SG-O 3.12Å | ||
| 181 | P | 83.1 | Confident | 92.2 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | trans | -75.9 | -18.4 | -166.5 | 26.9 | -32.1 | 0 | 0 | 0 | 113.1 | W176 S179 | W176-P181 HydrophobicContact CE3-CG 4.42Å; W176-P181 HydrophobicContact CH2-CG 4.23Å; W176-P181 HydrophobicContact CZ2-CG 4.35Å; W176-P181 HydrophobicContact CZ3-CG 4.26Å; S179-P181 WeakPolarHBondContact O-CD 3.46Å; S179-P181 VanDerWaalsContact O-N 3.07Å | ||
| 182 | H | 92.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -144.6 | 149.1 | -167.3 | -63.2 | 109.6 | 0 | 0 | 0 | 111.4 | Y159 Q160 Y167 C180 F184 | Y159-H182 HydrophobicContact CD1-CB 4.41Å; Y159-H182 WeakPolarHBondContact CD1-O 3.31Å; Q160-H182 WeakPolarHBondContact O-CB 3.45Å; Y167-H182 HydrophobicContact CE1-CB 4.36Å; Y167-H182 AromaticContact CE1-ND1 3.84Å; Y167-H182 AromaticContact CZ-ND1 3.66Å; Y167-H182 PolarHBondContact OH-ND1 3.05Å; C180-H182 VanDerWaalsContact C-N 3.27Å; C180-H182 PolarHBondContact O-N 2.95Å; C180-H182 PolarHBondContact SG-O 3.12Å; H182-F184 PolarHBondContact O-N 2.85Å |
| 183 | P | 94.6 | Very high | 92.2 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | trans | -55.1 | 132.4 | 172 | -27 | 34.7 | 0 | 0 | 0 | 112.6 | Y159 Q160 | Y159-P183 WeakPolarHBondContact CA-O 3.47Å; Q160-P183 PolarHBondContact N-O 3.42Å; Q160-P183 VanDerWaalsContact N-O 3.09Å; Q160-P183 WeakPolarHBondContact O-CD 3.39Å | ||
| 184 | F | 95.3 | Very high | 92.2 | Very high | 93 Ų | 93 | 71.5 Ų | 71.5 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.4 | 175.8 | 174.7 | -113.1 | 0 | 0 | 0 | 110.6 | Y157 Y159 P173 H182 G186 A187 | Y157-F184 AromaticContact CD1-CE2 3.92Å; Y157-F184 HydrophobicContact CD1-CE2 3.92Å; Y157-F184 HydrophobicContact CD1-CZ 4.41Å; Y159-F184 HydrophobicContact CD1-CB 4.16Å; Y159-F184 HydrophobicContact CD1-CD2 4.35Å; Y159-F184 HydrophobicContact CE1-CB 3.9Å; Y159-F184 AromaticContact CE1-CD2 3.87Å; Y159-F184 HydrophobicContact CE1-CD2 3.87Å; Y159-F184 HydrophobicContact CE1-CG 4.36Å; P173-F184 HydrophobicContact CB-CG 4.45Å; P173-F184 HydrophobicContact CG-CB 3.99Å; P173-F184 HydrophobicContact CG-CD1 3.93Å; P173-F184 HydrophobicContact CG-CD2 3.31Å; P173-F184 HydrophobicContact CG-CE1 4.2Å; P173-F184 HydrophobicContact CG-CE2 3.61Å; P173-F184 HydrophobicContact CG-CG 3.46Å; P173-F184 VanDerWaalsContact CG-CG 3.46Å; P173-F184 HydrophobicContact CG-CZ 4.04Å; H182-F184 PolarHBondContact O-N 2.85Å; F184-G186 WeakPolarHBondContact CE2-O 3.33Å; F184-G186 VanDerWaalsContact CZ-CA 3.46Å; F184-A187 HydrophobicContact CE2-CB 4.34Å; F184-A187 HydrophobicContact CZ-CB 3.95Å |
| 185 | L | 94.9 | Very high | 92.3 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -33.2 | -179.8 | -62.9 | -175.4 | 0 | 0 | 0 | 113.2 | L158 Q160 K166 | L158-L185 HydrophobicContact CB-CB 4.35Å; L158-L185 HydrophobicContact CD2-CB 4.17Å; L158-L185 HydrophobicContact CD2-CD1 4.11Å; L158-L185 HydrophobicContact CG-CB 4.27Å; L158-L185 HydrophobicContact CG-CD1 4.25Å; L158-L185 PolarHBondContact O-N 2.86Å; Q160-L185 HydrophobicContact CB-CD1 4.04Å; Q160-L185 HydrophobicContact CB-CD2 4.46Å; Q160-L185 HydrophobicContact CB-CG 4.29Å; K166-L185 HydrophobicContact CD-CD1 3.95Å; K166-L185 HydrophobicContact CG-CD1 3.9Å |
| 186 | G | 95.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 57 Ų | 57 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | 162.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L158 F184 | L158-G186 PolarHBondContact N-O 2.72Å; F184-G186 WeakPolarHBondContact CE2-O 3.33Å; F184-G186 VanDerWaalsContact CZ-CA 3.46Å |
