| 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 | 39.8 | Very low | 49.1 | Very low | 244 Ų | 244 | 155.8 Ų | 155.8 | 100% | 1.202 | 86% | 0.863 | S | S | * | * | 0 | 126.2 | 0 | -71.4 | 157.2 | 83.5 | 0 | 0 | 107.9 | |||||
| 2 | S | 39.5 | Very low | 49.1 | Very low | 117 Ų | 117 | 155 Ų | 155 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | 41.6 | 102.5 | 168.5 | -72.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3 | M | 39 | Very low | 48.9 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 91% | 0.906 | 85% | 0.854 | S | S | * | * | 80.6 | 92.3 | 74.4 | -68.1 | -70.4 | -93.3 | 0 | 0 | 113.8 | |||||
| 4 | A | 49.2 | Very low | 48.3 | Very low | 101 Ų | 101 | 156.1 Ų | 156.1 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 131.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 5 | R | 61.2 | Low | 48.4 | Very low | 243 Ų | 243 | 161.3 Ų | 161.3 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 134.5 | 176.7 | -69.7 | -176.3 | 172.2 | 173.9 | -2 | 110.4 | ||
| 6 | P | 58.9 | Low | 48.1 | Very low | 122 Ų | 122 | 162.7 Ų | 162.7 | 79% | 0.792 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -89 | 137.4 | 165 | 32.5 | -29.1 | 0 | 0 | 0 | 111 | ||
| 7 | L | 57.5 | Low | 47.7 | Very low | 177 Ų | 177 | 160.2 Ų | 160.2 | 93% | 0.927 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 117.6 | 171.2 | -72.5 | 169.1 | 0 | 0 | 0 | 109.4 | ||
| 8 | Q | 55.4 | Low | 47.7 | Very low | 176 Ų | 176 | 156.2 Ų | 156.2 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 128.3 | 172.4 | -80.8 | 176.1 | -28.6 | 0 | 0 | 110.8 | ||
| 9 | V | 51.4 | Low | 47.5 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -87.3 | 105.8 | 163.4 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | C | 43.3 | Very low | 47.4 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 70% | 0.696 | 83% | 0.833 | S | S | * | * | trans | -86.1 | 109.6 | 172.5 | -84.9 | 0 | 0 | 0 | 0 | 110.1 | L12 | C10-L12 PolarHBondContact O-N 3.29Š| ||
| 11 | C | 44.9 | Very low | 47.3 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 75% | 0.75 | 83% | 0.834 | S | S | * | * | trans | -71 | 115.6 | 164.6 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | L | 49.5 | Very low | 47.4 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -98.1 | 92.2 | 166.6 | -70.7 | 175.8 | 0 | 0 | 0 | 109.6 | C10 F14 | C10-L12 PolarHBondContact O-N 3.29Å; L12-F14 HydrophobicContact CB-CE2 4.48Å; L12-F14 PolarHBondContact O-N 3.43Å | ||
| 13 | L | 46.3 | Very low | 47.6 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -77.5 | 101.7 | 161.9 | -69.7 | 171 | 0 | 0 | 0 | 108.2 | R15 | L13-R15 PolarHBondContact O-N 3.1Å; L13-R15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | F | 40.9 | Very low | 48 | Very low | 164 Ų | 164 | 142 Ų | 142 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 101.1 | 165.8 | -88.2 | -80.5 | 0 | 0 | 0 | 109.7 | L12 F16 | L12-F14 HydrophobicContact CB-CE2 4.48Å; L12-F14 PolarHBondContact O-N 3.43Å; F14-F16 HydrophobicContact CD1-CD2 4.38Å; F14-F16 AromaticContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CE1-CE2 4.44Å | ||
| 15 | R | 49.8 | Very low | 47.7 | Very low | 234 Ų | 234 | 141.4 Ų | 141.4 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -76 | 111.2 | 157.8 | -73.3 | -173.2 | 145.2 | 177.5 | -4.8 | 108.4 | L13 | L13-R15 PolarHBondContact O-N 3.1Å; L13-R15 VanDerWaalsContact O-N 3.15Å | ||
| 16 | F | 42.6 | Very low | 46.5 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | trans | -108.9 | 102.4 | 153.4 | -86.1 | -78.1 | 0 | 0 | 0 | 108.6 | F14 | F14-F16 HydrophobicContact CD1-CD2 4.38Å; F14-F16 AromaticContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CE1-CE2 4.44Å | ||
| 17 | S | 42.4 | Very low | 46.2 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -78.2 | 129.8 | 156.1 | -169.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 18 | A | 47.3 | Very low | 45.4 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -147.6 | 150 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | P | 44.4 | Very low | 44.7 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -89.3 | 154.5 | -150.9 | 35 | -34.7 | 0 | 0 | 0 | 114 | ||||
| 20 | S | 45.7 | Very low | 44.4 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 132.4 | 162.9 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | L | 44.6 | Very low | 44.6 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -156 | 106.3 | 153.9 | -100.9 | 158 | 0 | 0 | 0 | 109.1 | ||||
| 22 | A | 41.1 | Very low | 44.3 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | 39 | 111.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 23 | S | 44.8 | Very low | 44 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -65.2 | 127.2 | 155.3 | -84.4 | 0 | 0 | 0 | 0 | 110.5 | A25 | S23-A25 PolarHBondContact O-N 3.2Š| ||
| 24 | P | 46 | Very low | 43.8 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -80 | 111.1 | 160.9 | 30.1 | -25.1 | 0 | 0 | 0 | 108.1 | C26 | P24-C26 PolarHBondContact O-N 3.45Å; P24-C26 VanDerWaalsContact O-N 3.1Å | ||
| 25 | A | 44.4 | Very low | 44.1 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 105.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S23 L27 | S23-A25 PolarHBondContact O-N 3.2Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.13Å | ||
| 26 | C | 36 | Very low | 44 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 83.8 | 168.3 | -69.6 | 0 | 0 | 0 | 0 | 109.1 | P24 N28 | P24-C26 PolarHBondContact O-N 3.45Å; P24-C26 VanDerWaalsContact O-N 3.1Å; C26-N28 PolarHBondContact O-N 2.78Å | ||
| 27 | L | 51 | Low | 44.1 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -66.1 | 102 | 156.9 | -71.7 | 166 | 0 | 0 | 0 | 108.1 | A25 | A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.13Å | ||
| 28 | N | 42.6 | Very low | 44.6 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -122.7 | 72.2 | 159.7 | -84 | -17.9 | 0 | 0 | 0 | 108.4 | C26 V30 | C26-N28 PolarHBondContact O-N 2.78Å; N28-V30 VanDerWaalsContact C-N 3.31Å; N28-V30 PolarHBondContact O-N 2.81Å; N28-V30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | G | 40.8 | Very low | 44.7 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -72.8 | 89 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R31 | G29-R31 VanDerWaalsContact C-N 3.35Å; G29-R31 PolarHBondContact O-N 3.35Å | ||
| 30 | V | 45 | Very low | 44.9 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | -74.2 | 95.6 | 166.8 | 180 | 0 | 0 | 0 | 0 | 106.8 | N28 F32 | N28-V30 VanDerWaalsContact C-N 3.31Å; N28-V30 PolarHBondContact O-N 2.81Å; N28-V30 VanDerWaalsContact O-N 3.13Å; V30-F32 HydrophobicContact CG1-CD2 4.34Å; V30-F32 PolarHBondContact O-N 3.05Å | ||
| 31 | R | 47.5 | Very low | 45 | Very low | 238 Ų | 238 | 138.4 Ų | 138.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -62.7 | 100.9 | 162.2 | -71.4 | -175.5 | -171.2 | -180 | 2.5 | 107.1 | G29 S33 | G29-R31 VanDerWaalsContact C-N 3.35Å; G29-R31 PolarHBondContact O-N 3.35Å; R31-S33 PolarHBondContact O-N 2.87Å | ||
| 32 | F | 37.7 | Very low | 44.9 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -77.6 | 98.7 | 166.9 | -138.8 | -91.9 | 0 | 0 | 0 | 106.8 | V30 S34 | V30-F32 HydrophobicContact CG1-CD2 4.34Å; V30-F32 PolarHBondContact O-N 3.05Å; F32-S34 PolarHBondContact O-N 3.26Å | ||
| 33 | S | 42.2 | Very low | 44.8 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -63.3 | 104.6 | 169.7 | -63.2 | 0 | 0 | 0 | 0 | 108.3 | R31 R35 | R31-S33 PolarHBondContact O-N 2.87Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.28Å | ||
| 34 | S | 43.9 | Very low | 45 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 95.9 | 165.5 | -177.9 | 0 | 0 | 0 | 0 | 108 | F32 G36 | F32-S34 PolarHBondContact O-N 3.26Å; S34-G36 PolarHBondContact O-N 3.05Å | ||
| 35 | R | 46.2 | Very low | 45 | Very low | 236 Ų | 236 | 140.6 Ų | 140.6 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -78.5 | 98.1 | 161.3 | -105.3 | -178.4 | 154.7 | -154.8 | -6 | 106.4 | S33 N37 | S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.28Å; R35-N37 PolarHBondContact O-N 3.26Å | ||
| 36 | G | 48.2 | Very low | 44.8 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -55.2 | 116.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | S34 | S34-G36 PolarHBondContact O-N 3.05Š| ||
| 37 | N | 44.8 | Very low | 45.4 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | -116.5 | 83.8 | 170.9 | -149 | 77.8 | 0 | 0 | 0 | 106.1 | R35 K39 | R35-N37 PolarHBondContact O-N 3.26Å; N37-K39 VanDerWaalsContact C-N 3.28Å; N37-K39 WeakPolarHBondContact ND2-CE 3.46Å; N37-K39 WeakPolarHBondContact ND2-CG 3.43Å; N37-K39 PolarHBondContact O-N 3.02Å | ||
| 38 | S | 51.9 | Low | 45 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -61.8 | 92.3 | 166.9 | 41.8 | 0 | 0 | 0 | 0 | 108.2 | T40 | S38-T40 PolarHBondContact O-N 3.11Š| ||
| 39 | K | 50.2 | Low | 45.3 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | trans | -89.9 | 92.2 | 164.4 | -77.7 | -178.1 | 172.7 | -173.3 | 0 | 107.1 | N37 W41 | N37-K39 VanDerWaalsContact C-N 3.28Å; N37-K39 WeakPolarHBondContact ND2-CE 3.46Å; N37-K39 WeakPolarHBondContact ND2-CG 3.43Å; N37-K39 PolarHBondContact O-N 3.02Å; K39-W41 PolarHBondContact O-N 2.92Å | ||
| 40 | T | 49.3 | Very low | 45.2 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -54.8 | 118.2 | 158 | 40.2 | 0 | 0 | 0 | 0 | 108 | S38 V42 | S38-T40 PolarHBondContact O-N 3.11Å; T40-V42 PolarHBondContact O-N 3.12Å | ||
| 41 | W | 45.9 | Very low | 45.5 | Very low | 249 Ų | 249 | 150.8 Ų | 150.8 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -72.8 | 105.8 | 166.9 | -77.2 | 80.2 | 0 | 0 | 0 | 106.9 | K39 G43 | K39-W41 PolarHBondContact O-N 2.92Å; W41-G43 PolarHBondContact O-N 3.42Å | ||
| 42 | V | 43.9 | Very low | 45.3 | Very low | 129 Ų | 129 | 146 Ų | 146 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | -74.3 | 107 | 168.1 | 178.7 | 0 | 0 | 0 | 0 | 106.5 | T40 Q44 | T40-V42 PolarHBondContact O-N 3.12Å; V42-Q44 PolarHBondContact O-N 2.94Å; V42-Q44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | G | 38.8 | Very low | 46 | Very low | 72 Ų | 72 | 148.9 Ų | 148.9 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | -56 | 113.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | W41 N45 | W41-G43 PolarHBondContact O-N 3.42Å; G43-N45 PolarHBondContact O-N 3.06Å | ||
| 44 | Q | 48.4 | Very low | 46.3 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -77.4 | 108.3 | 171.7 | 177.5 | 178.9 | -27.2 | 0 | 0 | 108 | V42 | V42-Q44 PolarHBondContact O-N 2.94Å; V42-Q44 VanDerWaalsContact O-N 3.15Å | ||
| 45 | N | 46.3 | Very low | 46.7 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -164.8 | 101.4 | 157.9 | -87.1 | -35.6 | 0 | 0 | 0 | 109.5 | G43 | G43-N45 PolarHBondContact O-N 3.06Š| ||
| 46 | H | 40.8 | Very low | 46.7 | Very low | 195 Ų | 195 | 149 Ų | 149 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -148.5 | 114.3 | 144.4 | -81.6 | -61.1 | 0 | 0 | 0 | 109.9 | S48 | H46-S48 PolarHBondContact O-N 3.45Š| ||
| 47 | V | 48.4 | Very low | 46.5 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -52.4 | 126.2 | 154.7 | 167.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 48 | S | 42.2 | Very low | 46.8 | Very low | 113 Ų | 113 | 155.3 Ų | 155.3 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -158.1 | 106.8 | 151 | -80.3 | 0 | 0 | 0 | 0 | 107.9 | H46 | H46-S48 PolarHBondContact O-N 3.45Š| ||
| 49 | G | 48.8 | Very low | 46.7 | Very low | 78 Ų | 78 | 158.8 Ų | 158.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -70 | 128.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 50 | D | 38.5 | Very low | 46.8 | Very low | 156 Ų | 156 | 156.9 Ų | 156.9 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -145.8 | 138.4 | 145.5 | -145.2 | -12.8 | 0 | 0 | 0 | 111.6 | T52 | D50-T52 PolarHBondContact O-N 3.06Š| ||
| 51 | R | 52.4 | Low | 47 | Very low | 234 Ų | 234 | 158.2 Ų | 158.2 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -77.1 | 111.6 | -180 | -80.8 | 168.4 | 155.4 | 175.8 | -5.1 | 108.9 | ||||
| 52 | T | 42.5 | Very low | 47.5 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 89.7 | 150.8 | 42.6 | 0 | 0 | 0 | 0 | 110.5 | D50 S54 | D50-T52 PolarHBondContact O-N 3.06Å; T52-S54 PolarHBondContact O-N 2.94Å | ||
| 53 | R | 53 | Low | 48.1 | Very low | 249 Ų | 249 | 152.1 Ų | 152.1 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -71.1 | 110.7 | 157 | -179.9 | -173.3 | -162.5 | -162.9 | 5.6 | 107.4 | ||||
| 54 | S | 47 | Very low | 49 | Very low | 101 Ų | 101 | 154.8 Ų | 154.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -164.7 | 114.1 | 150.7 | -98.7 | 0 | 0 | 0 | 0 | 111.9 | T52 | T52-S54 PolarHBondContact O-N 2.94Š| ||
| 55 | Q | 52.5 | Low | 49.9 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 52.5 | 85.2 | 136.5 | -98.4 | 179.4 | -17 | 0 | 0 | 118.2 | ||||
| 56 | I | 46.7 | Very low | 51.1 | Low | 166 Ų | 166 | 149.8 Ų | 149.8 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -129.5 | 89.2 | 146.8 | -60.7 | 176.4 | 0 | 0 | 0 | 104.8 | ||||
| 57 | S | 43.3 | Very low | 52.9 | Low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | 66.6 | 84.1 | 102.8 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | F59 | S57-F59 PolarHBondContact O-N 3.07Å; S57-F59 VanDerWaalsContact O-N 3.1Å | |||
| 58 | R | 52.4 | Low | 54.4 | Low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -52.3 | 103.1 | 160.2 | -65.7 | 168.2 | 177 | 166.6 | -2.4 | 108.4 | ||
| 59 | F | 48.7 | Very low | 56.4 | Low | 185 Ų | 185 | 144.3 Ų | 144.3 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | 174.7 | 77.9 | 160.3 | -91.3 | -65.1 | 0 | 0 | 0 | 106.3 | S57 | S57-F59 PolarHBondContact O-N 3.07Å; S57-F59 VanDerWaalsContact O-N 3.1Å | ||
| 60 | N | 52.5 | Low | 58.4 | Low | 123 Ų | 123 | 145.1 Ų | 145.1 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | trans | -165 | 21 | 162.6 | -85.7 | -37.7 | 0 | 0 | 0 | 113 | D62 | N60-D62 PolarHBondContact O-N 3.31Å; N60-D62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | D | 54 | Low | 60.8 | Low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 2.4 | -174.2 | -62.2 | -54.7 | 0 | 0 | 0 | 114.7 | ||
| 62 | D | 56.7 | Low | 62.7 | Low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 1.2 | -170.6 | -122.5 | -10.3 | 0 | 0 | 0 | 115 | N60 | N60-D62 PolarHBondContact O-N 3.31Å; N60-D62 VanDerWaalsContact O-N 3.14Å |
| 63 | V | 55.7 | Low | 65.1 | Low | 97 Ų | 97 | 138.3 Ų | 138.3 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -16.9 | 178 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | P65 | V63-P65 VanDerWaalsContact C-CD 3.43Š|
| 64 | E | 58.4 | Low | 67 | Low | 128 Ų | 128 | 131.9 Ų | 131.9 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -55.4 | -44 | 173.7 | -149.3 | 94 | -173.3 | 0 | 0 | 114.7 | E66 L67 E68 | E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 3.49Å; E64-L67 PolarHBondContact O-N 2.86Å; E64-E68 PolarHBondContact O-N 2.92Å |