| 187 | A | 96.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | M155 Y156 Y157 F184 V199 | M155-A187 HydrophobicContact SD-CB 4.34Å; Y156-A187 CarbonylContact O-C 3.51Å; Y156-A187 WeakPolarHBondContact O-CA 3.42Å; Y157-A187 HydrophobicContact CD1-CB 3.54Å; Y157-A187 HydrophobicContact CE1-CB 3.63Å; F184-A187 HydrophobicContact CE2-CB 4.34Å; F184-A187 HydrophobicContact CZ-CB 3.95Å; A187-V199 HydrophobicContact CB-CB 3.82Å; A187-V199 HydrophobicContact CB-CG1 3.85Å; A187-V199 HydrophobicContact CB-CG2 4.44Å; A187-V199 PolarHBondContact O-N 2.97Å |
| 188 | F | 97.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134.8 | -174 | -55.9 | -91.1 | 0 | 0 | 0 | 110.3 | L141 Y156 L158 F168 W196 T197 P198 | L141-F188 HydrophobicContact CD1-CD1 3.89Å; L141-F188 HydrophobicContact CD1-CE1 4.05Å; L141-F188 HydrophobicContact CD1-CG 4.19Å; L141-F188 HydrophobicContact CD1-CZ 4.47Å; L141-F188 HydrophobicContact CD2-CD2 4.24Å; L141-F188 HydrophobicContact CD2-CE2 4.05Å; L141-F188 HydrophobicContact CD2-CZ 4.27Å; Y156-F188 PolarHBondContact N-O 3.03Å; Y156-F188 PolarHBondContact O-N 3.46Å; L158-F188 HydrophobicContact CB-CD2 4.47Å; L158-F188 HydrophobicContact CB-CE2 4.16Å; L158-F188 HydrophobicContact CD2-CE2 4.29Å; F168-F188 HydrophobicContact CE1-CD2 4.05Å; F168-F188 HydrophobicContact CZ-CD2 4.42Å; F188-W196 HydrophobicContact CB-CE3 3.7Å; F188-W196 HydrophobicContact CB-CZ3 4.3Å; F188-T197 CarbonylContact C-O 3.55Å; F188-T197 VanDerWaalsContact CA-O 3.28Å; F188-T197 WeakPolarHBondContact CA-O 3.22Å; F188-P198 HydrophobicContact CD1-CB 4.34Å; F188-P198 HydrophobicContact CD1-CG 4.3Å; F188-P198 HydrophobicContact CE1-CB 4.34Å; F188-P198 HydrophobicContact CE1-CG 4.21Å |
| 189 | K | 97 | Very high | 93.7 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.3 | 169.2 | -174.8 | -180 | 175.2 | -165.5 | 0 | 108.9 | N154 M155 T197 V202 D206 | N154-K189 WeakPolarHBondContact O-CA 3.5Å; M155-K189 HydrophobicContact CE-CB 4.02Å; M155-K189 HydrophobicContact SD-CB 4.16Å; K189-T197 PolarHBondContact N-O 3.08Å; K189-T197 PolarHBondContact O-N 3Å; K189-V202 HydrophobicContact CB-CG2 3.58Å; K189-V202 HydrophobicContact CD-CB 4.45Å; K189-V202 HydrophobicContact CD-CG1 3.5Å; K189-V202 HydrophobicContact CD-CG2 4.03Å; K189-V202 HydrophobicContact CG-CG2 4.48Å; K189-D206 IonicContact NZ-OD1 3.62Å; K189-D206 PolarHBondContact NZ-OD1 3.2Å; K189-D206 IonicContact NZ-OD2 2.95Å; K189-D206 PolarHBondContact NZ-OD2 3.06Å |
| 190 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.9 | 169.3 | -178.1 | 59.7 | 0 | 0 | 0 | 108.4 | K150 P152 G153 N154 Y156 M194 W196 | K150-L190 HydrophobicContact CB-CD2 3.82Å; P152-L190 CarbonylContact C-O 3.58Å; G153-L190 PolarHBondContact N-O 3.11Å; N154-L190 PolarHBondContact O-N 3.12Å; N154-L190 VanDerWaalsContact O-N 3.07Å; Y156-L190 HydrophobicContact CD2-CB 4.17Å; Y156-L190 HydrophobicContact CE2-CB 3.78Å; Y156-L190 HydrophobicContact CE2-CD2 4.43Å; L190-M194 HydrophobicContact CD2-CE 4.4Å; L190-M194 HydrophobicContact CD2-SD 4.47Å; L190-W196 HydrophobicContact CB-CE3 4.1Å; L190-W196 HydrophobicContact CB-CH2 4.05Å; L190-W196 HydrophobicContact CB-CZ3 3.8Å; L190-W196 HydrophobicContact CD1-CD2 4.04Å; L190-W196 HydrophobicContact CD1-CE3 4.34Å; L190-W196 HydrophobicContact CD1-CH2 4.27Å; L190-W196 HydrophobicContact CD1-CZ2 3.93Å; L190-W196 HydrophobicContact CD1-CZ3 4.46Å; L190-W196 HydrophobicContact CD2-CH2 4.37Å; L190-W196 HydrophobicContact CD2-CZ2 4.47Å; L190-W196 HydrophobicContact CG-CH2 4.48Å |
| 191 | Q | 95.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 168.5 | -179.5 | -62.5 | -64.6 | -2.9 | 0 | 0 | 111.9 | D193 M194 S195 T197 | Q191-D193 WeakPolarHBondContact CB-OD1 3.03Å; Q191-D193 PolarHBondContact O-N 3.33Å; Q191-M194 PolarHBondContact O-N 3.42Å; Q191-S195 WeakPolarHBondContact CB-O 3.44Å; Q191-S195 PolarHBondContact N-O 3.44Å; Q191-T197 WeakPolarHBondContact CG-OG1 3.36Å; Q191-T197 PolarHBondContact NE2-OG1 3.41Å |
| 192 | H | 94.2 | Very high | 95.3 | Very high | 155 Ų | 155 | 53.1 Ų | 53.1 | 72% | 0.718 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.7 | -179 | -67.2 | 88.3 | 0 | 0 | 0 | 113.6 | M194 | H192-M194 PolarHBondContact O-N 3.15Š|
| 193 | D | 92.6 | Very high | 95.4 | Very high | 107 Ų | 107 | 59.6 Ų | 59.6 | 57% | 0.572 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 9.4 | 173.1 | 65.3 | -5.3 | 0 | 0 | 0 | 113 | Q191 S195 | Q191-D193 WeakPolarHBondContact CB-OD1 3.03Å; Q191-D193 PolarHBondContact O-N 3.33Å; D193-S195 PolarHBondContact O-N 3.31Å; D193-S195 VanDerWaalsContact OD1-CB 3.31Å; D193-S195 WeakPolarHBondContact OD1-CB 3.15Å; D193-S195 PolarHBondContact OD1-N 2.8Å; D193-S195 PolarHBondContact OD1-OG 3.19Å; D193-S195 PolarHBondContact OD2-OG 2.93Å |
| 194 | M | 93.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 62.3 Ų | 62.3 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 66.8 | 10.9 | -176.1 | -55.9 | -66.5 | -69.3 | 0 | 0 | 115.3 | H142 P152 L190 Q191 H192 | H142-M194 PolarHBondContact CE1-O 2.85Å; H142-M194 PolarHBondContact NE2-O 3.12Å; P152-M194 HydrophobicContact CG-SD 3.84Å; L190-M194 HydrophobicContact CD2-CE 4.4Å; L190-M194 HydrophobicContact CD2-SD 4.47Å; Q191-M194 PolarHBondContact O-N 3.42Å; H192-M194 PolarHBondContact O-N 3.15Å |
| 195 | S | 94.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | trans | -77.7 | 156.1 | 170 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | D138 Q191 D193 | D138-S195 WeakPolarHBondContact OD2-CA 3.38Å; Q191-S195 WeakPolarHBondContact CB-O 3.44Å; Q191-S195 PolarHBondContact N-O 3.44Å; D193-S195 PolarHBondContact O-N 3.31Å; D193-S195 VanDerWaalsContact OD1-CB 3.31Å; D193-S195 WeakPolarHBondContact OD1-CB 3.15Å; D193-S195 PolarHBondContact OD1-N 2.8Å; D193-S195 PolarHBondContact OD1-OG 3.19Å; D193-S195 PolarHBondContact OD2-OG 2.93Å | ||
| 196 | W | 96.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.5 | 175 | -65.2 | 91.2 | 0 | 0 | 0 | 111 | R137 D138 L141 H142 K150 Y156 F168 F188 L190 | R137-W196 PolarHBondContact NH1-O 3.09Å; D138-W196 WeakPolarHBondContact OD1-CB 3.46Å; D138-W196 PolarHBondContact OD1-N 3.44Å; D138-W196 VanDerWaalsContact OD1-N 3.08Å; L141-W196 HydrophobicContact CB-CD2 4.06Å; L141-W196 HydrophobicContact CB-CG 3.92Å; L141-W196 HydrophobicContact CD1-CB 3.49Å; L141-W196 VanDerWaalsContact CD1-CB 3.49Å; L141-W196 HydrophobicContact CD1-CD2 4.17Å; L141-W196 HydrophobicContact CD1-CG 3.59Å; L141-W196 HydrophobicContact CG-CG 4.42Å; H142-W196 AromaticContact CD2-NE1 3.48Å; H142-W196 PolarHBondContact CD2-NE1 2.94Å; H142-W196 AromaticContact CE1-CE2 3.89Å; H142-W196 AromaticContact CE1-NE1 3.22Å; H142-W196 PolarHBondContact CE1-NE1 3.46Å; H142-W196 AromaticContact CG-NE1 3.57Å; H142-W196 AromaticContact ND1-NE1 3.41Å; H142-W196 PolarHBondContact ND1-NE1 3.29Å; H142-W196 AromaticContact NE2-CD1 3.76Å; H142-W196 AromaticContact NE2-NE1 3.25Å; H142-W196 PolarHBondContact NE2-NE1 3.41Å; K150-W196 HydrophobicContact CD-CH2 4.18Å; K150-W196 HydrophobicContact CD-CZ2 3.9Å; Y156-W196 AromaticContact CD2-CH2 3.81Å; Y156-W196 HydrophobicContact CD2-CH2 3.81Å; Y156-W196 AromaticContact CD2-CZ3 3.49Å; Y156-W196 HydrophobicContact CD2-CZ3 3.49Å; Y156-W196 VanDerWaalsContact CD2-CZ3 3.49Å; Y156-W196 HydrophobicContact CE2-CH2 4.3Å; Y156-W196 HydrophobicContact CE2-CZ3 4.26Å; Y156-W196 