| 65 | P | 66.3 | Low | 69.3 | Low | 73 Ų | 73 | 131.5 Ų | 131.5 | 47% | 0.474 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.3 | -23.5 | -169.8 | 25.8 | -32.9 | 0 | 0 | 0 | 113.9 | V63 V69 | V63-P65 VanDerWaalsContact C-CD 3.43Å; P65-V69 WeakPolarHBondContact O-CB 3.49Å; P65-V69 WeakPolarHBondContact O-CG2 3.48Å; P65-V69 PolarHBondContact O-N 3.15Å |
| 66 | E | 72.3 | Confident | 71.4 | Confident | 147 Ų | 147 | 125.3 Ų | 125.3 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.1 | -35.2 | 175.2 | -172.5 | 171.7 | -177.5 | 0 | 0 | 111.7 | E64 L70 | E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 3.49Å; E66-L70 HydrophobicContact CG-CD1 4.49Å; E66-L70 VanDerWaalsContact O-CG 3.29Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.07Å; E66-L70 VanDerWaalsContact O-N 3.13Å |
| 67 | L | 77.9 | Confident | 73.7 | Confident | 120 Ų | 120 | 121.9 Ų | 121.9 | 63% | 0.628 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.4 | -42.9 | 176.6 | -108.9 | 164.7 | 0 | 0 | 0 | 111.8 | E64 V69 L70 E71 | E64-L67 PolarHBondContact O-N 2.86Å; L67-V69 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 2.77Å; L67-E71 PolarHBondContact O-N 2.79Å |
| 68 | E | 80.4 | Confident | 76.3 | Confident | 120 Ų | 120 | 121.9 Ų | 121.9 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.5 | -41.5 | 178.1 | -160.4 | 170 | -152.7 | 0 | 0 | 111.3 | E64 L70 E71 D72 | E64-E68 PolarHBondContact O-N 2.92Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 3.1Å; E68-E71 PolarHBondContact O-N 2.93Å; E68-D72 PolarHBondContact O-N 3.37Å |
| 69 | V | 84.9 | Confident | 78.3 | Confident | 96 Ų | 96 | 113.6 Ų | 113.6 | 58% | 0.582 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -35.4 | 174.1 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | P65 L67 K73 | P65-V69 WeakPolarHBondContact O-CB 3.49Å; P65-V69 WeakPolarHBondContact O-CG2 3.48Å; P65-V69 PolarHBondContact O-N 3.15Å; L67-V69 PolarHBondContact O-N 2.97Å; V69-K73 VanDerWaalsContact O-CB 3.29Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 PolarHBondContact O-N 3.05Å; V69-K73 VanDerWaalsContact O-N 3.11Å |
| 70 | L | 89.6 | Confident | 80.6 | Confident | 94 Ų | 94 | 112.4 Ų | 112.4 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.7 | -36.9 | 175.1 | -74.9 | 171.1 | 0 | 0 | 0 | 112.2 | E66 L67 E68 K73 L74 | E66-L70 HydrophobicContact CG-CD1 4.49Å; E66-L70 VanDerWaalsContact O-CG 3.29Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.07Å; E66-L70 VanDerWaalsContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 2.77Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 3.1Å; L70-K73 PolarHBondContact O-N 3.16Å; L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 PolarHBondContact O-N 3.3Å |
| 71 | E | 88.7 | Confident | 82.6 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.8 | -47.4 | 174.9 | -176.4 | 165.3 | -148.3 | 0 | 0 | 111.4 | L67 E68 K73 L74 Q75 | L67-E71 PolarHBondContact O-N 2.79Å; E68-E71 PolarHBondContact O-N 2.93Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.96Å; E71-L74 WeakPolarHBondContact O-CB 3.21Å; E71-L74 PolarHBondContact O-N 3.45Å; E71-L74 VanDerWaalsContact O-N 3.14Å; E71-Q75 WeakPolarHBondContact O-CB 3.45Å; E71-Q75 PolarHBondContact O-N 3.14Å |
| 72 | D | 92.6 | Very high | 84.6 | Confident | 108 Ų | 108 | 107.1 Ų | 107.1 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.4 | -41.2 | 173.5 | -82.2 | -18.3 | 0 | 0 | 0 | 112 | E68 Q75 A76 | E68-D72 PolarHBondContact O-N 3.37Å; D72-Q75 PolarHBondContact O-N 3.3Å; D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.12Å |
| 73 | K | 93.2 | Very high | 86.5 | Confident | 142 Ų | 142 | 108.2 Ų | 108.2 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 178.2 | -171.3 | 175.8 | -177.2 | -179.8 | 0 | 111.8 | V69 L70 E71 V77 | V69-K73 VanDerWaalsContact O-CB 3.29Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 PolarHBondContact O-N 3.05Å; V69-K73 VanDerWaalsContact O-N 3.11Å; L70-K73 PolarHBondContact O-N 3.16Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.96Å; K73-V77 WeakPolarHBondContact O-CG2 3.29Å; K73-V77 PolarHBondContact O-N 3.46Å |
| 74 | L | 94.1 | Very high | 88.4 | Confident | 114 Ų | 114 | 110.8 Ų | 110.8 | 60% | 0.597 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -46.9 | 174.2 | -172 | 102.3 | 0 | 0 | 0 | 110.4 | L70 E71 A76 V77 L78 | L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 PolarHBondContact O-N 3.3Å; E71-L74 WeakPolarHBondContact O-CB 3.21Å; E71-L74 PolarHBondContact O-N 3.45Å; E71-L74 VanDerWaalsContact O-N 3.14Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-A76 PolarHBondContact O-N 3.39Å; L74-V77 PolarHBondContact O-N 2.88Å; L74-V77 VanDerWaalsContact O-N 3.16Å; L74-L78 HydrophobicContact CD2-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.03Å |
| 75 | Q | 94.8 | Very high | 90.3 | Very high | 93 Ų | 93 | 110.2 Ų | 110.2 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.7 | -173.2 | 58.5 | 31.6 | 0 | 0 | 111.5 | E71 D72 V77 L78 D79 | E71-Q75 WeakPolarHBondContact O-CB 3.45Å; E71-Q75 PolarHBondContact O-N 3.14Å; D72-Q75 PolarHBondContact O-N 3.3Å; Q75-V77 VanDerWaalsContact C-N 3.31Å; Q75-V77 PolarHBondContact O-N 2.98Å; Q75-L78 PolarHBondContact O-N 3.09Å; Q75-D79 PolarHBondContact NE2-OD2 3.18Å; Q75-D79 PolarHBondContact O-N 3.3Å |
| 76 | A | 96 | Very high | 91.7 | Very high | 59 Ų | 59 | 114.3 Ų | 114.3 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.1 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D72 L74 K80 | D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.12Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-A76 PolarHBondContact O-N 3.39Å; A76-K80 VanDerWaalsContact O-CB 3.27Å; A76-K80 WeakPolarHBondContact O-CB 3.42Å; A76-K80 PolarHBondContact O-N 3.22Å |
| 77 | V | 95.9 | Very high | 92.9 | Very high | 93 Ų | 93 | 110 Ų | 110 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | K73 L74 Q75 K80 E81 | K73-V77 WeakPolarHBondContact O-CG2 3.29Å; K73-V77 PolarHBondContact O-N 3.46Å; L74-V77 PolarHBondContact O-N 2.88Å; L74-V77 VanDerWaalsContact O-N 3.16Å; Q75-V77 VanDerWaalsContact C-N 3.31Å; Q75-V77 PolarHBondContact O-N 2.98Å; V77-K80 PolarHBondContact O-N 2.94Å; V77-E81 PolarHBondContact O-N 3.06Å |
| 78 | L | 96.1 | Very high | 93.8 | Very high | 95 Ų | 95 | 108.5 Ų | 108.5 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.9 | -69.5 | 177.4 | 0 | 0 | 0 | 111.9 | L74 Q75 E81 K82 | L74-L78 HydrophobicContact CD2-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.03Å; Q75-L78 PolarHBondContact O-N 3.09Å; L78-E81 PolarHBondContact O-N 3.22Å; L78-K82 WeakPolarHBondContact O-CB 3.17Å; L78-K82 PolarHBondContact O-N 3.48Å |
| 79 | D | 95.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 109.1 Ų | 109.1 | 31% | 0.305 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 178 | -78.5 | -32.9 | 0 | 0 | 0 | 112.4 | Q75 E81 K82 R83 | Q75-D79 PolarHBondContact NE2-OD2 3.18Å; Q75-D79 PolarHBondContact O-N 3.3Å; D79-E81 VanDerWaalsContact C-N 3.33Å; D79-K82 PolarHBondContact O-N 2.69Å; D79-R83 WeakPolarHBondContact O-CB 3.27Å; D79-R83 VanDerWaalsContact O-CG 3.24Å; D79-R83 WeakPolarHBondContact O-CG 3.31Å; D79-R83 PolarHBondContact O-N 3.04Å |
| 80 | K | 96.4 | Very high | 95.2 | Very high | 161 Ų | 161 | 109.7 Ų | 109.7 | 70% | 0.7 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 173.4 | -173.8 | 176.9 | -177 | 178.2 | 0 | 111.2 | A76 V77 R83 R84 | A76-K80 VanDerWaalsContact O-CB 3.27Å; A76-K80 WeakPolarHBondContact O-CB 3.42Å; A76-K80 PolarHBondContact O-N 3.22Å; V77-K80 PolarHBondContact O-N 2.94Å; K80-R83 PolarHBondContact O-N 3.42Å; K80-R84 PolarHBondContact O-N 2.87Å |
| 81 | E | 95.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 108.2 Ų | 108.2 | 27% | 0.271 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.2 | -175.8 | 54.4 | -147 | 0 | 0 | 111.3 | V77 L78 D79 R83 R84 Q85 | V77-E81 PolarHBondContact O-N 3.06Å; L78-E81 PolarHBondContact O-N 3.22Å; D79-E81 VanDerWaalsContact C-N 3.33Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 2.94Å; E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-R84 VanDerWaalsContact O-N 3.11Å; E81-R84 IonicContact OE1-CZ 3.33Å; E81-R84 IonicContact OE1-NE 3.18Å; E81-R84 PolarHBondContact OE1-NE 3.02Å; E81-R84 IonicContact OE1-NH2 3.03Å; E81-R84 PolarHBondContact OE1-NH2 2.72Å; E81-R84 IonicContact OE2-CZ 3.08Å; E81-R84 IonicContact OE2-NE 3.01Å; E81-R84 PolarHBondContact OE2-NE 2.89Å; E81-R84 IonicContact OE2-NH1 3.91Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 2.89Å; E81-Q85 WeakPolarHBondContact O-CG 3.29Å; E81-Q85 PolarHBondContact O-N 3.27Å; E81-Q85 PolarHBondContact OE1-NE2 3.26Å |
| 82 | K | 96 | Very high | 95.8 | Very high | 104 Ų | 104 | 106.2 Ų | 106.2 | 45% | 0.452 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.4 | -167.4 | 176.7 | -173.4 | 178.6 | 0 | 111.8 | L78 D79 Q85 R86 | L78-K82 WeakPolarHBondContact O-CB 3.17Å; L78-K82 PolarHBondContact O-N 3.48Å; D79-K82 PolarHBondContact O-N 2.69Å; K82-Q85 PolarHBondContact O-N 2.93Å; K82-R86 WeakPolarHBondContact O-CB 3.48Å; K82-R86 VanDerWaalsContact O-CG 3.22Å; K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.26Å |
| 83 | R | 96.1 | Very high | 96 | Very high | 178 Ų | 178 | 104.7 Ų | 104.7 | 67% | 0.672 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 173 | -73.5 | 172.9 | -167.1 | 172.5 | 6.1 | 111.6 | D79 K80 E81 R86 S87 | D79-R83 WeakPolarHBondContact O-CB 3.27Å; D79-R83 VanDerWaalsContact O-CG 3.24Å; D79-R83 WeakPolarHBondContact O-CG 3.31Å; D79-R83 PolarHBondContact O-N 3.04Å; K80-R83 PolarHBondContact O-N 3.42Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 2.94Å; R83-R86 PolarHBondContact O-N 3.24Å; R83-S87 PolarHBondContact O-N 3.17Å; R83-S87 PolarHBondContact O-OG 3.05Å |
| 84 | R | 96.2 | Very high | 96 | Very high | 151 Ų | 151 | 104.5 Ų | 104.5 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -47 | 175 | -170.2 | -179.1 | 75.6 | 160.8 | 3.6 | 111.4 | K80 E81 R86 S87 V88 | K80-R84 PolarHBondContact O-N 2.87Å; E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-R84 VanDerWaalsContact O-N 3.11Å; E81-R84 IonicContact OE1-CZ 3.33Å; E81-R84 IonicContact OE1-NE 3.18Å; E81-R84 PolarHBondContact OE1-NE 3.02Å; E81-R84 IonicContact OE1-NH2 3.03Å; E81-R84 PolarHBondContact OE1-NH2 2.72Å; E81-R84 IonicContact OE2-CZ 3.08Å; E81-R84 IonicContact OE2-NE 3.01Å; E81-R84 PolarHBondContact OE2-NE 2.89Å; E81-R84 IonicContact OE2-NH1 3.91Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 2.89Å; R84-R86 PolarHBondContact O-N 3.47Å; R84-S87 PolarHBondContact O-N 3.32Å; R84-S87 PolarHBondContact O-OG 2.77Å; R84-V88 VanDerWaalsContact O-CG2 3.3Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; R84-V88 PolarHBondContact O-N 3.08Å |
| 85 | Q | 96.4 | Very high | 95.9 | Very high | 116 Ų | 116 | 108.6 Ų | 108.6 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.8 | -69.5 | 177.9 | 9.2 | 0 | 0 | 111.7 | E81 K82 S87 V88 K89 | E81-Q85 WeakPolarHBondContact O-CG 3.29Å; E81-Q85 PolarHBondContact O-N 3.27Å; E81-Q85 PolarHBondContact OE1-NE2 3.26Å; K82-Q85 PolarHBondContact O-N 2.93Å; Q85-S87 PolarHBondContact O-N 3.48Å; Q85-V88 PolarHBondContact O-N 3.4Å; Q85-K89 VanDerWaalsContact O-CB 3.29Å; Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 PolarHBondContact O-N 2.68Å |
| 86 | R | 96.8 | Very high | 95.7 | Very high | 158 Ų | 158 | 111.9 Ų | 111.9 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 174.7 | -75.7 | 171.8 | 175.5 | -174.7 | -4.5 | 112 | K82 R83 R84 K89 F90 | K82-R86 WeakPolarHBondContact O-CB 3.48Å; K82-R86 VanDerWaalsContact O-CG 3.22Å; K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.26Å; R83-R86 PolarHBondContact O-N 3.24Å; R84-R86 PolarHBondContact O-N 3.47Å; R86-K89 PolarHBondContact O-N 3.15Å; R86-F90 WeakPolarHBondContact O-CB 3.43Å; R86-F90 PolarHBondContact O-N 3.21Å |
| 87 | S | 97 | Very high | 95.4 | Very high | 56 Ų | 56 | 116.2 Ų | 116.2 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | -179.8 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | R83 R84 Q85 F90 N91 | R83-S87 PolarHBondContact O-N 3.17Å; R83-S87 PolarHBondContact O-OG 3.05Å; R84-S87 PolarHBondContact O-N 3.32Å; R84-S87 PolarHBondContact O-OG 2.77Å; Q85-S87 PolarHBondContact O-N 3.48Å; S87-F90 PolarHBondContact O-N 3Å; S87-N91 WeakPolarHBondContact O-CB 3.42Å; S87-N91 VanDerWaalsContact O-CG 3.24Å; S87-N91 PolarHBondContact O-N 3.21Å; S87-N91 PolarHBondContact O-ND2 3.12Å; S87-N91 VanDerWaalsContact O-ND2 3.1Å |
| 88 | V | 97.2 | Very high | 95.1 | Very high | 89 Ų | 89 | 115.6 Ų | 115.6 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | R84 Q85 F90 N91 M92 | R84-V88 VanDerWaalsContact O-CG2 3.3Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; R84-V88 PolarHBondContact O-N 3.08Å; Q85-V88 PolarHBondContact O-N 3.4Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.88Å; V88-N91 PolarHBondContact O-N 3.03Å; V88-M92 WeakPolarHBondContact O-CB 3.43Å; V88-M92 PolarHBondContact O-N 3.18Å |
| 89 | K | 97.5 | Very high | 94.6 | Very high | 134 Ų | 134 | 116 Ų | 116 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 177.2 | -173.2 | 177.9 | 179.2 | -178.9 | 0 | 110.9 | Q85 R86 M92 I93 | Q85-K89 VanDerWaalsContact O-CB 3.29Å; Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 PolarHBondContact O-N 2.68Å; R86-K89 PolarHBondContact O-N 3.15Å; K89-M92 WeakPolarHBondContact O-CB 3.11Å; K89-M92 PolarHBondContact O-N 2.76Å; K89-I93 HydrophobicContact CG-CD1 3.95Å; K89-I93 VanDerWaalsContact O-CG1 3.3Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.26Å |
| 90 | F | 97.1 | Very high | 93.7 | Very high | 107 Ų | 107 | 119.6 Ų | 119.6 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.7 | -46.7 | 176.1 | 175.5 | -102.2 | 0 | 0 | 0 | 112.4 | R86 S87 V88 M92 I93 R94 | R86-F90 WeakPolarHBondContact O-CB 3.43Å; R86-F90 PolarHBondContact O-N 3.21Å; S87-F90 PolarHBondContact O-N 3Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.88Å; F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 PolarHBondContact O-N 3.37Å; F90-I93 PolarHBondContact O-N 3.25Å; F90-R94 VanDerWaalsContact CE1-CZ 3.41Å; F90-R94 WeakPolarHBondContact O-CB 3.35Å; F90-R94 PolarHBondContact O-N 3.32Å |
| 91 | N | 95.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 115.3 Ų | 115.3 | 34% | 0.342 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -37.2 | 176.9 | -75.8 | -34.9 | 0 | 0 | 0 | 112 | S87 V88 R95 | S87-N91 WeakPolarHBondContact O-CB 3.42Å; S87-N91 VanDerWaalsContact O-CG 3.24Å; S87-N91 PolarHBondContact O-N 3.21Å; S87-N91 PolarHBondContact O-ND2 3.12Å; S87-N91 VanDerWaalsContact O-ND2 3.1Å; V88-N91 PolarHBondContact O-N 3.03Å; N91-R95 WeakPolarHBondContact O-CB 3.41Å; N91-R95 WeakPolarHBondContact O-CG 3.42Å; N91-R95 PolarHBondContact O-N 3.29Å |