HydrophobicContact CG-CH2 4.09Å; Y156-W196 AromaticContact CG-CZ3 3.93Å; Y156-W196 HydrophobicContact CG-CZ3 3.93Å; F168-W196 HydrophobicContact CD2-CH2 4.34Å; F168-W196 HydrophobicContact CE1-CZ3 4.45Å; F168-W196 AromaticContact CE2-CH2 3.7Å; F168-W196 HydrophobicContact CE2-CH2 3.7Å; F168-W196 AromaticContact CE2-CZ2 3.87Å; F168-W196 HydrophobicContact CE2-CZ2 3.87Å; F168-W196 HydrophobicContact CE2-CZ3 4.17Å; F168-W196 HydrophobicContact CZ-CE3 4.24Å; F168-W196 AromaticContact CZ-CH2 3.9Å; F168-W196 HydrophobicContact CZ-CH2 3.9Å; F168-W196 HydrophobicContact CZ-CZ2 4.28Å; F168-W196 AromaticContact CZ-CZ3 3.87Å; F168-W196 HydrophobicContact CZ-CZ3 3.87Å; F188-W196 HydrophobicContact CB-CE3 3.7Å; F188-W196 HydrophobicContact CB-CZ3 4.3Å; L190-W196 HydrophobicContact CB-CE3 4.1Å; L190-W196 HydrophobicContact CB-CH2 4.05Å; L190-W196 HydrophobicContact CB-CZ3 3.8Å; L190-W196 HydrophobicContact CD1-CD2 4.04Å; L190-W196 HydrophobicContact CD1-CE3 4.34Å; L190-W196 HydrophobicContact CD1-CH2 4.27Å; L190-W196 HydrophobicContact CD1-CZ2 3.93Å; L190-W196 HydrophobicContact CD1-CZ3 4.46Å; L190-W196 HydrophobicContact CD2-CH2 4.37Å; L190-W196 HydrophobicContact CD2-CZ2 4.47Å; L190-W196 HydrophobicContact CG-CH2 4.48Å |
| 197 | T | 96.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.3 | 173.9 | -50.8 | 0 | 0 | 0 | 0 | 110 | F188 K189 Q191 E201 V202 R205 | F188-T197 CarbonylContact C-O 3.55Å; F188-T197 VanDerWaalsContact CA-O 3.28Å; F188-T197 WeakPolarHBondContact CA-O 3.22Å; K189-T197 PolarHBondContact N-O 3.08Å; K189-T197 PolarHBondContact O-N 3Å; Q191-T197 WeakPolarHBondContact CG-OG1 3.36Å; Q191-T197 PolarHBondContact NE2-OG1 3.41Å; T197-E201 HydrophobicContact CG2-CB 3.84Å; T197-V202 HydrophobicContact CG2-CG2 3.97Å; T197-R205 HydrophobicContact CG2-CB 4.01Å; T197-R205 HydrophobicContact CG2-CG 4.3Å |
| 198 | P | 96.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 66.9 Ų | 66.9 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 144.1 | 171.3 | -21.1 | 32.1 | 0 | 0 | 0 | 111.1 | F188 D200 E201 V202 | F188-P198 HydrophobicContact CD1-CB 4.34Å; F188-P198 HydrophobicContact CD1-CG 4.3Å; F188-P198 HydrophobicContact CE1-CB 4.34Å; F188-P198 HydrophobicContact CE1-CG 4.21Å; P198-D200 PolarHBondContact O-N 3.42Å; P198-D200 VanDerWaalsContact O-N 3.08Å; P198-E201 PolarHBondContact O-N 3.39Å; P198-V202 WeakPolarHBondContact O-CG2 3.38Å; P198-V202 PolarHBondContact O-N 2.95Å |
| 199 | V | 95.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -51.4 | -37.5 | -175.5 | 66 | 0 | 0 | 0 | 0 | 113.5 | M155 A187 E201 V202 | M155-V199 HydrophobicContact CE-CB 4.46Å; M155-V199 HydrophobicContact CE-CG2 3.94Å; M155-V199 HydrophobicContact SD-CB 4.34Å; M155-V199 HydrophobicContact SD-CG2 4.3Å; A187-V199 HydrophobicContact CB-CB 3.82Å; A187-V199 HydrophobicContact CB-CG1 3.85Å; A187-V199 HydrophobicContact CB-CG2 4.44Å; A187-V199 PolarHBondContact O-N 2.97Å; V199-E201 PolarHBondContact O-N 2.96Å; V199-V202 PolarHBondContact O-N 3.46Å |
| 200 | D | 95.3 | Very high | 94.3 | Very high | 152 Ų | 152 | 70 Ų | 70 | 81% | 0.813 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -70.2 | -20.5 | -178.3 | -55.5 | -39.4 | 0 | 0 | 0 | 113 | P198 | P198-D200 PolarHBondContact O-N 3.42Å; P198-D200 VanDerWaalsContact O-N 3.08Å |
| 201 | E | 94.9 | Very high | 94.1 | Very high | 110 Ų | 110 | 72.4 Ų | 72.4 | 51% | 0.514 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -102.6 | -9.5 | -178.4 | -66.2 | 179.7 | -165.6 | 0 | 0 | 113.1 | T197 P198 V199 E203 K204 R205 | T197-E201 HydrophobicContact CG2-CB 3.84Å; P198-E201 PolarHBondContact O-N 3.39Å; V199-E201 PolarHBondContact O-N 2.96Å; E201-E203 PolarHBondContact O-N 3.4Å; E201-K204 PolarHBondContact O-N 2.99Å; E201-R205 WeakPolarHBondContact O-CB 3.29Å; E201-R205 PolarHBondContact O-N 3.23Å |
| 202 | V | 94.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 78.2 Ų | 78.2 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.5 | -49.3 | -174.7 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | M155 K189 T197 P198 V199 K204 R205 D206 | M155-V202 HydrophobicContact CE-CG2 4.33Å; K189-V202 HydrophobicContact CB-CG2 3.58Å; K189-V202 HydrophobicContact CD-CB 4.45Å; K189-V202 HydrophobicContact CD-CG1 3.5Å; K189-V202 HydrophobicContact CD-CG2 4.03Å; K189-V202 HydrophobicContact CG-CG2 4.48Å; T197-V202 HydrophobicContact CG2-CG2 3.97Å; P198-V202 WeakPolarHBondContact O-CG2 3.38Å; P198-V202 PolarHBondContact O-N 2.95Å; V199-V202 PolarHBondContact O-N 3.46Å; V202-K204 VanDerWaalsContact C-N 3.33Å; V202-K204 PolarHBondContact O-N 3.31Å; V202-R205 PolarHBondContact O-N 3.05Å; V202-D206 WeakPolarHBondContact CG1-OD2 3.48Å; V202-D206 VanDerWaalsContact O-CB 3.3Å; V202-D206 WeakPolarHBondContact O-CB 3.47Å; V202-D206 PolarHBondContact O-N 3.13Å |
| 203 | E | 94.4 | Very high | 93.6 | Very high | 167 Ų | 167 | 74.4 Ų | 74.4 | 78% | 0.78 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | -176.6 | -64 | -176.1 | 172.1 | 0 | 0 | 111.7 | E201 A207 | E201-E203 PolarHBondContact O-N 3.4Å; E203-A207 VanDerWaalsContact O-CB 3.27Å; E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 2.95Å |
| 204 | K | 94.9 | Very high | 93.5 | Very high | 142 Ų | 142 | 75.7 Ų | 75.7 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.5 | -49 | 177.2 | 179.4 | -178.1 | 169.4 | -172.2 | 0 | 110.9 | E201 V202 A207 E208 | E201-K204 PolarHBondContact O-N 2.99Å; V202-K204 VanDerWaalsContact C-N 3.33Å; V202-K204 PolarHBondContact O-N 3.31Å; K204-A207 PolarHBondContact O-N 3.2Å; K204-E208 WeakPolarHBondContact CE-OE1 3.36Å; K204-E208 WeakPolarHBondContact O-CG 3.47Å; K204-E208 PolarHBondContact O-N 2.95Å |
| 205 | R | 92.5 | Very high | 93.2 | Very high | 92 Ų | 92 | 76.7 Ų | 76.7 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | -179.8 | -162.1 | 92.3 | 179.9 | 102.8 | 2 | 111.3 | T197 E201 V202 A207 E208 I209 | T197-R205 HydrophobicContact CG2-CB 4.01Å; T197-R205 HydrophobicContact CG2-CG 4.3Å; E201-R205 WeakPolarHBondContact O-CB 3.29Å; E201-R205 PolarHBondContact O-N 3.23Å; V202-R205 PolarHBondContact O-N 3.05Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 2.96Å; R205-E208 IonicContact NH1-OE2 3.5Å; R205-E208 PolarHBondContact O-N 3.19Å; R205-I209 HydrophobicContact CG-CD1 4.11Å; R205-I209 WeakPolarHBondContact O-CB 3.4Å; R205-I209 WeakPolarHBondContact O-CD1 3.33Å; R205-I209 VanDerWaalsContact O-CG1 3.24Å; R205-I209 WeakPolarHBondContact O-CG1 3.42Å; R205-I209 PolarHBondContact O-N 3.11Å |
| 206 | D | 92.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 82.6 Ų | 82.6 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 178 | -72.4 | -10.4 | 0 | 0 | 0 | 110.9 | K189 V202 I209 A210 | K189-D206 IonicContact NZ-OD1 3.62Å; K189-D206 PolarHBondContact NZ-OD1 3.2Å; K189-D206 IonicContact NZ-OD2 2.95Å; K189-D206 PolarHBondContact NZ-OD2 3.06Å; V202-D206 WeakPolarHBondContact CG1-OD2 3.48Å; V202-D206 VanDerWaalsContact O-CB 3.3Å; V202-D206 WeakPolarHBondContact O-CB 3.47Å; V202-D206 PolarHBondContact O-N 3.13Å; D206-I209 PolarHBondContact O-N 2.78Å; D206-A210 VanDerWaalsContact O-CB 3.29Å; D206-A210 WeakPolarHBondContact O-CB 3.46Å; D206-A210 PolarHBondContact O-N 2.69Å |