| 92 | M | 96.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 116.7 Ų | 116.7 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.2 | -48.7 | 173.7 | -178.8 | 176.5 | 64.7 | 0 | 0 | 111.1 | V88 K89 F90 R95 K96 | V88-M92 WeakPolarHBondContact O-CB 3.43Å; V88-M92 PolarHBondContact O-N 3.18Å; K89-M92 WeakPolarHBondContact O-CB 3.11Å; K89-M92 PolarHBondContact O-N 2.76Å; F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 PolarHBondContact O-N 3.37Å; M92-R95 PolarHBondContact O-N 3.11Å; M92-K96 WeakPolarHBondContact O-CG 3.24Å; M92-K96 PolarHBondContact O-N 3.28Å; M92-K96 VanDerWaalsContact O-N 3.07Å |
| 93 | I | 95.8 | Very high | 91.9 | Very high | 75 Ų | 75 | 116.9 Ų | 116.9 | 39% | 0.385 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.7 | -48.4 | 177 | -68.4 | 166.2 | 0 | 0 | 0 | 110.3 | K89 F90 R95 K96 M97 | K89-I93 HydrophobicContact CG-CD1 3.95Å; K89-I93 VanDerWaalsContact O-CG1 3.3Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.26Å; F90-I93 PolarHBondContact O-N 3.25Å; I93-R95 VanDerWaalsContact C-N 3.29Å; I93-R95 PolarHBondContact O-N 3.29Å; I93-K96 CarbonylContact O-C 3.43Å; I93-K96 WeakPolarHBondContact O-CA 3.35Å; I93-K96 PolarHBondContact O-N 3.17Å; I93-M97 HydrophobicContact CG2-CG 3.91Å; I93-M97 WeakPolarHBondContact O-CB 3.38Å; I93-M97 WeakPolarHBondContact O-CG 3.14Å; I93-M97 PolarHBondContact O-N 2.82Å |
| 94 | R | 93.9 | Very high | 91.5 | Very high | 139 Ų | 139 | 115 Ų | 115 | 53% | 0.525 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -54.8 | -43.9 | 177.5 | -178.3 | -173.7 | -76.7 | -169.9 | -12.3 | 111.9 | F90 K96 M97 T98 | F90-R94 VanDerWaalsContact CE1-CZ 3.41Å; F90-R94 WeakPolarHBondContact O-CB 3.35Å; F90-R94 PolarHBondContact O-N 3.32Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 PolarHBondContact O-N 3.31Å; R94-M97 PolarHBondContact O-N 3.5Å; R94-T98 VanDerWaalsContact O-CB 3.26Å; R94-T98 WeakPolarHBondContact O-CB 3.43Å; R94-T98 PolarHBondContact O-N 3.3Å; R94-T98 PolarHBondContact O-OG1 3.08Å; R94-T98 VanDerWaalsContact O-OG1 3.13Å |
| 95 | R | 91.1 | Very high | 91.3 | Very high | 200 Ų | 200 | 111.2 Ų | 111.2 | 76% | 0.755 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.5 | -31.6 | 176.9 | -72.9 | 171.7 | -171.3 | 175.7 | 3.2 | 113.2 | N91 M92 I93 | N91-R95 WeakPolarHBondContact O-CB 3.41Å; N91-R95 WeakPolarHBondContact O-CG 3.42Å; N91-R95 PolarHBondContact O-N 3.29Å; M92-R95 PolarHBondContact O-N 3.11Å; I93-R95 VanDerWaalsContact C-N 3.29Å; I93-R95 PolarHBondContact O-N 3.29Å |
| 96 | K | 91.6 | Very high | 91.1 | Very high | 161 Ų | 161 | 111.3 Ų | 111.3 | 70% | 0.7 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -76.8 | -36.7 | 176.4 | -71.1 | -177.5 | 177.2 | -169.5 | 0 | 112.1 | M92 I93 R94 | M92-K96 WeakPolarHBondContact O-CG 3.24Å; M92-K96 PolarHBondContact O-N 3.28Å; M92-K96 VanDerWaalsContact O-N 3.07Å; I93-K96 CarbonylContact O-C 3.43Å; I93-K96 WeakPolarHBondContact O-CA 3.35Å; I93-K96 PolarHBondContact O-N 3.17Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 PolarHBondContact O-N 3.31Å |
| 97 | M | 90.4 | Very high | 91 | Very high | 150 Ų | 150 | 104.3 Ų | 104.3 | 74% | 0.739 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -88.3 | -32.1 | -174.9 | -64.7 | -56.5 | -171.2 | 0 | 0 | 113.7 | I93 R94 | I93-M97 HydrophobicContact CG2-CG 3.91Å; I93-M97 WeakPolarHBondContact O-CB 3.38Å; I93-M97 WeakPolarHBondContact O-CG 3.14Å; I93-M97 PolarHBondContact O-N 2.82Å; R94-M97 PolarHBondContact O-N 3.5Å |
| 98 | T | 89.1 | Confident | 90.9 | Very high | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -92.1 | 128.9 | 178.9 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | R94 | R94-T98 VanDerWaalsContact O-CB 3.26Å; R94-T98 WeakPolarHBondContact O-CB 3.43Å; R94-T98 PolarHBondContact O-N 3.3Å; R94-T98 PolarHBondContact O-OG1 3.08Å; R94-T98 VanDerWaalsContact O-OG1 3.13Å |
| 99 | P | 84.4 | Confident | 90.9 | Very high | 104 Ų | 104 | 99.4 Ų | 99.4 | 68% | 0.675 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 138.5 | 177.8 | 22.8 | -33.1 | 0 | 0 | 0 | 110.3 | G101 | P99-G101 PolarHBondContact O-N 3.37Š|
| 100 | P | 78.3 | Confident | 90.8 | Very high | 132 Ų | 132 | 97.4 Ų | 97.4 | 86% | 0.857 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -66.1 | 133.2 | -174 | 25.6 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 101 | G | 82.5 | Confident | 90.8 | Very high | 71 Ų | 71 | 92.8 Ų | 92.8 | 73% | 0.732 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 111.6 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P99 | P99-G101 PolarHBondContact O-N 3.37Š|
| 102 | A | 82.9 | Confident | 90.8 | Very high | 88 Ų | 88 | 90.3 Ų | 90.3 | 73% | 0.727 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -68.2 | 151.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q104 | A102-Q104 PolarHBondContact O-N 3.47Š|
| 103 | P | 84.8 | Confident | 90.8 | Very high | 108 Ų | 108 | 89.9 Ų | 89.9 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 136.1 | 174.4 | -28 | 34.7 | 0 | 0 | 0 | 111.8 | ||
| 104 | Q | 87.6 | Confident | 90.9 | Very high | 138 Ų | 138 | 90.3 Ų | 90.3 | 65% | 0.645 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 132.5 | -176.9 | -66 | -167.1 | 15 | 0 | 0 | 110.7 | A102 R167 | A102-Q104 PolarHBondContact O-N 3.47Å; Q104-R167 VanDerWaalsContact OE1-CZ 3.31Å |
| 105 | R | 90.8 | Very high | 91 | Very high | 71 Ų | 71 | 83.7 Ų | 83.7 | 27% | 0.268 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 126.1 | 175.7 | -172.9 | 177.2 | 175 | 93.1 | 1.4 | 109.7 | L107 T108 W109 I112 D161 V164 | R105-L107 WeakPolarHBondContact CG-O 3.28Å; R105-L107 VanDerWaalsContact CZ-O 3.27Å; R105-L107 PolarHBondContact NE-O 3.18Å; R105-L107 PolarHBondContact NH2-O 2.86Å; R105-T108 VanDerWaalsContact NH2-C 3.3Å; R105-T108 PolarHBondContact NH2-O 3.03Å; R105-W109 VanDerWaalsContact NH2-CA 3.32Å; R105-W109 VanDerWaalsContact NH2-N 3.19Å; R105-I112 VanDerWaalsContact NH1-CD1 3.34Å; R105-D161 IonicContact NH2-OD1 3.83Å; R105-V164 HydrophobicContact CB-CG2 4.12Å; R105-V164 HydrophobicContact CG-CG2 3.79Å |
| 106 | K | 92.5 | Very high | 91.3 | Very high | 118 Ų | 118 | 76.9 Ų | 76.9 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | trans | -101.7 | -27 | 177.6 | -62.7 | -175 | 176.8 | -175 | 0 | 113.4 | V137 V164 | K106-V137 HydrophobicContact CB-CG1 3.88Å; K106-V137 HydrophobicContact CD-CG1 4.18Å; K106-V164 WeakPolarHBondContact O-CG1 3.41Å | ||
| 107 | L | 94.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 75.9 Ų | 75.9 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -104.5 | 143.3 | -174.5 | -62.1 | 170.6 | 0 | 0 | 0 | 111.9 | R105 A111 I112 I115 F135 V137 V141 V145 | R105-L107 WeakPolarHBondContact CG-O 3.28Å; R105-L107 VanDerWaalsContact CZ-O 3.27Å; R105-L107 PolarHBondContact NE-O 3.18Å; R105-L107 PolarHBondContact NH2-O 2.86Å; L107-A111 HydrophobicContact CB-CB 4.42Å; L107-A111 HydrophobicContact CD2-CB 4.35Å; L107-I112 HydrophobicContact CB-CD1 4.47Å; L107-I112 HydrophobicContact CB-CG1 3.94Å; L107-I112 HydrophobicContact CD1-CG1 4.2Å; L107-I115 HydrophobicContact CD1-CD1 3.57Å; L107-I115 HydrophobicContact CD2-CD1 4.44Å; L107-F135 HydrophobicContact CD2-CB 3.99Å; L107-F135 HydrophobicContact CD2-CD1 4.31Å; L107-V137 HydrophobicContact CD1-CG1 4.46Å; L107-V137 HydrophobicContact CD1-CG2 4.41Å; L107-V137 HydrophobicContact CD2-CG1 3.67Å; L107-V137 HydrophobicContact CD2-CG2 4.31Å; L107-V137 HydrophobicContact CG-CG1 3.94Å; L107-V141 HydrophobicContact CD1-CG1 3.88Å; L107-V145 HydrophobicContact CD1-CG2 4.2Å |
| 108 | T | 96 | Very high | 91.8 | Very high | 29 Ų | 29 | 70.7 Ų | 70.7 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | trans | -71.6 | 165 | 166.2 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | R105 D110 A111 I112 D161 V164 M165 | R105-T108 VanDerWaalsContact NH2-C 3.3Å; R105-T108 PolarHBondContact NH2-O 3.03Å; T108-D110 VanDerWaalsContact C-N 3.34Å; T108-A111 PolarHBondContact O-N 3.3Å; T108-A111 WeakPolarHBondContact OG1-CB 3.34Å; T108-A111 PolarHBondContact OG1-N 2.85Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.02Å; T108-I112 VanDerWaalsContact O-N 3.15Å; T108-D161 VanDerWaalsContact CA-OD1 3.28Å; T108-D161 WeakPolarHBondContact CA-OD1 3.32Å; T108-D161 HydrophobicContact CG2-CB 4.41Å; T108-V164 HydrophobicContact CG2-CB 4.38Å; T108-V164 HydrophobicContact CG2-CG1 4Å; T108-M165 HydrophobicContact CG2-CG 4.47Å; T108-M165 HydrophobicContact CG2-SD 4Å | ||
| 109 | W | 95.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 5% | 0.053 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 178.1 | -172.9 | -95.2 | 0 | 0 | 0 | 112.1 | R105 I112 E113 F150 T151 P152 K157 D161 | R105-W109 VanDerWaalsContact NH2-CA 3.32Å; R105-W109 VanDerWaalsContact NH2-N 3.19Å; W109-I112 HydrophobicContact CE3-CD1 4.49Å; W109-I112 HydrophobicContact CH2-CG2 4.47Å; W109-I112 HydrophobicContact CZ3-CG2 4.33Å; W109-I112 WeakPolarHBondContact O-CB 3.43Å; W109-I112 PolarHBondContact O-N 2.93Å; W109-E113 HydrophobicContact CZ2-CG 4.43Å; W109-E113 PolarHBondContact NE1-OE1 3.08Å; W109-E113 PolarHBondContact O-N 3.04Å; W109-F150 VanDerWaalsContact CH2-O 3.26Å; W109-F150 WeakPolarHBondContact CH2-O 3.28Å; W109-T151 HydrophobicContact CZ2-CG2 3.98Å; W109-P152 HydrophobicContact CD2-CG 4.39Å; W109-P152 HydrophobicContact CE3-CG 3.86Å; W109-P152 HydrophobicContact CH2-CG 4.33Å; W109-P152 HydrophobicContact CZ3-CG 3.85Å; W109-K157 HydrophobicContact CB-CB 4.47Å; W109-K157 HydrophobicContact CB-CG 4.42Å; W109-K157 HydrophobicContact CD2-CD 4.11Å; W109-K157 HydrophobicContact CD2-CG 4.12Å; W109-K157 VanDerWaalsContact CE2-CE 3.45Å; W109-K157 HydrophobicContact CG-CB 4.44Å; W109-K157 HydrophobicContact CG-CD 3.78Å; W109-K157 HydrophobicContact CG-CG 3.91Å; W109-D161 VanDerWaalsContact CB-OD2 3.24Å; W109-D161 WeakPolarHBondContact CB-OD2 3.47Å; W109-D161 VanDerWaalsContact N-CG 3.3Å; W109-D161 PolarHBondContact N-OD1 3.08Å; W109-D161 PolarHBondContact N-OD2 3.49Å |
| 110 | D | 95.8 | Very high | 92.7 | Very high | 91 Ų | 91 | 71.6 Ų | 71.6 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 174.5 | -177.7 | 38.2 | 0 | 0 | 0 | 111.6 | T108 I112 E113 Q114 | T108-D110 VanDerWaalsContact C-N 3.34Å; D110-I112 VanDerWaalsContact C-N 3.27Å; D110-I112 PolarHBondContact O-N 3.43Å; D110-E113 PolarHBondContact O-N 3.03Å; D110-Q114 VanDerWaalsContact CG-NE2 3.26Å; D110-Q114 WeakPolarHBondContact O-CG 3.48Å; D110-Q114 PolarHBondContact O-N 3.29Å; D110-Q114 PolarHBondContact OD1-NE2 2.94Å; D110-Q114 PolarHBondContact OD2-NE2 3.19Å |
| 111 | A | 96.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 70.7 Ų | 70.7 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L107 T108 Q114 I115 F135 | L107-A111 HydrophobicContact CB-CB 4.42Å; L107-A111 HydrophobicContact CD2-CB 4.35Å; T108-A111 PolarHBondContact O-N 3.3Å; T108-A111 WeakPolarHBondContact OG1-CB 3.34Å; T108-A111 PolarHBondContact OG1-N 2.85Å; A111-Q114 PolarHBondContact O-N 3.36Å; A111-I115 WeakPolarHBondContact O-CD1 3.42Å; A111-I115 VanDerWaalsContact O-CG1 3.24Å; A111-I115 WeakPolarHBondContact O-CG1 3.26Å; A111-I115 PolarHBondContact O-N 3.21Å; A111-F135 HydrophobicContact CB-CD1 4.04Å; A111-F135 HydrophobicContact CB-CE1 3.91Å |
| 112 | I | 96.5 | Very high | 94.1 | Very high | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.062 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175 | -73.9 | -175.6 | 0 | 0 | 0 | 111.7 | R105 L107 T108 W109 D110 I115 R116 V145 | R105-I112 VanDerWaalsContact NH1-CD1 3.34Å; L107-I112 HydrophobicContact CB-CD1 4.47Å; L107-I112 HydrophobicContact CB-CG1 3.94Å; L107-I112 HydrophobicContact CD1-CG1 4.2Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.02Å; T108-I112 VanDerWaalsContact O-N 3.15Å; W109-I112 HydrophobicContact CE3-CD1 4.49Å; W109-I112 HydrophobicContact CH2-CG2 4.47Å; W109-I112 HydrophobicContact CZ3-CG2 4.33Å; W109-I112 WeakPolarHBondContact O-CB 3.43Å; W109-I112 PolarHBondContact O-N 2.93Å; D110-I112 VanDerWaalsContact C-N 3.27Å; D110-I112 PolarHBondContact O-N 3.43Å; I112-I115 PolarHBondContact O-N 3.46Å; I112-R116 WeakPolarHBondContact O-CG 3.24Å; I112-R116 PolarHBondContact O-N 3.37Å; I112-R116 VanDerWaalsContact O-N 3.12Å; I112-V145 HydrophobicContact CB-CG1 4.49Å; I112-V145 HydrophobicContact CD1-CG2 4.13Å; I112-V145 HydrophobicContact CG1-CG2 4Å; I112-V145 HydrophobicContact CG2-CG1 3.87Å |
| 113 | E | 96.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 71 Ų | 71 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.2 | -74.9 | -179.2 | 166.8 | 0 | 0 | 111.2 | W109 D110 I115 R116 Y117 K157 | W109-E113 HydrophobicContact CZ2-CG 4.43Å; W109-E113 PolarHBondContact NE1-OE1 3.08Å; W109-E113 PolarHBondContact O-N 3.04Å; D110-E113 PolarHBondContact O-N 3.03Å; E113-I115 PolarHBondContact O-N 3.29Å; E113-R116 PolarHBondContact O-N 3.14Å; E113-Y117 WeakPolarHBondContact O-CB 3.42Å; E113-Y117 PolarHBondContact O-N 3.48Å; E113-K157 IonicContact OE1-NZ 2.73Å |
| 114 | Q | 97.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 74.3 Ų | 74.3 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 173.8 | -69.5 | 174 | 20.9 | 0 | 0 | 111.9 | D110 A111 R116 Y117 L118 F135 | D110-Q114 VanDerWaalsContact CG-NE2 3.26Å; D110-Q114 WeakPolarHBondContact O-CG 3.48Å; D110-Q114 PolarHBondContact O-N 3.29Å; D110-Q114 PolarHBondContact OD1-NE2 2.94Å; D110-Q114 PolarHBondContact OD2-NE2 3.19Å; A111-Q114 PolarHBondContact O-N 3.36Å; Q114-R116 VanDerWaalsContact C-N 3.32Å; Q114-R116 PolarHBondContact O-N 3.34Å; Q114-Y117 PolarHBondContact O-N 3.39Å; Q114-L118 WeakPolarHBondContact O-CB 3.41Å; Q114-L118 VanDerWaalsContact O-CG 3.27Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.48Å; Q114-F135 HydrophobicContact CB-CZ 4.13Å |
| 115 | I | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.3 | -46.8 | 175.4 | -71.6 | 160.4 | 0 | 0 | 0 | 111.1 | L107 A111 I112 E113 Y117 K119 L131 F135 I142 V145 L146 | L107-I115 HydrophobicContact CD1-CD1 3.57Å; L107-I115 HydrophobicContact CD2-CD1 4.44Å; A111-I115 WeakPolarHBondContact O-CD1 3.42Å; A111-I115 VanDerWaalsContact O-CG1 3.24Å; A111-I115 WeakPolarHBondContact O-CG1 3.26Å; A111-I115 PolarHBondContact O-N 3.21Å; I112-I115 PolarHBondContact O-N 3.46Å; E113-I115 PolarHBondContact O-N 3.29Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 3.24Å; I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 PolarHBondContact O-N 2.87Å; I115-L131 HydrophobicContact CG2-CD1 4.3Å; I115-F135 HydrophobicContact CD1-CD1 4.17Å; I115-F135 HydrophobicContact CD1-CD2 3.98Å; I115-F135 HydrophobicContact CD1-CE1 4.39Å; I115-F135 HydrophobicContact CD1-CE2 4.22Å; I115-F135 HydrophobicContact CD1-CG 3.96Å; I115-F135 HydrophobicContact CD1-CZ 4.42Å; I115-F135 HydrophobicContact CG1-CD1 4.24Å; I115-F135 HydrophobicContact CG1-CD2 3.57Å; I115-F135 HydrophobicContact CG1-CE1 4.05Å; I115-F135 HydrophobicContact CG1-CE2 3.36Å; I115-F135 HydrophobicContact CG1-CG 4.02Å; I115-F135 HydrophobicContact CG1-CZ 3.62Å; I115-I142 HydrophobicContact CD1-CD1 3.66Å; I115-I142 HydrophobicContact CG1-CD1 4.28Å; I115-I142 HydrophobicContact CG2-CD1 4.35Å; I115-I142 HydrophobicContact CG2-CG2 4.33Å; I115-V145 HydrophobicContact CB-CG1 4.3Å; I115-V145 HydrophobicContact CG2-CG1 3.9Å; I115-L146 HydrophobicContact CG2-CD2 4.14Å |