| 207 | A | 94.1 | Very high | 92.2 | Very high | 61 Ų | 61 | 86.7 Ų | 86.7 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E203 K204 R205 A210 A211 | E203-A207 VanDerWaalsContact O-CB 3.27Å; E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 2.95Å; K204-A207 PolarHBondContact O-N 3.2Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 2.96Å; A207-A210 PolarHBondContact O-N 3.39Å; A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 3.2Å |
| 208 | E | 92.5 | Very high | 91.4 | Very high | 79 Ų | 79 | 93.5 Ų | 93.5 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 174 | -74.4 | 171.8 | -176.9 | 0 | 0 | 111.1 | K204 R205 A210 A211 M212 | K204-E208 WeakPolarHBondContact CE-OE1 3.36Å; K204-E208 WeakPolarHBondContact O-CG 3.47Å; K204-E208 PolarHBondContact O-N 2.95Å; R205-E208 IonicContact NH1-OE2 3.5Å; R205-E208 PolarHBondContact O-N 3.19Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.17Å; E208-A211 PolarHBondContact O-N 3.2Å; E208-M212 VanDerWaalsContact O-CG 3.3Å; E208-M212 WeakPolarHBondContact O-CG 3.44Å; E208-M212 PolarHBondContact O-N 3.19Å |
| 209 | I | 90.6 | Very high | 90 | Very high | 76 Ų | 76 | 98.3 Ų | 98.3 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 177.3 | -68.3 | 164.9 | 0 | 0 | 0 | 110.6 | R205 D206 M212 S213 | R205-I209 HydrophobicContact CG-CD1 4.11Å; R205-I209 WeakPolarHBondContact O-CB 3.4Å; R205-I209 WeakPolarHBondContact O-CD1 3.33Å; R205-I209 VanDerWaalsContact O-CG1 3.24Å; R205-I209 WeakPolarHBondContact O-CG1 3.42Å; R205-I209 PolarHBondContact O-N 3.11Å; D206-I209 PolarHBondContact O-N 2.78Å; I209-M212 PolarHBondContact O-N 3.03Å; I209-S213 VanDerWaalsContact O-CB 3.29Å; I209-S213 WeakPolarHBondContact O-CB 3.46Å; I209-S213 PolarHBondContact O-N 3.45Å |
| 210 | A | 91.8 | Very high | 88.2 | Confident | 46 Ų | 46 | 101 Ų | 101 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D206 A207 E208 K214 | D206-A210 VanDerWaalsContact O-CB 3.29Å; D206-A210 WeakPolarHBondContact O-CB 3.46Å; D206-A210 PolarHBondContact O-N 2.69Å; A207-A210 PolarHBondContact O-N 3.39Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.17Å; A210-K214 VanDerWaalsContact O-CG 3.32Å; A210-K214 WeakPolarHBondContact O-CG 3.24Å; A210-K214 PolarHBondContact O-N 2.98Å |
| 211 | A | 91.9 | Very high | 86.4 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A207 E208 K214 L215 | A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 3.2Å; E208-A211 PolarHBondContact O-N 3.2Å; A211-K214 PolarHBondContact O-N 3.17Å; A211-L215 WeakPolarHBondContact O-CG 3.35Å; A211-L215 PolarHBondContact O-N 3.46Å; A211-L215 VanDerWaalsContact O-N 3.14Å |
| 212 | M | 89.9 | Confident | 84.7 | Confident | 128 Ų | 128 | 101 Ų | 101 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -42.5 | 177.2 | -69.9 | 175.6 | 72 | 0 | 0 | 112.3 | E208 I209 K214 L215 L216 | E208-M212 VanDerWaalsContact O-CG 3.3Å; E208-M212 WeakPolarHBondContact O-CG 3.44Å; E208-M212 PolarHBondContact O-N 3.19Å; I209-M212 PolarHBondContact O-N 3.03Å; M212-K214 VanDerWaalsContact C-N 3.32Å; M212-K214 PolarHBondContact O-N 3.39Å; M212-L215 PolarHBondContact O-N 2.9Å; M212-L215 VanDerWaalsContact O-N 3.12Å; M212-L216 PolarHBondContact O-N 3.43Å |
| 213 | S | 89.3 | Confident | 83.3 | Confident | 75 Ų | 75 | 105.3 Ų | 105.3 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.8 | -41.4 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 112 | I209 L216 S217 | I209-S213 VanDerWaalsContact O-CB 3.29Å; I209-S213 WeakPolarHBondContact O-CB 3.46Å; I209-S213 PolarHBondContact O-N 3.45Å; S213-L216 PolarHBondContact O-N 2.89Å; S213-S217 PolarHBondContact O-N 3.44Å |
| 214 | K | 90.4 | Very high | 81.8 | Confident | 135 Ų | 135 | 103.3 Ų | 103.3 | 59% | 0.587 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.4 | -43.9 | 172.8 | -69.3 | 168.8 | -174.4 | 177.7 | 0 | 111.7 | A210 A211 M212 L216 S217 H218 | A210-K214 VanDerWaalsContact O-CG 3.32Å; A210-K214 WeakPolarHBondContact O-CG 3.24Å; A210-K214 PolarHBondContact O-N 2.98Å; A211-K214 PolarHBondContact O-N 3.17Å; M212-K214 VanDerWaalsContact C-N 3.32Å; M212-K214 PolarHBondContact O-N 3.39Å; K214-L216 VanDerWaalsContact C-N 3.33Å; K214-L216 PolarHBondContact O-N 3.41Å; K214-S217 PolarHBondContact O-N 3.45Å; K214-S217 PolarHBondContact O-OG 3.47Å; K214-H218 PolarHBondContact O-CD2 2.92Å; K214-H218 PolarHBondContact O-N 3.09Å |
| 215 | L | 88.8 | Confident | 80 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.9 | -42 | 178 | -67.3 | 172.1 | 0 | 0 | 0 | 111.9 | A211 M212 S217 H218 Q219 | A211-L215 WeakPolarHBondContact O-CG 3.35Å; A211-L215 PolarHBondContact O-N 3.46Å; A211-L215 VanDerWaalsContact O-N 3.14Å; M212-L215 PolarHBondContact O-N 2.9Å; M212-L215 VanDerWaalsContact O-N 3.12Å; L215-S217 VanDerWaalsContact C-N 3.31Å; L215-S217 PolarHBondContact O-N 3Å; L215-H218 PolarHBondContact O-N 3.28Å; L215-H218 VanDerWaalsContact O-N 3.12Å; L215-Q219 PolarHBondContact O-N 3.08Å |
| 216 | L | 85.7 | Confident | 78.8 | Confident | 143 Ų | 143 | 104.7 Ų | 104.7 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -34.7 | 178.9 | -169.4 | 69.3 | 0 | 0 | 0 | 112.4 | M212 S213 K214 H218 | M212-L216 PolarHBondContact O-N 3.43Å; S213-L216 PolarHBondContact O-N 2.89Å; K214-L216 VanDerWaalsContact C-N 3.33Å; K214-L216 PolarHBondContact O-N 3.41Å; L216-H218 PolarHBondContact O-N 3.42Å |
| 217 | S | 85.4 | Confident | 77.8 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.2 | -16.8 | 175.8 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | S213 K214 L215 | S213-S217 PolarHBondContact O-N 3.44Å; K214-S217 PolarHBondContact O-N 3.45Å; K214-S217 PolarHBondContact O-OG 3.47Å; L215-S217 VanDerWaalsContact C-N 3.31Å; L215-S217 PolarHBondContact O-N 3Å |
| 218 | H | 78 | Confident | 76.3 | Confident | 146 Ų | 146 | 106.5 Ų | 106.5 | 68% | 0.676 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -100 | -16.2 | -175.1 | -71.3 | -52.1 | 0 | 0 | 0 | 115.7 | K214 L215 L216 | K214-H218 PolarHBondContact O-CD2 2.92Å; K214-H218 PolarHBondContact O-N 3.09Å; L215-H218 PolarHBondContact O-N 3.28Å; L215-H218 VanDerWaalsContact O-N 3.12Å; L216-H218 PolarHBondContact O-N 3.42Å |
| 219 | Q | 67.3 | Low | 75.1 | Confident | 132 Ų | 132 | 108.4 Ų | 108.4 | 62% | 0.617 | 65% | 0.647 | S | S | * | * | trans | -133.8 | 113 | -174.1 | -77.4 | -178.1 | 51.7 | 0 | 0 | 111.5 | L215 | L215-Q219 PolarHBondContact O-N 3.08Š| ||
| 220 | T | 57.6 | Low | 73.7 | Confident | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | 62.2 | 121 | 87.7 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | L222 | T220-L222 PolarHBondContact O-N 3.22Š| |||
| 221 | A | 58.5 | Low | 72.3 | Confident | 104 Ų | 104 | 120.1 Ų | 120.1 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 121.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 222 | L | 59.6 | Low | 70.6 | Confident | 158 Ų | 158 | 120.6 Ų | 120.6 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -69 | 137.2 | 167 | -67.3 | 171.7 | 0 | 0 | 0 | 108.8 | T220 | T220-L222 PolarHBondContact O-N 3.22Š|
| 223 | P | 63.5 | Low | 69.1 | Low | 104 Ų | 104 | 121.1 Ų | 121.1 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 151.2 | 172.6 | 24.2 | -31.6 | 0 | 0 | 0 | 110.4 | C225 | P223-C225 PolarHBondContact O-N 3.06Š|
| 224 | P | 63.5 | Low | 67.7 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -57.6 | 114.9 | -177.6 | -19.9 | 30.2 | 0 | 0 | 0 | 110.8 | T226 | P224-T226 PolarHBondContact O-N 2.91Š| ||