| 116 | R | 97 | Very high | 95.6 | Very high | 56 Ų | 56 | 71.2 Ų | 71.2 | 21% | 0.211 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 179 | -72.9 | 175.5 | 178.9 | 164.8 | -0.8 | 111.3 | I112 E113 Q114 Q120 V145 S148 F150 | I112-R116 WeakPolarHBondContact O-CG 3.24Å; I112-R116 PolarHBondContact O-N 3.37Å; I112-R116 VanDerWaalsContact O-N 3.12Å; E113-R116 PolarHBondContact O-N 3.14Å; Q114-R116 VanDerWaalsContact C-N 3.32Å; Q114-R116 PolarHBondContact O-N 3.34Å; R116-Q120 VanDerWaalsContact O-CB 3.28Å; R116-Q120 WeakPolarHBondContact O-CB 3.26Å; R116-Q120 PolarHBondContact O-N 3.28Å; R116-V145 HydrophobicContact CG-CG1 4.21Å; R116-S148 PolarHBondContact NH2-O 3.15Å; R116-F150 PolarHBondContact NH2-O 3.11Å |
| 117 | Y | 96.9 | Very high | 95.8 | Very high | 140 Ų | 140 | 68.4 Ų | 68.4 | 55% | 0.549 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -52.4 | 178.2 | 179.4 | -98.7 | 0 | 0 | 0 | 111.7 | E113 Q114 I115 K119 Q120 E121 | E113-Y117 WeakPolarHBondContact O-CB 3.42Å; E113-Y117 PolarHBondContact O-N 3.48Å; Q114-Y117 PolarHBondContact O-N 3.39Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 3.24Å; Y117-K119 VanDerWaalsContact C-N 3.3Å; Y117-K119 PolarHBondContact O-N 3.44Å; Y117-Q120 PolarHBondContact O-N 2.99Å; Y117-E121 HydrophobicContact CD1-CG 4.24Å; Y117-E121 HydrophobicContact CD2-CG 4.14Å; Y117-E121 HydrophobicContact CE1-CG 3.81Å; Y117-E121 HydrophobicContact CE2-CG 3.71Å; Y117-E121 HydrophobicContact CG-CG 4.39Å; Y117-E121 WeakPolarHBondContact O-CG 3.49Å; Y117-E121 PolarHBondContact O-N 2.99Å |
| 118 | L | 96.3 | Very high | 96 | Very high | 41 Ų | 41 | 70.5 Ų | 70.5 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.8 | -43.1 | -179.9 | -69 | 173.8 | 0 | 0 | 0 | 111.9 | Q114 Q120 Q122 W126 L131 F135 | Q114-L118 WeakPolarHBondContact O-CB 3.41Å; Q114-L118 VanDerWaalsContact O-CG 3.27Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.48Å; L118-Q120 VanDerWaalsContact C-N 3.31Å; L118-Q120 PolarHBondContact O-N 2.84Å; L118-Q122 PolarHBondContact O-N 3.19Å; L118-W126 HydrophobicContact CB-CB 4.5Å; L118-W126 HydrophobicContact CB-CD2 4.18Å; L118-W126 HydrophobicContact CB-CG 3.94Å; L118-W126 HydrophobicContact CD1-CD2 4.27Å; L118-W126 HydrophobicContact CD1-CE3 4.41Å; L118-W126 HydrophobicContact CD1-CH2 4.4Å; L118-W126 HydrophobicContact CD1-CZ2 4.28Å; L118-W126 HydrophobicContact CD1-CZ3 4.46Å; L118-W126 HydrophobicContact CD2-CZ2 4.11Å; L118-L131 HydrophobicContact CB-CD2 4.19Å; L118-L131 HydrophobicContact CD1-CD2 4.09Å; L118-F135 HydrophobicContact CD1-CE2 4.17Å; L118-F135 HydrophobicContact CD1-CZ 4.31Å |
| 119 | K | 96.2 | Very high | 96 | Very high | 53 Ų | 53 | 75 Ų | 75 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.6 | -31.4 | 178.4 | -169.6 | 61.2 | 177.9 | 173.3 | 0 | 113 | I115 Y117 P123 W126 L131 L146 | I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 PolarHBondContact O-N 2.87Å; Y117-K119 VanDerWaalsContact C-N 3.3Å; Y117-K119 PolarHBondContact O-N 3.44Å; K119-P123 PolarHBondContact NZ-O 2.98Å; K119-P123 WeakPolarHBondContact O-CA 3.24Å; K119-W126 WeakPolarHBondContact CD-O 3.5Å; K119-W126 PolarHBondContact NZ-O 3.13Å; K119-L131 HydrophobicContact CB-CD1 4.26Å; K119-L131 HydrophobicContact CD-CD1 4.21Å; K119-L146 HydrophobicContact CB-CD1 4.46Å; K119-L146 HydrophobicContact CB-CD2 3.73Å; K119-L146 HydrophobicContact CD-CD1 4.39Å; K119-L146 HydrophobicContact CG-CD1 3.86Å; K119-L146 HydrophobicContact CG-CD2 3.86Å |
| 120 | Q | 95.1 | Very high | 96.1 | Very high | 151 Ų | 151 | 79.5 Ų | 79.5 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -74.1 | -43.3 | 178.8 | 179.2 | 173.8 | -10.3 | 0 | 0 | 111.9 | R116 Y117 L118 | R116-Q120 VanDerWaalsContact O-CB 3.28Å; R116-Q120 WeakPolarHBondContact O-CB 3.26Å; R116-Q120 PolarHBondContact O-N 3.28Å; Y117-Q120 PolarHBondContact O-N 2.99Å; L118-Q120 VanDerWaalsContact C-N 3.31Å; L118-Q120 PolarHBondContact O-N 2.84Å |
| 121 | E | 96 | Very high | 96.1 | Very high | 113 Ų | 113 | 75.2 Ų | 75.2 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.6 | -41.3 | -178.6 | -66.8 | -59.6 | 130.6 | 0 | 0 | 112.1 | Y117 | Y117-E121 HydrophobicContact CD1-CG 4.24Å; Y117-E121 HydrophobicContact CD2-CG 4.14Å; Y117-E121 HydrophobicContact CE1-CG 3.81Å; Y117-E121 HydrophobicContact CE2-CG 3.71Å; Y117-E121 HydrophobicContact CG-CG 4.39Å; Y117-E121 WeakPolarHBondContact O-CG 3.49Å; Y117-E121 PolarHBondContact O-N 2.99Å |
| 122 | Q | 94.8 | Very high | 96.2 | Very high | 90 Ų | 90 | 75.1 Ų | 75.1 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | trans | -139.8 | 75.5 | -171.2 | -75.4 | 175.4 | -12.4 | 0 | 0 | 110.8 | L118 E124 E125 W126 | L118-Q122 PolarHBondContact O-N 3.19Å; Q122-E124 VanDerWaalsContact C-N 3.29Å; Q122-E124 PolarHBondContact O-N 3.3Å; Q122-E125 HydrophobicContact CB-CB 4.27Å; Q122-W126 WeakPolarHBondContact O-CB 3.23Å; Q122-W126 PolarHBondContact O-N 3.19Å | ||
| 123 | P | 93.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 82.1 Ų | 82.1 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.5 | -175.3 | 26 | -34.5 | 0 | 0 | 0 | 113.8 | K119 | K119-P123 PolarHBondContact NZ-O 2.98Å; K119-P123 WeakPolarHBondContact O-CA 3.24Å |
| 124 | E | 93.6 | Very high | 96.2 | Very high | 178 Ų | 178 | 80.9 Ų | 80.9 | 83% | 0.832 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -43 | 179.7 | -171.7 | 171.5 | -170.6 | 0 | 0 | 111.7 | Q122 | Q122-E124 VanDerWaalsContact C-N 3.29Å; Q122-E124 PolarHBondContact O-N 3.3Å |
| 125 | E | 94 | Very high | 96.1 | Very high | 91 Ų | 91 | 78.9 Ų | 78.9 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -40.7 | -179.7 | -173.3 | 166.9 | -175.3 | 0 | 0 | 112.5 | Q122 T127 R130 | Q122-E125 HydrophobicContact CB-CB 4.27Å; E125-T127 PolarHBondContact O-N 3.32Å; E125-R130 WeakPolarHBondContact O-CD 3.49Å; E125-R130 IonicContact OE1-CZ 3.71Å; E125-R130 IonicContact OE1-NH1 3.13Å; E125-R130 PolarHBondContact OE1-NH1 3.1Å; E125-R130 VanDerWaalsContact OE1-NH1 3.13Å; E125-R130 IonicContact OE1-NH2 3.45Å; E125-R130 PolarHBondContact OE1-NH2 2.84Å |
| 126 | W | 95.7 | Very high | 96 | Very high | 52 Ų | 52 | 84.3 Ų | 84.3 | 20% | 0.197 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -91.4 | 73.7 | 176.4 | -64.8 | 99.9 | 0 | 0 | 0 | 110.6 | L118 K119 Q122 R130 L131 | L118-W126 HydrophobicContact CB-CB 4.5Å; L118-W126 HydrophobicContact CB-CD2 4.18Å; L118-W126 HydrophobicContact CB-CG 3.94Å; L118-W126 HydrophobicContact CD1-CD2 4.27Å; L118-W126 HydrophobicContact CD1-CE3 4.41Å; L118-W126 HydrophobicContact CD1-CH2 4.4Å; L118-W126 HydrophobicContact CD1-CZ2 4.28Å; L118-W126 HydrophobicContact CD1-CZ3 4.46Å; L118-W126 HydrophobicContact CD2-CZ2 4.11Å; K119-W126 WeakPolarHBondContact CD-O 3.5Å; K119-W126 PolarHBondContact NZ-O 3.13Å; Q122-W126 WeakPolarHBondContact O-CB 3.23Å; Q122-W126 PolarHBondContact O-N 3.19Å; W126-R130 HydrophobicContact CE3-CG 4.1Å; W126-R130 HydrophobicContact CZ3-CG 4.13Å; W126-L131 HydrophobicContact CB-CD1 4.19Å; W126-L131 HydrophobicContact CB-CD2 4.14Å; W126-L131 HydrophobicContact CB-CG 4.04Å; W126-L131 HydrophobicContact CD2-CD2 4.17Å; W126-L131 HydrophobicContact CE3-CD2 3.67Å; W126-L131 HydrophobicContact CE3-CG 4.16Å; W126-L131 HydrophobicContact CG-CD2 4.37Å; W126-L131 HydrophobicContact CZ3-CD2 4.45Å |
| 127 | T | 96.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 82.3 Ų | 82.3 | 37% | 0.368 | 42% | 0.415 | S | S | . | . | trans | -61.2 | 159.2 | 167.5 | 66 | 0 | 0 | 0 | 0 | 110.4 | E125 E129 R130 L131 | E125-T127 PolarHBondContact O-N 3.32Å; T127-E129 PolarHBondContact O-N 3.28Å; T127-R130 PolarHBondContact O-N 3.39Å; T127-R130 WeakPolarHBondContact OG1-CB 3.26Å; T127-R130 PolarHBondContact OG1-N 3.04Å; T127-L131 PolarHBondContact O-N 3.47Å | ||
| 128 | I | 97.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 78.2 Ų | 78.2 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.1 | -36.4 | 179.7 | -64.3 | 153.5 | 0 | 0 | 0 | 110.3 | A132 Q139 I142 L143 | I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.36Å; I128-A132 PolarHBondContact O-N 3.47Å; I128-Q139 HydrophobicContact CG2-CB 3.9Å; I128-Q139 HydrophobicContact CG2-CG 4.29Å; I128-I142 HydrophobicContact CG2-CB 4.22Å; I128-I142 HydrophobicContact CG2-CG2 4.12Å; I128-L143 HydrophobicContact CD1-CD2 3.56Å; I128-L143 HydrophobicContact CD1-CG 4.46Å; I128-L143 HydrophobicContact CG1-CD2 4.15Å; I128-L143 HydrophobicContact CG2-CD2 4.37Å; I128-L143 HydrophobicContact CG2-CG 4.17Å |
| 129 | E | 97.3 | Very high | 95.9 | Very high | 123 Ų | 123 | 80.6 Ų | 80.6 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.1 | -46 | 179.2 | -45.6 | -167.4 | 144.1 | 0 | 0 | 111.6 | T127 L131 A132 E133 | T127-E129 PolarHBondContact O-N 3.28Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.92Å; E129-A132 WeakPolarHBondContact O-CB 3.32Å; E129-A132 PolarHBondContact O-N 3.26Å; E129-A132 VanDerWaalsContact O-N 3.12Å; E129-E133 PolarHBondContact O-N 3.22Å |
| 130 | R | 96.8 | Very high | 95.9 | Very high | 110 Ų | 110 | 81.7 Ų | 81.7 | 42% | 0.415 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 178.7 | -168.9 | 165.5 | 179.6 | -166 | -6.4 | 112.5 | E125 W126 T127 G134 | E125-R130 WeakPolarHBondContact O-CD 3.49Å; E125-R130 IonicContact OE1-CZ 3.71Å; E125-R130 IonicContact OE1-NH1 3.13Å; E125-R130 PolarHBondContact OE1-NH1 3.1Å; E125-R130 VanDerWaalsContact OE1-NH1 3.13Å; E125-R130 IonicContact OE1-NH2 3.45Å; E125-R130 PolarHBondContact OE1-NH2 2.84Å; W126-R130 HydrophobicContact CE3-CG 4.1Å; W126-R130 HydrophobicContact CZ3-CG 4.13Å; T127-R130 PolarHBondContact O-N 3.39Å; T127-R130 WeakPolarHBondContact OG1-CB 3.26Å; T127-R130 PolarHBondContact OG1-N 3.04Å; R130-G134 PolarHBondContact O-N 3.26Å |
| 131 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68 | -39.8 | 171.5 | -71.9 | 168.4 | 0 | 0 | 0 | 111.7 | I115 L118 K119 W126 T127 E129 E133 F135 I142 | I115-L131 HydrophobicContact CG2-CD1 4.3Å; L118-L131 HydrophobicContact CB-CD2 4.19Å; L118-L131 HydrophobicContact CD1-CD2 4.09Å; K119-L131 HydrophobicContact CB-CD1 4.26Å; K119-L131 HydrophobicContact CD-CD1 4.21Å; W126-L131 HydrophobicContact CB-CD1 4.19Å; W126-L131 HydrophobicContact CB-CD2 4.14Å; W126-L131 HydrophobicContact CB-CG 4.04Å; W126-L131 HydrophobicContact CD2-CD2 4.17Å; W126-L131 HydrophobicContact CE3-CD2 3.67Å; W126-L131 HydrophobicContact CE3-CG 4.16Å; W126-L131 HydrophobicContact CG-CD2 4.37Å; W126-L131 HydrophobicContact CZ3-CD2 4.45Å; T127-L131 PolarHBondContact O-N 3.47Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.92Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-F135 HydrophobicContact CD2-CD2 4.45Å; L131-F135 HydrophobicContact CD2-CE2 4.03Å; L131-F135 VanDerWaalsContact O-CD2 3.29Å; L131-F135 WeakPolarHBondContact O-CD2 3.49Å; L131-F135 PolarHBondContact O-N 3.45Å; L131-F135 VanDerWaalsContact O-N 3.15Å; L131-I142 HydrophobicContact CB-CD1 4.2Å; L131-I142 HydrophobicContact CB-CG1 4.3Å; L131-I142 HydrophobicContact CB-CG2 4.01Å; L131-I142 HydrophobicContact CD1-CG2 4.09Å |
| 132 | A | 97.5 | Very high | 96 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I128 E129 S136 V137 Q139 I142 | I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.36Å; I128-A132 PolarHBondContact O-N 3.47Å; E129-A132 WeakPolarHBondContact O-CB 3.32Å; E129-A132 PolarHBondContact O-N 3.26Å; E129-A132 VanDerWaalsContact O-N 3.12Å; A132-S136 PolarHBondContact O-N 3.45Å; A132-V137 CarbonylContact C-O 3.55Å; A132-V137 VanDerWaalsContact CA-O 3.29Å; A132-V137 WeakPolarHBondContact CA-O 3.49Å; A132-V137 WeakPolarHBondContact CB-O 3.37Å; A132-V137 PolarHBondContact O-N 3.15Å; A132-V137 VanDerWaalsContact O-O 3.08Å; A132-Q139 HydrophobicContact CB-CB 4.49Å; A132-Q139 HydrophobicContact CB-CG 3.82Å; A132-I142 HydrophobicContact CB-CG1 4.15Å |
| 133 | E | 96.9 | Very high | 96.1 | Very high | 159 Ų | 159 | 69.8 Ų | 69.8 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.4 | -50.8 | 176.4 | -172.5 | 177.4 | -175.1 | 0 | 0 | 112.1 | E129 L131 F135 S136 | E129-E133 PolarHBondContact O-N 3.22Å; L131-E133 VanDerWaalsContact C-N 3.34Å; E133-F135 PolarHBondContact O-N 3.32Å; E133-F135 VanDerWaalsContact O-N 3.16Å; E133-S136 PolarHBondContact O-N 2.95Å; E133-S136 VanDerWaalsContact O-N 3.1Å |
| 134 | G | 96.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 72.9 Ų | 72.9 | 60% | 0.598 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.5 | -26.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R130 | R130-G134 PolarHBondContact O-N 3.26Å |
| 135 | F | 95.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 65 Ų | 65 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 7 | 178 | -69.7 | -86.4 | 0 | 0 | 0 | 113.6 | L107 A111 Q114 I115 L118 L131 E133 V137 | L107-F135 HydrophobicContact CD2-CB 3.99Å; L107-F135 HydrophobicContact CD2-CD1 4.31Å; A111-F135 HydrophobicContact CB-CD1 4.04Å; A111-F135 HydrophobicContact CB-CE1 3.91Å; Q114-F135 HydrophobicContact CB-CZ 4.13Å; I115-F135 HydrophobicContact CD1-CD1 4.17Å; I115-F135 HydrophobicContact CD1-CD2 3.98Å; I115-F135 HydrophobicContact CD1-CE1 4.39Å; I115-F135 HydrophobicContact CD1-CE2 4.22Å; I115-F135 HydrophobicContact CD1-CG 3.96Å; I115-F135 HydrophobicContact CD1-CZ 4.42Å; I115-F135 HydrophobicContact CG1-CD1 4.24Å; I115-F135 HydrophobicContact CG1-CD2 3.57Å; I115-F135 HydrophobicContact CG1-CE1 4.05Å; I115-F135 HydrophobicContact CG1-CE2 3.36Å; I115-F135 HydrophobicContact CG1-CG 4.02Å; I115-F135 HydrophobicContact CG1-CZ 3.62Å; L118-F135 HydrophobicContact CD1-CE2 4.17Å; L118-F135 HydrophobicContact CD1-CZ 4.31Å; L131-F135 HydrophobicContact CD2-CD2 4.45Å; L131-F135 HydrophobicContact CD2-CE2 4.03Å; L131-F135 VanDerWaalsContact O-CD2 3.29Å; L131-F135 WeakPolarHBondContact O-CD2 3.49Å; L131-F135 PolarHBondContact O-N 3.45Å; L131-F135 VanDerWaalsContact O-N 3.15Å; E133-F135 PolarHBondContact O-N 3.32Å; E133-F135 VanDerWaalsContact O-N 3.16Å; F135-V137 VanDerWaalsContact C-N 3.27Å; F135-V137 HydrophobicContact CB-CG2 3.93Å; F135-V137 PolarHBondContact O-N 3.5Å |
| 136 | S | 94.7 | Very high | 96.3 | Very high | 114 Ų | 114 | 63.1 Ų | 63.1 | 80% | 0.797 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.7 | -178.1 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | A132 E133 | A132-S136 PolarHBondContact O-N 3.45Å; E133-S136 PolarHBondContact O-N 2.95Å; E133-S136 VanDerWaalsContact O-N 3.1Å |
| 137 | V | 95.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | trans | -129.8 | 151.6 | 180 | -71.7 | 0 | 0 | 0 | 0 | 111.3 | K106 L107 A132 F135 V141 I142 | K106-V137 HydrophobicContact CB-CG1 3.88Å; K106-V137 HydrophobicContact CD-CG1 4.18Å; L107-V137 HydrophobicContact CD1-CG1 4.46Å; L107-V137 HydrophobicContact CD1-CG2 4.41Å; L107-V137 HydrophobicContact CD2-CG1 3.67Å; L107-V137 HydrophobicContact CD2-CG2 4.31Å; L107-V137 HydrophobicContact CG-CG1 3.94Å; A132-V137 CarbonylContact C-O 3.55Å; A132-V137 VanDerWaalsContact CA-O 3.29Å; A132-V137 WeakPolarHBondContact CA-O 3.49Å; A132-V137 WeakPolarHBondContact CB-O 3.37Å; A132-V137 PolarHBondContact O-N 3.15Å; A132-V137 VanDerWaalsContact O-O 3.08Å; F135-V137 VanDerWaalsContact C-N 3.27Å; F135-V137 HydrophobicContact CB-CG2 3.93Å; F135-V137 PolarHBondContact O-N 3.5Å; V137-V141 HydrophobicContact CB-CB 4.41Å; V137-V141 HydrophobicContact CB-CG1 4.43Å; V137-I142 HydrophobicContact CG2-CD1 3.53Å; V137-I142 HydrophobicContact CG2-CG1 3.97Å | ||
| 138 | P | 95.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | trans | -65.9 | 151.8 | 175.3 | 28.1 | -35.6 | 0 | 0 | 0 | 111.8 | D140 V141 | P138-D140 WeakPolarHBondContact CB-OD1 3.45Å; P138-D140 WeakPolarHBondContact CG-OD1 3.29Å; P138-D140 PolarHBondContact O-N 2.82Å; P138-V141 HydrophobicContact CG-CB 4.47Å; P138-V141 HydrophobicContact CG-CG2 3.81Å; P138-V141 WeakPolarHBondContact O-CB 3.43Å; P138-V141 PolarHBondContact O-N 3.1Å | ||
| 139 | Q | 97.2 | Very high | 95.9 | Very high | 91 Ų | 91 | 73.1 Ų | 73.1 | 43% | 0.425 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.1 | -32.9 | -176.5 | -62.1 | -177 | 16.7 | 0 | 0 | 113 | I128 A132 V141 I142 L143 | I128-Q139 HydrophobicContact CG2-CB 3.9Å; I128-Q139 HydrophobicContact CG2-CG 4.29Å; A132-Q139 HydrophobicContact CB-CB 4.49Å; A132-Q139 HydrophobicContact CB-CG 3.82Å; Q139-V141 VanDerWaalsContact C-N 3.25Å; Q139-V141 PolarHBondContact O-N 3.18Å; Q139-I142 WeakPolarHBondContact O-CB 3.46Å; Q139-I142 PolarHBondContact O-N 3.48Å; Q139-I142 VanDerWaalsContact O-N 3.14Å; Q139-L143 PolarHBondContact O-N 3.28Å |
| 140 | D | 96 | Very high | 95.7 | Very high | 75 Ų | 75 | 72.5 Ų | 72.5 | 40% | 0.401 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 178.3 | 80.5 | -56.3 | 0 | 0 | 0 | 112.5 | P138 R144 | P138-D140 WeakPolarHBondContact CB-OD1 3.45Å; P138-D140 WeakPolarHBondContact CG-OD1 3.29Å; P138-D140 PolarHBondContact O-N 2.82Å; D140-R144 VanDerWaalsContact O-CB 3.3Å; D140-R144 WeakPolarHBondContact O-CB 3.3Å; D140-R144 PolarHBondContact O-N 3.44Å; D140-R144 IonicContact OD2-NH2 2.89Å; D140-R144 PolarHBondContact OD2-NH2 3.02Å |
| 141 | V | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 71.3 Ų | 71.3 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70 | -42.4 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 110 | L107 V137 P138 Q139 R144 V145 | L107-V141 HydrophobicContact CD1-CG1 3.88Å; V137-V141 HydrophobicContact CB-CB 4.41Å; V137-V141 HydrophobicContact CB-CG1 4.43Å; P138-V141 HydrophobicContact CG-CB 4.47Å; P138-V141 HydrophobicContact CG-CG2 3.81Å; P138-V141 WeakPolarHBondContact O-CB 3.43Å; P138-V141 PolarHBondContact O-N 3.1Å; Q139-V141 VanDerWaalsContact C-N 3.25Å; Q139-V141 PolarHBondContact O-N 3.18Å; V141-R144 WeakPolarHBondContact O-CB 3.4Å; V141-R144 PolarHBondContact O-N 3.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.43Å; V141-V145 PolarHBondContact O-N 2.8Å |
| 142 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 176.2 | -59.7 | -58.9 | 0 | 0 | 0 | 110.4 | I115 I128 L131 A132 V137 Q139 R144 V145 L146 | I115-I142 HydrophobicContact CD1-CD1 3.66Å; I115-I142 HydrophobicContact CG1-CD1 4.28Å; I115-I142 HydrophobicContact CG2-CD1 4.35Å; I115-I142 HydrophobicContact CG2-CG2 4.33Å; I128-I142 HydrophobicContact CG2-CB 4.22Å; I128-I142 HydrophobicContact CG2-CG2 4.12Å; L131-I142 HydrophobicContact CB-CD1 4.2Å; L131-I142 HydrophobicContact CB-CG1 4.3Å; L131-I142 HydrophobicContact CB-CG2 4.01Å; L131-I142 HydrophobicContact CD1-CG2 4.09Å; A132-I142 HydrophobicContact CB-CG1 4.15Å; V137-I142 HydrophobicContact CG2-CD1 3.53Å; V137-I142 HydrophobicContact CG2-CG1 3.97Å; Q139-I142 WeakPolarHBondContact O-CB 3.46Å; Q139-I142 PolarHBondContact O-N 3.48Å; Q139-I142 VanDerWaalsContact O-N 3.14Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 2.87Å; I142-V145 WeakPolarHBondContact O-CB 3.48Å; I142-V145 PolarHBondContact O-N 3.46Å; I142-V145 VanDerWaalsContact O-N 3.09Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 3.07Å |
| 143 | L | 96.4 | Very high | 95.1 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 38% | 0.377 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.2 | -44.2 | 175.3 | -73.6 | 174 | 0 | 0 | 0 | 111.7 | I128 Q139 V145 L146 N147 | I128-L143 HydrophobicContact CD1-CD2 3.56Å; I128-L143 HydrophobicContact CD1-CG 4.46Å; I128-L143 HydrophobicContact CG1-CD2 4.15Å; I128-L143 HydrophobicContact CG2-CD2 4.37Å; I128-L143 HydrophobicContact CG2-CG 4.17Å; Q139-L143 PolarHBondContact O-N 3.28Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.87Å; L143-L146 PolarHBondContact O-N 3.28Å; L143-N147 VanDerWaalsContact O-CB 3.31Å; L143-N147 WeakPolarHBondContact O-CB 3.38Å; L143-N147 PolarHBondContact O-N 3.27Å; L143-N147 PolarHBondContact O-ND2 3.42Å |
| 144 | R | 95.6 | Very high | 95.1 | Very high | 140 Ų | 140 | 71.9 Ų | 71.9 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 178.6 | -159.1 | -177.7 | -48.2 | -152.4 | 5.9 | 112.7 | D140 V141 I142 S148 | D140-R144 VanDerWaalsContact O-CB 3.3Å; D140-R144 WeakPolarHBondContact O-CB 3.3Å; D140-R144 PolarHBondContact O-N 3.44Å; D140-R144 IonicContact OD2-NH2 2.89Å; D140-R144 PolarHBondContact OD2-NH2 3.02Å; V141-R144 WeakPolarHBondContact O-CB 3.4Å; V141-R144 PolarHBondContact O-N 3.31Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 2.87Å; R144-S148 WeakPolarHBondContact O-CB 3.37Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 VanDerWaalsContact O-N 3.08Å |
| 145 | V | 95.8 | Very high | 95.1 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 175.8 | 161.3 | 0 | 0 | 0 | 0 | 111.2 | L107 I112 I115 R116 V141 I142 L143 S148 | L107-V145 HydrophobicContact CD1-CG2 4.2Å; I112-V145 HydrophobicContact CB-CG1 4.49Å; I112-V145 HydrophobicContact CD1-CG2 4.13Å; I112-V145 HydrophobicContact CG1-CG2 4Å; I112-V145 HydrophobicContact CG2-CG1 3.87Å; I115-V145 HydrophobicContact CB-CG1 4.3Å; I115-V145 HydrophobicContact CG2-CG1 3.9Å; R116-V145 HydrophobicContact CG-CG1 4.21Å; V141-V145 WeakPolarHBondContact O-CG2 3.43Å; V141-V145 PolarHBondContact O-N 2.8Å; I142-V145 WeakPolarHBondContact O-CB 3.48Å; I142-V145 PolarHBondContact O-N 3.46Å; I142-V145 VanDerWaalsContact O-N 3.09Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.87Å; V145-S148 PolarHBondContact O-N 3.13Å |
| 146 | L | 95.3 | Very high | 95 | Very high | 51 Ų | 51 | 77.8 Ų | 77.8 | 27% | 0.267 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | -178.8 | -65.2 | 174.6 | 0 | 0 | 0 | 112 | I115 K119 I142 L143 | I115-L146 HydrophobicContact CG2-CD2 4.14Å; K119-L146 HydrophobicContact CB-CD1 4.46Å; K119-L146 HydrophobicContact CB-CD2 3.73Å; K119-L146 HydrophobicContact CD-CD1 4.39Å; K119-L146 HydrophobicContact CG-CD1 3.86Å; K119-L146 HydrophobicContact CG-CD2 3.86Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 3.07Å; L143-L146 PolarHBondContact O-N 3.28Å |
| 147 | N | 96.3 | Very high | 95.1 | Very high | 130 Ų | 130 | 74.6 Ų | 74.6 | 70% | 0.695 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -74.1 | -28 | 177.8 | -69.8 | -17.5 | 0 | 0 | 0 | 113 | L143 | L143-N147 VanDerWaalsContact O-CB 3.31Å; L143-N147 WeakPolarHBondContact O-CB 3.38Å; L143-N147 PolarHBondContact O-N 3.27Å; L143-N147 PolarHBondContact O-ND2 3.42Å |
| 148 | S | 93.8 | Very high | 95.1 | Very high | 50 Ų | 50 | 79 Ų | 79 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | trans | -84.7 | 125.8 | -177.4 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | R116 R144 V145 F150 | R116-S148 PolarHBondContact NH2-O 3.15Å; R144-S148 WeakPolarHBondContact O-CB 3.37Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 VanDerWaalsContact O-N 3.08Å; V145-S148 PolarHBondContact O-N 3.13Å; S148-F150 WeakPolarHBondContact OG-CB 3.48Å; S148-F150 PolarHBondContact OG-N 2.91Å | ||
| 149 | K | 92.4 | Very high | 95.1 | Very high | 197 Ų | 197 | 83.1 Ų | 83.1 | 86% | 0.857 | 42% | 0.421 | S | S | * | . | trans | -95.3 | 8.1 | 170.7 | -60.2 | -177.9 | -179.4 | -179.8 | 0 | 113.4 | T151 | K149-T151 PolarHBondContact O-N 3.41Š| ||
| 150 | F | 91.8 | Very high | 95 | Very high | 109 Ų | 109 | 81.2 Ų | 81.2 | 48% | 0.478 | 41% | 0.412 | S | S | . | . | trans | -67.7 | 135.1 | -176.3 | 176.9 | -107 | 0 | 0 | 0 | 111.1 | W109 R116 S148 P152 | W109-F150 VanDerWaalsContact CH2-O 3.26Å; W109-F150 WeakPolarHBondContact CH2-O 3.28Å; R116-F150 PolarHBondContact NH2-O 3.11Å; S148-F150 WeakPolarHBondContact OG-CB 3.48Å; S148-F150 PolarHBondContact OG-N 2.91Å; F150-P152 HydrophobicContact CE1-CB 3.65Å; F150-P152 HydrophobicContact CE1-CG 3.94Å; F150-P152 HydrophobicContact CZ-CB 3.87Å | ||
| 151 | T | 92.2 | Very high | 95 | Very high | 85 Ų | 85 | 79.1 Ų | 79.1 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | trans | -130.2 | 107.4 | 175.1 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | W109 K149 | W109-T151 HydrophobicContact CZ2-CG2 3.98Å; K149-T151 PolarHBondContact O-N 3.41Å | ||
| 152 | P | 91.4 | Very high | 95 | Very high | 8 Ų | 8 | 80.1 Ų | 80.1 | 5% | 0.052 | 41% | 0.413 | C | S | . | . | trans | -72.2 | 162.4 | -179.2 | 25.6 | -27.9 | 0 | 0 | 0 | 112.3 | W109 F150 R156 K157 | W109-P152 HydrophobicContact CD2-CG 4.39Å; W109-P152 HydrophobicContact CE3-CG 3.86Å; W109-P152 HydrophobicContact CH2-CG 4.33Å; W109-P152 HydrophobicContact CZ3-CG 3.85Å; F150-P152 HydrophobicContact CE1-CB 3.65Å; F150-P152 HydrophobicContact CE1-CG 3.94Å; F150-P152 HydrophobicContact CZ-CB 3.87Å; P152-R156 HydrophobicContact CB-CB 4.29Å; P152-R156 HydrophobicContact CB-CG 4.22Å; P152-K157 HydrophobicContact CB-CG 4.47Å; P152-K157 HydrophobicContact CG-CG 3.78Å; P152-K157 VanDerWaalsContact O-CE 3.23Å; P152-K157 WeakPolarHBondContact O-CE 3.48Å | ||
| 153 | S | 96.2 | Very high | 94.8 | Very high | 69 Ų | 69 | 86.5 Ų | 86.5 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | trans | -62.2 | 151.9 | 172.9 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | N155 R156 K157 | S153-N155 PolarHBondContact O-N 2.96Å; S153-R156 WeakPolarHBondContact O-CA 3.22Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 3.01Å; S153-R156 WeakPolarHBondContact OG-CB 3.29Å; S153-K157 PolarHBondContact O-N 3.43Å | ||
| 154 | P | 95.7 | Very high | 94.8 | Very high | 103 Ų | 103 | 83.2 Ų | 83.2 | 67% | 0.669 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | -173.6 | 20.5 | -32.4 | 0 | 0 | 0 | 113.4 | R156 K157 V158 | P154-R156 PolarHBondContact O-N 3.49Å; P154-K157 WeakPolarHBondContact O-CB 3.17Å; P154-K157 PolarHBondContact O-N 3.35Å; P154-V158 PolarHBondContact O-N 3.49Å |
| 155 | N | 96.3 | Very high | 94.6 | Very high | 101 Ų | 101 | 81.8 Ų | 81.8 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 175.7 | -167.7 | -81.4 | 0 | 0 | 0 | 111.9 | S153 K159 | S153-N155 PolarHBondContact O-N 2.96Å; N155-K159 WeakPolarHBondContact O-CG 3.24Å; N155-K159 PolarHBondContact O-N 3.37Å; N155-K159 WeakPolarHBondContact OD1-CE 3.3Å; N155-K159 PolarHBondContact OD1-NZ 3.11Å |
| 156 | R | 95 | Very high | 94.5 | Very high | 126 Ų | 126 | 84.8 Ų | 84.8 | 48% | 0.475 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.9 | -36.9 | 178 | -173.2 | 174.4 | 178.5 | -179.2 | 1.8 | 111.8 | P152 S153 P154 K159 Q160 | P152-R156 HydrophobicContact CB-CB 4.29Å; P152-R156 HydrophobicContact CB-CG 4.22Å; S153-R156 WeakPolarHBondContact O-CA 3.22Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 3.01Å; S153-R156 WeakPolarHBondContact OG-CB 3.29Å; P154-R156 PolarHBondContact O-N 3.49Å; R156-K159 PolarHBondContact O-N 3.09Å; R156-Q160 HydrophobicContact CG-CG 4.44Å; R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 VanDerWaalsContact O-CG 3.3Å; R156-Q160 WeakPolarHBondContact O-CG 3.41Å; R156-Q160 PolarHBondContact O-N 2.99Å |
| 157 | K | 95.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 85.7 Ų | 85.7 | 20% | 0.204 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -55.8 | -54.7 | 173.2 | -67.9 | 177.9 | 179.7 | -167.5 | 0 | 110.6 | W109 E113 P152 S153 P154 K159 Q160 D161 | W109-K157 HydrophobicContact CB-CB 4.47Å; W109-K157 HydrophobicContact CB-CG 4.42Å; W109-K157 HydrophobicContact CD2-CD 4.11Å; W109-K157 HydrophobicContact CD2-CG 4.12Å; W109-K157 VanDerWaalsContact CE2-CE 3.45Å; W109-K157 HydrophobicContact CG-CB 4.44Å; W109-K157 HydrophobicContact CG-CD 3.78Å; W109-K157 HydrophobicContact CG-CG 3.91Å; E113-K157 IonicContact OE1-NZ 2.73Å; P152-K157 HydrophobicContact CB-CG 4.47Å; P152-K157 HydrophobicContact CG-CG 3.78Å; P152-K157 VanDerWaalsContact O-CE 3.23Å; P152-K157 WeakPolarHBondContact O-CE 3.48Å; S153-K157 PolarHBondContact O-N 3.43Å; P154-K157 WeakPolarHBondContact O-CB 3.17Å; P154-K157 PolarHBondContact O-N 3.35Å; K157-K159 VanDerWaalsContact C-N 3.34Å; K157-K159 PolarHBondContact O-N 3.12Å; K157-Q160 PolarHBondContact O-N 3.49Å; K157-Q160 VanDerWaalsContact O-N 3.08Å; K157-D161 PolarHBondContact O-N 3.33Å |
| 158 | V | 96.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 83.3 Ų | 83.3 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -57 | -45.4 | -178.6 | 177.4 | 0 | 0 | 0 | 0 | 112 | P154 Q160 D161 A162 | P154-V158 PolarHBondContact O-N 3.49Å; V158-Q160 PolarHBondContact O-N 3.01Å; V158-D161 PolarHBondContact O-N 3.5Å; V158-A162 VanDerWaalsContact O-CB 3.29Å; V158-A162 WeakPolarHBondContact O-CB 3.34Å; V158-A162 PolarHBondContact O-N 3.27Å |
| 159 | K | 95.7 | Very high | 93.5 | Very high | 142 Ų | 142 | 84.2 Ų | 84.2 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 177.9 | -73.7 | 175.4 | 175.7 | 166.9 | 0 | 112.8 | N155 R156 K157 K163 | N155-K159 WeakPolarHBondContact O-CG 3.24Å; N155-K159 PolarHBondContact O-N 3.37Å; N155-K159 WeakPolarHBondContact OD1-CE 3.3Å; N155-K159 PolarHBondContact OD1-NZ 3.11Å; R156-K159 PolarHBondContact O-N 3.09Å; K157-K159 VanDerWaalsContact C-N 3.34Å; K157-K159 PolarHBondContact O-N 3.12Å; K159-K163 PolarHBondContact O-N 2.75Å |
| 160 | Q | 94.3 | Very high | 93.2 | Very high | 50 Ų | 50 | 81 Ų | 81 | 23% | 0.234 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 179.4 | -74.6 | -179.4 | -17.3 | 0 | 0 | 111.2 | R156 K157 V158 K163 V164 | R156-Q160 HydrophobicContact CG-CG 4.44Å; R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 VanDerWaalsContact O-CG 3.3Å; R156-Q160 WeakPolarHBondContact O-CG 3.41Å; R156-Q160 PolarHBondContact O-N 2.99Å; K157-Q160 PolarHBondContact O-N 3.49Å; K157-Q160 VanDerWaalsContact O-N 3.08Å; V158-Q160 PolarHBondContact O-N 3.01Å; Q160-K163 WeakPolarHBondContact O-CB 3.47Å; Q160-K163 PolarHBondContact O-N 3.24Å; Q160-V164 WeakPolarHBondContact O-CG2 3.47Å; Q160-V164 PolarHBondContact O-N 3.49Å |