| 225 | C | 58.1 | Low | 65.4 | Low | 126 Ų | 126 | 131.2 Ų | 131.2 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -69.3 | 99.8 | 173 | 22.5 | 0 | 0 | 0 | 0 | 108.6 | P223 G227 | P223-C225 PolarHBondContact O-N 3.06Å; C225-G227 PolarHBondContact O-N 3.34Å | ||
| 226 | T | 66.5 | Low | 64.3 | Low | 138 Ų | 138 | 132.3 Ų | 132.3 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | trans | -67.3 | 122.9 | 165.3 | -52.1 | 0 | 0 | 0 | 0 | 106.5 | P224 | P224-T226 PolarHBondContact O-N 2.91Š| ||
| 227 | G | 69.9 | Low | 63.1 | Low | 51 Ų | 51 | 131.7 Ų | 131.7 | 53% | 0.526 | 75% | 0.75 | S | S | . | * | trans | -56 | 165.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | C225 N229 | C225-G227 PolarHBondContact O-N 3.34Å; G227-N229 PolarHBondContact O-N 3.39Å | ||
| 228 | P | 64.3 | Low | 61.9 | Low | 101 Ų | 101 | 134 Ų | 134 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | -57.5 | 114.5 | 177.3 | 23.5 | -32.3 | 0 | 0 | 0 | 109.8 | F230 | P228-F230 HydrophobicContact CB-CD2 4.24Å; P228-F230 HydrophobicContact CB-CE2 3.67Å; P228-F230 HydrophobicContact CB-CZ 3.85Å; P228-F230 HydrophobicContact CG-CD2 4.3Å; P228-F230 HydrophobicContact CG-CE2 3.53Å; P228-F230 HydrophobicContact CG-CZ 4Å; P228-F230 WeakPolarHBondContact O-CD2 3.31Å; P228-F230 PolarHBondContact O-N 3.41Å; P228-F230 VanDerWaalsContact O-N 3.09Å | ||
| 229 | N | 66.1 | Low | 61 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -78.6 | 92.6 | -179.4 | -167 | 7.5 | 0 | 0 | 0 | 108.3 | G227 R231 | G227-N229 PolarHBondContact O-N 3.39Å; N229-R231 PolarHBondContact O-N 3.19Å; N229-R231 WeakPolarHBondContact OD1-CB 3.47Å; N229-R231 PolarHBondContact OD1-NE 2.93Å | ||
| 230 | F | 62.6 | Low | 60.6 | Low | 146 Ų | 146 | 133.4 Ų | 133.4 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | trans | -81.7 | 12.3 | 176.2 | -64.8 | -74.3 | 0 | 0 | 0 | 113.6 | P228 G232 L233 | P228-F230 HydrophobicContact CB-CD2 4.24Å; P228-F230 HydrophobicContact CB-CE2 3.67Å; P228-F230 HydrophobicContact CB-CZ 3.85Å; P228-F230 HydrophobicContact CG-CD2 4.3Å; P228-F230 HydrophobicContact CG-CE2 3.53Å; P228-F230 HydrophobicContact CG-CZ 4Å; P228-F230 WeakPolarHBondContact O-CD2 3.31Å; P228-F230 PolarHBondContact O-N 3.41Å; P228-F230 VanDerWaalsContact O-N 3.09Å; F230-G232 PolarHBondContact O-N 3.5Å; F230-L233 HydrophobicContact CD1-CD1 4.17Å | ||
| 231 | R | 60.6 | Low | 60.8 | Low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 107.1 | 174.6 | -84.4 | -171.8 | -90.7 | -134.2 | -0.4 | 109.4 | N229 | N229-R231 PolarHBondContact O-N 3.19Å; N229-R231 WeakPolarHBondContact OD1-CB 3.47Å; N229-R231 PolarHBondContact OD1-NE 2.93Å |
| 232 | G | 56.4 | Low | 60.9 | Low | 61 Ų | 61 | 136.6 Ų | 136.6 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.2 | 12.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | F230 | F230-G232 PolarHBondContact O-N 3.5Š|
| 233 | L | 58.5 | Low | 61 | Low | 139 Ų | 139 | 134.9 Ų | 134.9 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -97.3 | 3.3 | 175.6 | -67 | 178 | 0 | 0 | 0 | 114.4 | F230 | F230-L233 HydrophobicContact CD1-CD1 4.17Š|
| 234 | D | 60.8 | Low | 60.8 | Low | 165 Ų | 165 | 137.5 Ų | 137.5 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -111.3 | 14.1 | -176.3 | -61.9 | -46.4 | 0 | 0 | 0 | 113.9 | ||||
| 235 | E | 42.6 | Very low | 60.6 | Low | 257 Ų | 257 | 138.6 Ų | 138.6 | 100% | 1.201 | 77% | 0.767 | S | S | * | * | trans | -104.7 | 0 | 175.8 | -96.7 | -173.2 | 136.6 | 0 | 0 | 113.5 |
Retrieved 235 of 235 residues in 139.6 ms
(Link to these results)