| 161 | D | 96.1 | Very high | 92.5 | Very high | 32 Ų | 32 | 83.2 Ų | 83.2 | 17% | 0.171 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.8 | -41.2 | -179.9 | -70.2 | -9.4 | 0 | 0 | 0 | 111.3 | R105 T108 W109 K157 V158 K163 V164 M165 | R105-D161 IonicContact NH2-OD1 3.83Å; T108-D161 VanDerWaalsContact CA-OD1 3.28Å; T108-D161 WeakPolarHBondContact CA-OD1 3.32Å; T108-D161 HydrophobicContact CG2-CB 4.41Å; W109-D161 VanDerWaalsContact CB-OD2 3.24Å; W109-D161 WeakPolarHBondContact CB-OD2 3.47Å; W109-D161 VanDerWaalsContact N-CG 3.3Å; W109-D161 PolarHBondContact N-OD1 3.08Å; W109-D161 PolarHBondContact N-OD2 3.49Å; K157-D161 PolarHBondContact O-N 3.33Å; V158-D161 PolarHBondContact O-N 3.5Å; D161-K163 VanDerWaalsContact C-N 3.26Å; D161-K163 PolarHBondContact O-N 2.88Å; D161-V164 WeakPolarHBondContact O-CB 3.38Å; D161-V164 PolarHBondContact O-N 2.96Å; D161-M165 WeakPolarHBondContact O-CG 3.09Å; D161-M165 PolarHBondContact O-N 3.3Å |
| 162 | A | 95.6 | Very high | 91.6 | Very high | 53 Ų | 53 | 83 Ų | 83 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.7 | -42 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V158 V164 M165 V166 | V158-A162 VanDerWaalsContact O-CB 3.29Å; V158-A162 WeakPolarHBondContact O-CB 3.34Å; V158-A162 PolarHBondContact O-N 3.27Å; A162-V164 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 2.86Å; A162-M165 PolarHBondContact O-N 2.73Å; A162-V166 WeakPolarHBondContact O-CB 3.22Å; A162-V166 VanDerWaalsContact O-CG2 3.26Å; A162-V166 WeakPolarHBondContact O-CG2 3.2Å; A162-V166 PolarHBondContact O-N 2.95Å |
| 163 | K | 94 | Very high | 90.1 | Very high | 133 Ų | 133 | 88.6 Ų | 88.6 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.5 | -35.1 | 176.6 | -173.8 | 173.4 | -177 | 174.4 | 0 | 112.8 | K159 Q160 D161 R167 | K159-K163 PolarHBondContact O-N 2.75Å; Q160-K163 WeakPolarHBondContact O-CB 3.47Å; Q160-K163 PolarHBondContact O-N 3.24Å; D161-K163 VanDerWaalsContact C-N 3.26Å; D161-K163 PolarHBondContact O-N 2.88Å; K163-R167 WeakPolarHBondContact O-CG 3.46Å; K163-R167 PolarHBondContact O-N 2.98Å |
| 164 | V | 94.8 | Very high | 88 | Confident | 4 Ų | 4 | 90 Ų | 90 | 2% | 0.024 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -69.7 | -48.5 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | R105 K106 T108 Q160 D161 A162 V166 R167 L168 | R105-V164 HydrophobicContact CB-CG2 4.12Å; R105-V164 HydrophobicContact CG-CG2 3.79Å; K106-V164 WeakPolarHBondContact O-CG1 3.41Å; T108-V164 HydrophobicContact CG2-CB 4.38Å; T108-V164 HydrophobicContact CG2-CG1 4Å; Q160-V164 WeakPolarHBondContact O-CG2 3.47Å; Q160-V164 PolarHBondContact O-N 3.49Å; D161-V164 WeakPolarHBondContact O-CB 3.38Å; D161-V164 PolarHBondContact O-N 2.96Å; A162-V164 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 2.86Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 3.42Å; V164-R167 WeakPolarHBondContact O-CB 3.28Å; V164-R167 PolarHBondContact O-N 2.8Å; V164-L168 HydrophobicContact CG1-CD1 3.82Å; V164-L168 HydrophobicContact CG1-CG 4.24Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 2.89Å |
| 165 | M | 93.1 | Very high | 86.1 | Confident | 109 Ų | 109 | 90.6 Ų | 90.6 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 179.9 | -67.3 | -55.9 | -68.7 | 0 | 0 | 112.5 | T108 D161 A162 R167 L168 S169 | T108-M165 HydrophobicContact CG2-CG 4.47Å; T108-M165 HydrophobicContact CG2-SD 4Å; D161-M165 WeakPolarHBondContact O-CG 3.09Å; D161-M165 PolarHBondContact O-N 3.3Å; A162-M165 PolarHBondContact O-N 2.73Å; M165-R167 PolarHBondContact O-N 2.66Å; M165-L168 PolarHBondContact O-N 3.44Å; M165-L168 HydrophobicContact SD-CD1 4.22Å; M165-S169 WeakPolarHBondContact O-CB 3.48Å; M165-S169 PolarHBondContact O-N 3.18Å; M165-S169 PolarHBondContact O-OG 3.21Å |
| 166 | V | 93.3 | Very high | 83.9 | Confident | 77 Ų | 77 | 92.7 Ų | 92.7 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -32.4 | 175.8 | 166.6 | 0 | 0 | 0 | 0 | 112.4 | A162 V164 S169 Q170 | A162-V166 WeakPolarHBondContact O-CB 3.22Å; A162-V166 VanDerWaalsContact O-CG2 3.26Å; A162-V166 WeakPolarHBondContact O-CG2 3.2Å; A162-V166 PolarHBondContact O-N 2.95Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 3.42Å; V166-S169 WeakPolarHBondContact CA-OG 3.42Å; V166-S169 PolarHBondContact O-OG 3.13Å; V166-Q170 VanDerWaalsContact O-CG 3.24Å; V166-Q170 WeakPolarHBondContact O-CG 3.42Å; V166-Q170 PolarHBondContact O-N 3.43Å; V166-Q170 PolarHBondContact O-NE2 2.88Å; V166-Q170 VanDerWaalsContact O-NE2 3.08Å |
| 167 | R | 89.2 | Confident | 81.9 | Confident | 69 Ų | 69 | 90.7 Ų | 90.7 | 26% | 0.26 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -80 | -39.7 | 177.7 | -73 | 173.4 | 166.4 | -153.3 | -14.2 | 112.2 | Q104 K163 V164 M165 S169 Q170 Q171 | Q104-R167 VanDerWaalsContact OE1-CZ 3.31Å; K163-R167 WeakPolarHBondContact O-CG 3.46Å; K163-R167 PolarHBondContact O-N 2.98Å; V164-R167 WeakPolarHBondContact O-CB 3.28Å; V164-R167 PolarHBondContact O-N 2.8Å; M165-R167 PolarHBondContact O-N 2.66Å; R167-S169 VanDerWaalsContact C-N 3.32Å; R167-Q170 PolarHBondContact O-N 3.37Å; R167-Q171 WeakPolarHBondContact O-CG 3.45Å; R167-Q171 PolarHBondContact O-N 2.99Å |
| 168 | L | 88.4 | Confident | 79.6 | Confident | 81 Ų | 81 | 99.8 Ų | 99.8 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.5 | -69.9 | 173.1 | 0 | 0 | 0 | 110.5 | V164 M165 Q170 Q171 A172 | V164-L168 HydrophobicContact CG1-CD1 3.82Å; V164-L168 HydrophobicContact CG1-CG 4.24Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 2.89Å; M165-L168 PolarHBondContact O-N 3.44Å; M165-L168 HydrophobicContact SD-CD1 4.22Å; L168-Q170 VanDerWaalsContact C-N 3.29Å; L168-Q170 PolarHBondContact O-N 2.87Å; L168-Q171 PolarHBondContact O-N 3.28Å; L168-A172 PolarHBondContact O-N 3.35Å |
| 169 | S | 86.6 | Confident | 77.3 | Confident | 68 Ų | 68 | 106.3 Ų | 106.3 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -33 | 176.1 | 65.9 | 0 | 0 | 0 | 0 | 113 | M165 V166 R167 | M165-S169 WeakPolarHBondContact O-CB 3.48Å; M165-S169 PolarHBondContact O-N 3.18Å; M165-S169 PolarHBondContact O-OG 3.21Å; V166-S169 WeakPolarHBondContact CA-OG 3.42Å; V166-S169 PolarHBondContact O-OG 3.13Å; R167-S169 VanDerWaalsContact C-N 3.32Å |
| 170 | Q | 84.8 | Confident | 74.9 | Confident | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -72.5 | -33.5 | 175 | -77.5 | 171.8 | 53.9 | 0 | 0 | 112.9 | V166 R167 L168 | V166-Q170 VanDerWaalsContact O-CG 3.24Å; V166-Q170 WeakPolarHBondContact O-CG 3.42Å; V166-Q170 PolarHBondContact O-N 3.43Å; V166-Q170 PolarHBondContact O-NE2 2.88Å; V166-Q170 VanDerWaalsContact O-NE2 3.08Å; R167-Q170 PolarHBondContact O-N 3.37Å; L168-Q170 VanDerWaalsContact C-N 3.29Å; L168-Q170 PolarHBondContact O-N 2.87Å |
| 171 | Q | 77.9 | Confident | 72.9 | Confident | 157 Ų | 157 | 113.2 Ų | 113.2 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.6 | -27.3 | 176.7 | -72.8 | 174.6 | 48.2 | 0 | 0 | 112.5 | R167 L168 L173 | R167-Q171 WeakPolarHBondContact O-CG 3.45Å; R167-Q171 PolarHBondContact O-N 2.99Å; L168-Q171 PolarHBondContact O-N 3.28Å; Q171-L173 VanDerWaalsContact C-N 3.33Å |
| 172 | A | 73.9 | Confident | 70.6 | Confident | 79 Ų | 79 | 118.7 Ų | 118.7 | 65% | 0.653 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -76.2 | -17.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | L168 | L168-A172 PolarHBondContact O-N 3.35Š|
| 173 | L | 60.3 | Low | 68.6 | Low | 127 Ų | 127 | 125.4 Ų | 125.4 | 67% | 0.665 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -103.7 | 121.3 | 176 | -66 | 176.3 | 0 | 0 | 0 | 109 | Q171 S175 | Q171-L173 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 2.82Å |
| 174 | P | 51.7 | Low | 66.2 | Low | 99 Ų | 99 | 127 Ų | 127 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | trans | -59.7 | 124.8 | 169.2 | 25.1 | -30 | 0 | 0 | 0 | 108.2 | D176 | P174-D176 PolarHBondContact O-N 2.98Š| ||
| 175 | S | 54.5 | Low | 63.8 | Low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 45.6 | -179.7 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | L173 | L173-S175 PolarHBondContact O-N 2.82Š|
| 176 | D | 50.2 | Low | 61.6 | Low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -5.1 | -176.2 | -67 | -31.2 | 0 | 0 | 0 | 113.5 | P174 | P174-D176 PolarHBondContact O-N 2.98Š|
| 177 | S | 53.4 | Low | 59.4 | Low | 84 Ų | 84 | 141.1 Ų | 141.1 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -89.7 | -11.9 | -175.4 | 55.6 | 0 | 0 | 0 | 0 | 115.8 | R179 | S177-R179 VanDerWaalsContact C-N 3.3Å; S177-R179 PolarHBondContact O-N 3.42Å |
| 178 | R | 47.9 | Very low | 57.4 | Low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 1.1 | -169.8 | -171.9 | 168.9 | -76.8 | -118.8 | -0.5 | 115.6 | ||
| 179 | R | 46.8 | Very low | 55.3 | Low | 242 Ų | 242 | 147.2 Ų | 147.2 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 0.4 | -177.1 | -114.7 | -176.1 | -176.9 | -163.1 | 1.7 | 116.6 | S177 | S177-R179 VanDerWaalsContact C-N 3.3Å; S177-R179 PolarHBondContact O-N 3.42Å |
| 180 | Q | 46.8 | Very low | 53.7 | Low | 179 Ų | 179 | 151.7 Ų | 151.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -119.5 | 8.6 | -176 | -91 | -161.3 | -3.9 | 0 | 0 | 116.6 | N182 | Q180-N182 PolarHBondContact O-N 3.36Š|
| 181 | E | 51.7 | Low | 51.9 | Low | 158 Ų | 158 | 151.7 Ų | 151.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -79.9 | 1.5 | -178.5 | -54.4 | -167.4 | -149.8 | 0 | 0 | 114 | ||||
| 182 | N | 48.5 | Very low | 50.8 | Low | 147 Ų | 147 | 149.7 Ų | 149.7 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -102.1 | 41.5 | -175.2 | -53.2 | -7.7 | 0 | 0 | 0 | 113.1 | Q180 | Q180-N182 PolarHBondContact O-N 3.36Š|
| 183 | K | 52.1 | Low | 49.2 | Very low | 194 Ų | 194 | 150.6 Ų | 150.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -161.8 | 19 | 170.6 | -117.1 | 171.9 | -164.3 | -165.6 | 0 | 119.2 | ||
| 184 | L | 43.8 | Very low | 48.2 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -111.4 | 78 | 170.3 | -63 | 177.3 | 0 | 0 | 0 | 110.6 | L186 | L184-L186 PolarHBondContact O-N 2.83Š| ||
| 185 | K | 45.2 | Very low | 48.2 | Very low | 209 Ų | 209 | 153.4 Ų | 153.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -71.1 | 102.9 | 160.5 | -82.7 | -179.4 | 173.8 | -176.8 | 0 | 107.9 | ||||
| 186 | L | 46.5 | Very low | 47.8 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 135.6 | 163.1 | -77.9 | 161 | 0 | 0 | 0 | 109.1 | L184 Q188 | L184-L186 PolarHBondContact O-N 2.83Å; L186-Q188 PolarHBondContact O-N 3.35Å | ||
| 187 | P | 47.1 | Very low | 47.8 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -70.4 | 125.1 | 176.2 | 27 | -31.2 | 0 | 0 | 0 | 111 | S189 | P187-S189 PolarHBondContact O-N 3.41Å; P187-S189 VanDerWaalsContact O-N 3.14Å | ||
| 188 | Q | 48 | Very low | 46.9 | Very low | 172 Ų | 172 | 153.5 Ų | 153.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -53.4 | 102.2 | 164.8 | -179.4 | -179 | 11.4 | 0 | 0 | 110.7 | L186 | L186-Q188 PolarHBondContact O-N 3.35Š| ||
| 189 | S | 44.4 | Very low | 46.9 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -108.8 | 113.5 | 161.5 | 62.3 | 0 | 0 | 0 | 0 | 109.2 | P187 | P187-S189 PolarHBondContact O-N 3.41Å; P187-S189 VanDerWaalsContact O-N 3.14Å | ||
| 190 | Q | 51.5 | Low | 46.5 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -74.1 | 125.6 | 175.7 | -56.6 | 179.1 | 16.9 | 0 | 0 | 109.3 | ||||
| 191 | T | 48.4 | Very low | 46.4 | Very low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 110.2 | 156.1 | -3.1 | 0 | 0 | 0 | 0 | 107.3 | A193 | T191-A193 PolarHBondContact O-N 3.11Š| ||
| 192 | P | 53.3 | Low | 45.9 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -77.2 | 113.7 | 173.6 | 28.6 | -29.6 | 0 | 0 | 0 | 109.2 | T194 | P192-T194 PolarHBondContact O-N 2.84Å; P192-T194 VanDerWaalsContact O-N 3.11Å | ||
| 193 | A | 40.8 | Very low | 45.2 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -72 | 97.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T191 L195 | T191-A193 PolarHBondContact O-N 3.11Å; A193-L195 PolarHBondContact O-N 3.41Å | ||
| 194 | T | 40.6 | Very low | 44.6 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 103.8 | 173 | -38.6 | 0 | 0 | 0 | 0 | 108.6 | P192 | P192-T194 PolarHBondContact O-N 2.84Å; P192-T194 VanDerWaalsContact O-N 3.11Å | ||
| 195 | L | 49.9 | Very low | 44.6 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -90.7 | 117 | 165.8 | -67.4 | -179.4 | 0 | 0 | 0 | 109.2 | A193 | A193-L195 PolarHBondContact O-N 3.41Š| ||
| 196 | I | 47.1 | Very low | 44.3 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 133.9 | 176.3 | -61.3 | 168.1 | 0 | 0 | 0 | 109 | ||||
| 197 | P | 50.8 | Low | 43.8 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -89.1 | 108.5 | 165.6 | 29.9 | -22 | 0 | 0 | 0 | 109.6 | ||||
| 198 | G | 33.5 | Very low | 43.4 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -113.9 | 109.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 199 | Q | 47.5 | Very low | 43.2 | Very low | 179 Ų | 179 | 124.9 Ų | 124.9 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -67.3 | 144.5 | 162.6 | -61.5 | 179.8 | -10.9 | 0 | 0 | 110.6 | ||||
| 200 | T | 40 | Very low | 43.5 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 156.1 | 121.2 | 120.3 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 201 | E | 44.5 | Very low | 42.8 | Very low | 187 Ų | 187 | 121.8 Ų | 121.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | 49.2 | 119.4 | 127.1 | -49.3 | -171.7 | -150.9 | 0 | 0 | 121.9 | |||||
| 202 | G | 40.8 | Very low | 42.5 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | 98.7 | 109.3 | 126.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 203 | A | 32.8 | Very low | 41.9 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 164.9 | 105.3 | 130.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 204 | L | 39.7 | Very low | 42.1 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | 64.9 | 126.7 | 106.3 | -61.2 | 172.2 | 0 | 0 | 0 | 112.5 | |||||
| 205 | I | 44.3 | Very low | 42.1 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | cis | -167 | 148.2 | 36.9 | -0.7 | 176 | 0 | 0 | 0 | 111.6 | ||||
| 206 | S | 38.5 | Very low | 41.4 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -18.5 | 150 | 163.7 | -53.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 207 | A | 36.3 | Very low | 41.1 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | -178 | 125.9 | 99.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 208 | T | 38.4 | Very low | 40.3 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 78.5 | 89 | 140.9 | -48.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 209 | A | 43.2 | Very low | 40.8 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 31.5 | 161.4 | 117.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 210 | P | 50.6 | Low | 40.3 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -139.1 | 162.5 | -33.5 | 35.6 | -17.1 | 0 | 0 | 0 | 115.6 | ||||
| 211 | A | 36.9 | Very low | 40.2 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 32.9 | 130.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 212 | Q | 42.8 | Very low | 39.8 | Very low | 190 Ų | 190 | 125.2 Ų | 125.2 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -160.1 | 136.3 | 108.9 | -105.8 | 174.1 | 79.5 | 0 | 0 | 113.8 | |||||
| 213 | V | 41.4 | Very low | 39.8 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -87.6 | 134.8 | 175.5 | 167.8 | 0 | 0 | 0 | 0 | 108.1 | Q215 | V213-Q215 HydrophobicContact CG1-CG 4.42Š| ||
| 214 | I | 43.9 | Very low | 40.2 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -132.1 | 100.9 | 157.5 | -60.6 | -179.3 | 0 | 0 | 0 | 108.7 | ||||
| 215 | Q | 41.3 | Very low | 40 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -74.4 | 140.3 | 153 | -69.1 | 178.6 | 6.5 | 0 | 0 | 108.3 | V213 | V213-Q215 HydrophobicContact CG1-CG 4.42Š| ||
| 216 | S | 36.2 | Very low | 40.2 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 131.4 | 155.2 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 217 | K | 39.1 | Very low | 40.5 | Very low | 198 Ų | 198 | 129 Ų | 129 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -84.9 | 163.3 | 178.2 | -77 | 174.7 | 172.8 | 175.2 | 0 | 109.8 | ||||
| 218 | G | 35.6 | Very low | 40.7 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -60.4 | 168.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 219 | S | 42.4 | Very low | 40.7 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -149.7 | 119.3 | 151.4 | -80.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 220 | A | 38.1 | Very low | 40.5 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -66.1 | 139.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 221 | S | 38.1 | Very low | 40.2 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -141 | 120.8 | 160.5 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 222 | L | 36.1 | Very low | 40.1 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -83.8 | 131.9 | 176.3 | -67 | 160.4 | 0 | 0 | 0 | 108.5 | ||||
| 223 | V | 40.3 | Very low | 39.6 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -134.8 | 128 | 159 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | V225 | V223-V225 HydrophobicContact CG1-CG2 4.33Š| ||
| 224 | P | 41.2 | Very low | 39.2 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | -99.7 | 126.1 | 175.2 | 34.2 | -24.8 | 0 | 0 | 0 | 110.8 | ||||
| 225 | V | 36.4 | Very low | 38.8 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -140.9 | 132.2 | 164.2 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | V223 | V223-V225 HydrophobicContact CG1-CG2 4.33Š| ||
| 226 | Q | 47.5 | Very low | 38.8 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 162 | -167.5 | -68.6 | 174.1 | -11.9 | 0 | 0 | 114.6 | ||
| 227 | P | 44 | Very low | 38.8 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 147.4 | 176.7 | 32.6 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 228 | P | 41.6 | Very low | 38.6 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 141.1 | 171.9 | 31.3 | -29.2 | 0 | 0 | 0 | 111.8 | ||
| 229 | K | 38.2 | Very low | 38.4 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 146.8 | -173.6 | -67.5 | 162.8 | 175.3 | 169.3 | 0 | 112.7 | ||
| 230 | L | 38.4 | Very low | 37.9 | Very low | 171 Ų | 171 | 145 Ų | 145 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -57 | 148.7 | 157.4 | -64.4 | 166.4 | 0 | 0 | 0 | 111.2 | ||
| 231 | P | 44.7 | Very low | 37.7 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -111.1 | 126.1 | 143.7 | 31.8 | -25.6 | 0 | 0 | 0 | 111.3 | ||||
| 232 | A | 34 | Very low | 37.5 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -72.9 | 148.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 233 | G | 32.5 | Very low | 37.4 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 112.8 | 102.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 234 | T | 32.7 | Very low | 37.2 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | 173.7 | 118.9 | 98.6 | 33.7 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 235 | Y | 35.9 | Very low | 37.1 | Very low | 221 Ų | 221 | 143.5 Ų | 143.5 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -73.1 | 125.8 | 165.2 | 48.6 | -82.9 | 0 | 0 | 0 | 107.1 | ||||
| 236 | K | 41.7 | Very low | 37.1 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -123.5 | 103.9 | 158.7 | -75.2 | -149.1 | 175.6 | -172.5 | 0 | 108.2 | ||||
| 237 | E | 36.2 | Very low | 36.4 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -69.7 | 124 | 162.5 | -168.4 | 174.1 | -162 | 0 | 0 | 107.8 | ||||
| 238 | A | 35 | Very low | 36 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -137.6 | 89.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 239 | R | 32.2 | Very low | 35.6 | Very low | 231 Ų | 231 | 135.5 Ų | 135.5 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -69.6 | 139.2 | 151.9 | -175 | -178.8 | -174.6 | 167.3 | 1 | 106.8 | ||||
| 240 | V | 31.4 | Very low | 35.4 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.715 | 82% | 0.82 | S | S | * | * | trans | 162.3 | 121.8 | 133.8 | 156 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 241 | T | 32.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | 56.7 | 112.3 | 148.4 | 59.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 242 | G | 34.2 | Very low | 34.7 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | 30.9 | 120.6 | 112.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 243 | S | 34.7 | Very low | 35.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 113.2 | 146.5 | -167.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 244 | T | 36.3 | Very low | 35.7 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -61.3 | 140.6 | 155.7 | -68.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 245 | V | 38.8 | Very low | 36 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 169.3 | 117.3 | 151 | 154 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 246 | G | 35.6 | Very low | 36.7 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | cis | 103.6 | 105.6 | 45.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 247 | G | 34.1 | Very low | 37 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 141.8 | 85.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 248 | D | 34.1 | Very low | 37.7 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | 67.8 | 116.2 | 61.1 | -149.7 | 26.3 | 0 | 0 | 0 | 113.8 | |||||
| 249 | G | 34.8 | Very low | 37.8 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 86.7 | 89.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 250 | F | 32.6 | Very low | 38.7 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | -175.5 | 88.3 | 115.2 | -160.3 | -104 | 0 | 0 | 0 | 109 | T252 | F250-T252 WeakPolarHBondContact CE1-OG1 3.33Å; F250-T252 PolarHBondContact O-N 2.89Å | |||
| 251 | G | 34.2 | Very low | 40 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 109.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108 | E253 | G251-E253 PolarHBondContact O-N 2.94Š| ||
| 252 | T | 35 | Very low | 41 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 56% | 0.564 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 99.2 | 158.1 | -51 | 0 | 0 | 0 | 0 | 105.6 | F250 E254 | F250-T252 WeakPolarHBondContact CE1-OG1 3.33Å; F250-T252 PolarHBondContact O-N 2.89Å; T252-E254 VanDerWaalsContact C-N 3.27Å; T252-E254 HydrophobicContact CG2-CG 3.95Å; T252-E254 PolarHBondContact O-N 3.42Å; T252-E254 VanDerWaalsContact O-N 3.1Å | ||
| 253 | E | 42.8 | Very low | 43.2 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -71.6 | 92 | 162.1 | -69.1 | -177.9 | 171.3 | 0 | 0 | 106.4 | G251 | G251-E253 PolarHBondContact O-N 2.94Š| ||
| 254 | E | 44.2 | Very low | 44.8 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -88.1 | 103.7 | 154.6 | -80.5 | 173.7 | -162.1 | 0 | 0 | 105.4 | T252 E256 | T252-E254 VanDerWaalsContact C-N 3.27Å; T252-E254 HydrophobicContact CG2-CG 3.95Å; T252-E254 PolarHBondContact O-N 3.42Å; T252-E254 VanDerWaalsContact O-N 3.1Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 2.96Å | ||
| 255 | D | 40.3 | Very low | 46.6 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -57.8 | 90.6 | 171.2 | -69.5 | -50.1 | 0 | 0 | 0 | 109.2 | E257 | D255-E257 VanDerWaalsContact C-N 3.31Å; D255-E257 PolarHBondContact O-N 3.49Å; D255-E257 VanDerWaalsContact O-N 3.11Å | ||
| 256 | E | 49.6 | Very low | 48.4 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -72 | 93.2 | 158.7 | -78.3 | -175.5 | 165.4 | 0 | 0 | 106.9 | E254 E258 | E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 2.96Å; E256-E258 PolarHBondContact O-N 3.45Å | ||
| 257 | E | 48.8 | Very low | 50.1 | Low | 147 Ų | 147 | 142.3 Ų | 142.3 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -59.3 | 89.2 | 166.3 | -71.5 | -178.6 | 171.1 | 0 | 0 | 109 | D255 W259 | D255-E257 VanDerWaalsContact C-N 3.31Å; D255-E257 PolarHBondContact O-N 3.49Å; D255-E257 VanDerWaalsContact O-N 3.11Å; E257-W259 PolarHBondContact O-N 3.29Å | ||
| 258 | E | 49.3 | Very low | 51.8 | Low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -66.1 | 97.6 | 170.3 | -163.9 | 170.4 | -154.6 | 0 | 0 | 107.3 | E256 E260 | E256-E258 PolarHBondContact O-N 3.45Å; E258-E260 HydrophobicContact CG-CG 4.37Å; E258-E260 PolarHBondContact O-N 3.22Å | ||
| 259 | W | 38.2 | Very low | 54 | Low | 216 Ų | 216 | 137.9 Ų | 137.9 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -67.2 | 79 | 169.3 | -61.4 | 92.4 | 0 | 0 | 0 | 108.6 | E257 E261 | E257-W259 PolarHBondContact O-N 3.29Å; W259-E261 PolarHBondContact O-N 3.43Å | ||
| 260 | E | 51.4 | Low | 55.6 | Low | 156 Ų | 156 | 140.9 Ų | 140.9 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | trans | -62.7 | 94.9 | 158.6 | -67.7 | -166.4 | 162.5 | 0 | 0 | 106.4 | E258 S262 | E258-E260 HydrophobicContact CG-CG 4.37Å; E258-E260 PolarHBondContact O-N 3.22Å; E260-S262 PolarHBondContact O-N 2.86Å | ||
| 261 | E | 58.1 | Low | 57.7 | Low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | -62.7 | 77.7 | 163 | -83.6 | 172.7 | 169.8 | 0 | 0 | 108 | W259 W263 | W259-E261 PolarHBondContact O-N 3.43Å; E261-W263 PolarHBondContact O-N 2.87Å | ||
| 262 | S | 55 | Low | 59.9 | Low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -64.1 | 103.9 | 169.3 | 176.1 | 0 | 0 | 0 | 0 | 106.5 | E260 D264 | E260-S262 PolarHBondContact O-N 2.86Å; S262-D264 PolarHBondContact O-N 2.67Å | ||
| 263 | W | 78.6 | Confident | 62.2 | Low | 228 Ų | 228 | 138.7 Ų | 138.7 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | trans | -50.4 | 126.6 | 165.6 | -83.3 | 67.7 | 0 | 0 | 0 | 108.9 | E261 G265 | E261-W263 PolarHBondContact O-N 2.87Å; W263-G265 PolarHBondContact O-N 3.42Å; W263-G265 VanDerWaalsContact O-N 3.12Å | ||
| 264 | D | 69.8 | Low | 63.7 | Low | 125 Ų | 125 | 136 Ų | 136 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | trans | -67.6 | -7.1 | -177.4 | 61.6 | 0.4 | 0 | 0 | 0 | 113.6 | S262 Q266 | S262-D264 PolarHBondContact O-N 2.67Å; D264-Q266 PolarHBondContact O-N 3.41Å; D264-Q266 PolarHBondContact OD1-N 3.04Å; D264-Q266 VanDerWaalsContact OD1-N 3.08Å | ||
| 265 | G | 73.6 | Confident | 65.4 | Low | 58 Ų | 58 | 134.2 Ų | 134.2 | 60% | 0.598 | 66% | 0.662 | S | S | * | * | trans | 70.8 | 12.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | W263 V267 | W263-G265 PolarHBondContact O-N 3.42Å; W263-G265 VanDerWaalsContact O-N 3.12Å; G265-V267 PolarHBondContact O-N 3.16Å; G265-V267 VanDerWaalsContact O-N 3.11Å | ||
| 266 | Q | 75.6 | Confident | 67.1 | Low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -73.8 | 106.6 | 178.3 | -166.9 | 148.2 | -29.6 | 0 | 0 | 109.1 | D264 | D264-Q266 PolarHBondContact O-N 3.41Å; D264-Q266 PolarHBondContact OD1-N 3.04Å; D264-Q266 VanDerWaalsContact OD1-N 3.08Å | ||
| 267 | V | 73 | Confident | 68.2 | Low | 132 Ų | 132 | 127.6 Ų | 127.6 | 80% | 0.8 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 124.8 | 172.8 | -126.3 | 0 | 0 | 0 | 0 | 107.1 | G265 | G265-V267 PolarHBondContact O-N 3.16Å; G265-V267 VanDerWaalsContact O-N 3.11Å |
| 268 | L | 69.3 | Low | 69.3 | Low | 89 Ų | 89 | 125.4 Ų | 125.4 | 47% | 0.466 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 142.3 | 175.6 | -64.8 | 172.5 | 0 | 0 | 0 | 110.2 | E272 I276 | L268-E272 HydrophobicContact CB-CB 4.23Å; L268-E272 HydrophobicContact CD2-CB 4.21Å; L268-E272 WeakPolarHBondContact CD2-OE2 3.27Å; L268-I276 HydrophobicContact CD1-CD1 3.62Å |
| 269 | T | 79.8 | Confident | 70.2 | Confident | 66 Ų | 66 | 124.7 Ų | 124.7 | 41% | 0.405 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 155.5 | 169.7 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | E271 E272 L273 | T269-E271 PolarHBondContact O-N 3.23Å; T269-E271 VanDerWaalsContact O-N 3.15Å; T269-E272 PolarHBondContact N-OE2 2.86Å; T269-E272 PolarHBondContact O-N 3.32Å; T269-E272 VanDerWaalsContact O-N 3.13Å; T269-E272 WeakPolarHBondContact OG1-CG 3.41Å; T269-E272 PolarHBondContact OG1-N 3.1Å; T269-L273 PolarHBondContact O-N 3.14Å |
| 270 | E | 69.1 | Low | 71.6 | Confident | 132 Ų | 132 | 120.1 Ų | 120.1 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -55.7 | -32.1 | 176.2 | -172.3 | 71.3 | -158.2 | 0 | 0 | 111.1 | L273 E274 | E270-L273 PolarHBondContact O-N 3.14Å; E270-E274 WeakPolarHBondContact O-CB 3.19Å; E270-E274 WeakPolarHBondContact O-CG 3.48Å; E270-E274 PolarHBondContact O-N 3.06Å |
| 271 | E | 76.8 | Confident | 72.5 | Confident | 150 Ų | 150 | 119.5 Ų | 119.5 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.3 | -44.5 | 177.4 | -62.6 | 148.1 | -165.5 | 0 | 0 | 112.3 | T269 L273 E274 E275 | T269-E271 PolarHBondContact O-N 3.23Å; T269-E271 VanDerWaalsContact O-N 3.15Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.5Å; E271-E274 PolarHBondContact O-N 3.3Å; E271-E275 PolarHBondContact O-N 3.18Å |
| 272 | E | 80.4 | Confident | 73 | Confident | 80 Ų | 80 | 116.8 Ų | 116.8 | 37% | 0.374 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.9 | -33.9 | 174.3 | -75.9 | 173.2 | 160.1 | 0 | 0 | 111.6 | L268 T269 E275 I276 | L268-E272 HydrophobicContact CB-CB 4.23Å; L268-E272 HydrophobicContact CD2-CB 4.21Å; L268-E272 WeakPolarHBondContact CD2-OE2 3.27Å; T269-E272 PolarHBondContact N-OE2 2.86Å; T269-E272 PolarHBondContact O-N 3.32Å; T269-E272 VanDerWaalsContact O-N 3.13Å; T269-E272 WeakPolarHBondContact OG1-CG 3.41Å; T269-E272 PolarHBondContact OG1-N 3.1Å; E272-E275 PolarHBondContact O-N 2.92Å; E272-I276 WeakPolarHBondContact O-CD1 3.37Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 3.25Å; E272-I276 VanDerWaalsContact O-N 3.11Å |
| 273 | L | 81.6 | Confident | 73.7 | Confident | 76 Ų | 76 | 114.5 Ų | 114.5 | 40% | 0.398 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.7 | -40.6 | 176.6 | -170.5 | 67.3 | 0 | 0 | 0 | 111.9 | T269 E270 E271 L277 | T269-L273 PolarHBondContact O-N 3.14Å; E270-L273 PolarHBondContact O-N 3.14Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.5Å; L273-L277 HydrophobicContact CG-CD1 4.46Å; L273-L277 PolarHBondContact O-N 3.11Å; L273-L277 VanDerWaalsContact O-N 3.12Å |
| 274 | E | 76 | Confident | 73.7 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.5 | -40.8 | 173 | -78.7 | -176.8 | 174.6 | 0 | 0 | 111.4 | E270 E271 L277 D278 | E270-E274 WeakPolarHBondContact O-CB 3.19Å; E270-E274 WeakPolarHBondContact O-CG 3.48Å; E270-E274 PolarHBondContact O-N 3.06Å; E271-E274 PolarHBondContact O-N 3.3Å; E274-L277 PolarHBondContact O-N 3.31Å; E274-D278 WeakPolarHBondContact O-CB 3.35Å; E274-D278 PolarHBondContact O-N 2.88Å |
| 275 | E | 78.9 | Confident | 74.4 | Confident | 126 Ų | 126 | 106 Ų | 106 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.2 | -44.3 | 176.8 | -174.2 | 171.2 | -169.4 | 0 | 0 | 112.2 | E271 E272 L277 D278 M279 | E271-E275 PolarHBondContact O-N 3.18Å; E272-E275 PolarHBondContact O-N 2.92Å; E275-L277 PolarHBondContact O-N 2.85Å; E275-D278 PolarHBondContact O-N 3.39Å; E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 3.14Å |
| 276 | I | 76.6 | Confident | 75.1 | Confident | 75 Ų | 75 | 107 Ų | 107 | 39% | 0.385 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -42.2 | 177.4 | -66.7 | 163.1 | 0 | 0 | 0 | 111.2 | L268 E272 D278 M279 D280 | L268-I276 HydrophobicContact CD1-CD1 3.62Å; E272-I276 WeakPolarHBondContact O-CD1 3.37Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 3.25Å; E272-I276 VanDerWaalsContact O-N 3.11Å; I276-D278 VanDerWaalsContact C-N 3.25Å; I276-D278 PolarHBondContact O-N 2.93Å; I276-M279 PolarHBondContact O-N 3.38Å; I276-D280 PolarHBondContact O-N 3.41Å; I276-D280 VanDerWaalsContact O-N 3.09Å |
| 277 | L | 73.1 | Confident | 75.8 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 60% | 0.602 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.1 | -31.2 | 176.6 | -86.8 | 162 | 0 | 0 | 0 | 112.9 | L273 E274 E275 | L273-L277 HydrophobicContact CG-CD1 4.46Å; L273-L277 PolarHBondContact O-N 3.11Å; L273-L277 VanDerWaalsContact O-N 3.12Å; E274-L277 PolarHBondContact O-N 3.31Å; E275-L277 PolarHBondContact O-N 2.85Å |
| 278 | D | 71.9 | Confident | 76.4 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -79.2 | -28.6 | 176.8 | -86.6 | -26.6 | 0 | 0 | 0 | 113.4 | E274 E275 I276 K281 | E274-D278 WeakPolarHBondContact O-CB 3.35Å; E274-D278 PolarHBondContact O-N 2.88Å; E275-D278 PolarHBondContact O-N 3.39Å; I276-D278 VanDerWaalsContact C-N 3.25Å; I276-D278 PolarHBondContact O-N 2.93Å; D278-K281 IonicContact OD1-NZ 3.61Å; D278-K281 PolarHBondContact OD1-NZ 3.01Å |
| 279 | M | 67 | Low | 77.4 | Confident | 148 Ų | 148 | 102.5 Ų | 102.5 | 73% | 0.729 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.9 | -32.3 | 172.8 | -69.5 | -165.6 | 72.9 | 0 | 0 | 112.9 | E275 I276 K281 | E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 3.14Å; I276-M279 PolarHBondContact O-N 3.38Å; M279-K281 PolarHBondContact O-N 3.16Å |
| 280 | D | 67.9 | Low | 77.8 | Confident | 119 Ų | 119 | 101.9 Ų | 101.9 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 27.6 | -172.8 | -73.5 | -23.1 | 0 | 0 | 0 | 114.4 | I276 P282 | I276-D280 PolarHBondContact O-N 3.41Å; I276-D280 VanDerWaalsContact O-N 3.09Å; D280-P282 WeakPolarHBondContact O-CD 3.3Å |
| 281 | K | 71.5 | Confident | 79 | Confident | 143 Ų | 143 | 96.7 Ų | 96.7 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | trans | -61.6 | 109.6 | 170.7 | -88.2 | 161.3 | 178.9 | 145.3 | 0 | 108.8 | D278 M279 A283 | D278-K281 IonicContact OD1-NZ 3.61Å; D278-K281 PolarHBondContact OD1-NZ 3.01Å; M279-K281 PolarHBondContact O-N 3.16Å; K281-A283 PolarHBondContact O-N 3.18Å | ||
| 282 | P | 67.2 | Low | 79.9 | Confident | 119 Ų | 119 | 90.9 Ų | 90.9 | 77% | 0.773 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 135.1 | -176.2 | 26.5 | -33.2 | 0 | 0 | 0 | 108.7 | D280 | D280-P282 WeakPolarHBondContact O-CD 3.3Š|
| 283 | A | 70.3 | Confident | 80.5 | Confident | 55 Ų | 55 | 89.5 Ų | 89.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 142.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K281 V285 A295 | K281-A283 PolarHBondContact O-N 3.18Å; A283-V285 PolarHBondContact O-N 2.96Å; A283-V285 VanDerWaalsContact O-N 3.16Å; A283-A295 HydrophobicContact CB-CB 4.04Å |
| 284 | P | 78.4 | Confident | 80.9 | Confident | 100 Ų | 100 | 87.4 Ų | 87.4 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 123.7 | -176.3 | 23 | -33 | 0 | 0 | 0 | 110.4 | A295 | P284-A295 HydrophobicContact CG-CB 4.24Š|
| 285 | V | 84.3 | Confident | 81.3 | Confident | 76 Ų | 76 | 85.1 Ų | 85.1 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 126.4 | -179.7 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | A283 F292 F293 L300 | A283-V285 PolarHBondContact O-N 2.96Å; A283-V285 VanDerWaalsContact O-N 3.16Å; V285-F292 HydrophobicContact CG1-CB 3.91Å; V285-F292 HydrophobicContact CG1-CD1 3.81Å; V285-F292 HydrophobicContact CG1-CG 4.36Å; V285-F293 CarbonylContact C-O 3.6Å; V285-F293 WeakPolarHBondContact CA-O 3.35Å; V285-F293 WeakPolarHBondContact CG1-O 3.41Å; V285-L300 HydrophobicContact CG1-CD1 4.06Å; V285-L300 HydrophobicContact CG2-CD1 3.89Å |
| 286 | V | 87.6 | Confident | 81.6 | Confident | 78 Ų | 78 | 86.9 Ų | 86.9 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.2 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | V288 F293 | V286-V288 HydrophobicContact CG1-CG2 4.2Å; V286-F293 PolarHBondContact N-O 2.91Å; V286-F293 PolarHBondContact O-N 3.18Å |
| 287 | Q | 90.6 | Very high | 82.1 | Confident | 121 Ų | 121 | 85.6 Ų | 85.6 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.2 | 175.3 | -173.4 | -178.9 | 1.6 | 0 | 0 | 110.6 | G289 F292 | Q287-G289 PolarHBondContact NE2-O 3.03Å; Q287-F292 HydrophobicContact CB-CD1 4.14Å; Q287-F292 HydrophobicContact CB-CE1 3.97Å; Q287-F292 HydrophobicContact CG-CD1 4.21Å; Q287-F292 HydrophobicContact CG-CE1 3.78Å; Q287-F292 HydrophobicContact CG-CE2 4.41Å; Q287-F292 HydrophobicContact CG-CZ 3.89Å |
| 288 | V | 86.9 | Confident | 82.9 | Confident | 93 Ų | 93 | 84 Ų | 84 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 99 | 172.3 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | V286 S290 D291 F293 | V286-V288 HydrophobicContact CG1-CG2 4.2Å; V288-S290 PolarHBondContact O-N 2.73Å; V288-D291 PolarHBondContact N-O 3.27Å; V288-D291 PolarHBondContact O-N 3.01Å; V288-D291 VanDerWaalsContact O-N 3.14Å; V288-F293 HydrophobicContact CB-CD2 4.41Å; V288-F293 HydrophobicContact CB-CE2 4.05Å; V288-F293 HydrophobicContact CG2-CD2 4.21Å; V288-F293 HydrophobicContact CG2-CE2 4.26Å |
| 289 | G | 90.3 | Very high | 83.8 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 66% | 0.66 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | -118 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q287 | Q287-G289 PolarHBondContact NE2-O 3.03Š|
| 290 | S | 87.7 | Confident | 85 | Confident | 52 Ų | 52 | 81 Ų | 81 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.4 | 175.9 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | V288 R302 T303 | V288-S290 PolarHBondContact O-N 2.73Å; S290-R302 VanDerWaalsContact O-CA 3.28Å; S290-R302 WeakPolarHBondContact O-CA 3.29Å; S290-T303 PolarHBondContact O-N 3.48Å; S290-T303 PolarHBondContact O-OG1 3.15Å |
| 291 | D | 94.4 | Very high | 86.1 | Confident | 24 Ų | 24 | 81.2 Ų | 81.2 | 13% | 0.128 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.6 | -167.9 | -63.4 | 3.1 | 0 | 0 | 0 | 110.2 | V288 F293 F299 R302 | V288-D291 PolarHBondContact N-O 3.27Å; V288-D291 PolarHBondContact O-N 3.01Å; V288-D291 VanDerWaalsContact O-N 3.14Å; D291-F293 HydrophobicContact CB-CD2 4.49Å; D291-F293 HydrophobicContact CB-CE2 3.56Å; D291-F293 HydrophobicContact CB-CZ 3.93Å; D291-F299 HydrophobicContact CB-CD2 4.28Å; D291-F299 HydrophobicContact CB-CE2 3.93Å; D291-R302 WeakPolarHBondContact OD1-CG 3.43Å; D291-R302 IonicContact OD1-CZ 3.94Å; D291-R302 IonicContact OD1-NE 2.73Å; D291-R302 PolarHBondContact OD1-NE 3.1Å; D291-R302 IonicContact OD1-NH2 3.57Å; D291-R302 PolarHBondContact OD1-NH2 3.36Å; D291-R302 IonicContact OD2-CZ 3.34Å; D291-R302 IonicContact OD2-NE 2.66Å; D291-R302 IonicContact OD2-NH2 3.3Å; D291-R302 PolarHBondContact OD2-NH2 3.38Å |
| 292 | F | 94.3 | Very high | 87 | Confident | 28 Ų | 28 | 82.1 Ų | 82.1 | 12% | 0.123 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.1 | -179.4 | -66.6 | -97 | 0 | 0 | 0 | 109.3 | V285 Q287 L300 Y301 T303 | V285-F292 HydrophobicContact CG1-CB 3.91Å; V285-F292 HydrophobicContact CG1-CD1 3.81Å; V285-F292 HydrophobicContact CG1-CG 4.36Å; Q287-F292 HydrophobicContact CB-CD1 4.14Å; Q287-F292 HydrophobicContact CB-CE1 3.97Å; Q287-F292 HydrophobicContact CG-CD1 4.21Å; Q287-F292 HydrophobicContact CG-CE1 3.78Å; Q287-F292 HydrophobicContact CG-CE2 4.41Å; Q287-F292 HydrophobicContact CG-CZ 3.89Å; F292-L300 WeakPolarHBondContact O-CB 3.39Å; F292-L300 PolarHBondContact O-N 3.06Å; F292-Y301 HydrophobicContact CB-CD1 4.27Å; F292-Y301 HydrophobicContact CB-CD2 4.37Å; F292-Y301 HydrophobicContact CB-CE1 4.05Å; F292-Y301 HydrophobicContact CB-CE2 4.15Å; F292-Y301 HydrophobicContact CB-CG 4.42Å; F292-Y301 HydrophobicContact CD1-CE2 4.25Å; F292-Y301 AromaticContact CD2-CD2 3.7Å; F292-Y301 HydrophobicContact CD2-CD2 3.7Å; F292-Y301 AromaticContact CD2-CE2 3.33Å; F292-Y301 HydrophobicContact CD2-CE2 3.33Å; F292-Y301 AromaticContact CD2-CZ 3.9Å; F292-Y301 HydrophobicContact CE2-CD2 4.34Å; F292-Y301 AromaticContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CG-CD2 4.19Å; F292-Y301 HydrophobicContact CG-CE1 4.27Å; F292-Y301 AromaticContact CG-CE2 3.64Å; F292-Y301 HydrophobicContact CG-CE2 3.64Å; F292-Y301 AromaticContact CG-CZ 3.67Å; F292-Y301 HydrophobicContact CZ-CE2 4.33Å; F292-Y301 PolarHBondContact N-O 2.98Å; F292-Y301 PolarHBondContact O-N 3.21Å; F292-T303 HydrophobicContact CD2-CG2 4.39Å; F292-T303 HydrophobicContact CE2-CG2 3.57Å; F292-T303 HydrophobicContact CZ-CG2 4.27Å |
| 293 | F | 93.4 | Very high | 87.5 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 22% | 0.224 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 150.4 | -178.2 | -60.1 | -93.9 | 0 | 0 | 0 | 110.5 | V285 V286 V288 D291 G297 N298 F299 | V285-F293 CarbonylContact C-O 3.6Å; V285-F293 WeakPolarHBondContact CA-O 3.35Å; V285-F293 WeakPolarHBondContact CG1-O 3.41Å; V286-F293 PolarHBondContact N-O 2.91Å; V286-F293 PolarHBondContact O-N 3.18Å; V288-F293 HydrophobicContact CB-CD2 4.41Å; V288-F293 HydrophobicContact CB-CE2 4.05Å; V288-F293 HydrophobicContact CG2-CD2 4.21Å; V288-F293 HydrophobicContact CG2-CE2 4.26Å; D291-F293 HydrophobicContact CB-CD2 4.49Å; D291-F293 HydrophobicContact CB-CE2 3.56Å; D291-F293 HydrophobicContact CB-CZ 3.93Å; F293-G297 WeakPolarHBondContact CD1-O 3.29Å; F293-N298 CarbonylContact C-O 3.55Å; F293-N298 WeakPolarHBondContact CA-O 3.35Å; F293-F299 HydrophobicContact CD1-CB 4.14Å; F293-F299 HydrophobicContact CE1-CB 3.93Å; F293-F299 HydrophobicContact CE1-CD2 4.08Å; F293-F299 HydrophobicContact CZ-CD2 4.17Å |
| 294 | D | 91.3 | Very high | 88.4 | Confident | 32 Ų | 32 | 84.8 Ų | 84.8 | 17% | 0.171 | 48% | 0.475 | C | S | . | . | trans | -76.2 | 179.7 | 168.7 | 66.9 | 14.5 | 0 | 0 | 0 | 111.7 | E296 G297 N298 L300 | D294-E296 PolarHBondContact O-N 2.98Å; D294-E296 WeakPolarHBondContact OD1-CA 3.14Å; D294-E296 WeakPolarHBondContact OD1-CB 3.49Å; D294-E296 PolarHBondContact OD1-N 3.28Å; D294-G297 PolarHBondContact O-N 3.01Å; D294-G297 VanDerWaalsContact O-N 3.13Å; D294-G297 PolarHBondContact OD1-N 3.01Å; D294-N298 PolarHBondContact N-O 3.19Å; D294-N298 WeakPolarHBondContact OD1-CA 3.48Å; D294-N298 WeakPolarHBondContact OD1-CB 3.42Å; D294-N298 PolarHBondContact OD1-N 3.13Å; D294-N298 PolarHBondContact OD1-ND2 3.2Å; D294-N298 VanDerWaalsContact OD2-CB 3.28Å; D294-N298 WeakPolarHBondContact OD2-CB 3.36Å; D294-N298 PolarHBondContact OD2-ND2 3.01Å; D294-L300 HydrophobicContact CB-CD1 4.15Å; D294-L300 HydrophobicContact CB-CD2 4.23Å; D294-L300 HydrophobicContact CB-CG 4.25Å | ||
| 295 | A | 84.8 | Confident | 88.9 | Confident | 66 Ų | 66 | 84 Ų | 84 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A283 P284 | A283-A295 HydrophobicContact CB-CB 4.04Å; P284-A295 HydrophobicContact CG-CB 4.24Å |
| 296 | E | 85.1 | Confident | 89.2 | Confident | 163 Ų | 163 | 84.4 Ų | 84.4 | 76% | 0.762 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5 | 179.1 | -65 | 163.8 | -167.5 | 0 | 0 | 111.8 | D294 N298 | D294-E296 PolarHBondContact O-N 2.98Å; D294-E296 WeakPolarHBondContact OD1-CA 3.14Å; D294-E296 WeakPolarHBondContact OD1-CB 3.49Å; D294-E296 PolarHBondContact OD1-N 3.28Å; E296-N298 WeakPolarHBondContact CB-ND2 3.48Å; E296-N298 PolarHBondContact OE2-ND2 3.26Å; E296-N298 VanDerWaalsContact OE2-ND2 3.1Å |
| 297 | G | 85.7 | Confident | 89.3 | Confident | 49 Ų | 49 | 84.8 Ų | 84.8 | 51% | 0.505 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 82.9 | 13.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F293 D294 | F293-G297 WeakPolarHBondContact CD1-O 3.29Å; D294-G297 PolarHBondContact O-N 3.01Å; D294-G297 VanDerWaalsContact O-N 3.13Å; D294-G297 PolarHBondContact OD1-N 3.01Å |
| 298 | N | 90.2 | Very high | 89.2 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | trans | -77.5 | 137.7 | 172.5 | -48.3 | -57 | 0 | 0 | 0 | 109.9 | F293 D294 E296 L300 | F293-N298 CarbonylContact C-O 3.55Å; F293-N298 WeakPolarHBondContact CA-O 3.35Å; D294-N298 PolarHBondContact N-O 3.19Å; D294-N298 WeakPolarHBondContact OD1-CA 3.48Å; D294-N298 WeakPolarHBondContact OD1-CB 3.42Å; D294-N298 PolarHBondContact OD1-N 3.13Å; D294-N298 PolarHBondContact OD1-ND2 3.2Å; D294-N298 VanDerWaalsContact OD2-CB 3.28Å; D294-N298 WeakPolarHBondContact OD2-CB 3.36Å; D294-N298 PolarHBondContact OD2-ND2 3.01Å; E296-N298 WeakPolarHBondContact CB-ND2 3.48Å; E296-N298 PolarHBondContact OE2-ND2 3.26Å; E296-N298 VanDerWaalsContact OE2-ND2 3.1Å; N298-L300 PolarHBondContact O-N 3.13Å | ||
| 299 | F | 90.8 | Very high | 89.3 | Confident | 108 Ų | 108 | 81.9 Ų | 81.9 | 47% | 0.474 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127 | 178 | 174.5 | -94.7 | 0 | 0 | 0 | 110.9 | D291 F293 Y301 R302 | D291-F299 HydrophobicContact CB-CD2 4.28Å; D291-F299 HydrophobicContact CB-CE2 3.93Å; F293-F299 HydrophobicContact CD1-CB 4.14Å; F293-F299 HydrophobicContact CE1-CB 3.93Å; F293-F299 HydrophobicContact CE1-CD2 4.08Å; F293-F299 HydrophobicContact CZ-CD2 4.17Å; F299-Y301 WeakPolarHBondContact CE2-O 3.45Å; F299-R302 HydrophobicContact CE2-CB 4.19Å; F299-R302 HydrophobicContact CZ-CB 3.86Å |
| 300 | L | 92.6 | Very high | 89.3 | Confident | 79 Ų | 79 | 83.1 Ų | 83.1 | 41% | 0.414 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -65.3 | 176.5 | -64 | 173.3 | 0 | 0 | 0 | 110.9 | V285 F292 D294 N298 | V285-L300 HydrophobicContact CG1-CD1 4.06Å; V285-L300 HydrophobicContact CG2-CD1 3.89Å; F292-L300 WeakPolarHBondContact O-CB 3.39Å; F292-L300 PolarHBondContact O-N 3.06Å; D294-L300 HydrophobicContact CB-CD1 4.15Å; D294-L300 HydrophobicContact CB-CD2 4.23Å; D294-L300 HydrophobicContact CB-CG 4.25Å; N298-L300 PolarHBondContact O-N 3.13Å |
| 301 | Y | 90.1 | Very high | 89.4 | Confident | 122 Ų | 122 | 85.5 Ų | 85.5 | 48% | 0.478 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 166.5 | -178.1 | 61.8 | -90.6 | 0 | 0 | 0 | 112.9 | F292 F299 T303 | F292-Y301 HydrophobicContact CB-CD1 4.27Å; F292-Y301 HydrophobicContact CB-CD2 4.37Å; F292-Y301 HydrophobicContact CB-CE1 4.05Å; F292-Y301 HydrophobicContact CB-CE2 4.15Å; F292-Y301 HydrophobicContact CB-CG 4.42Å; F292-Y301 HydrophobicContact CD1-CE2 4.25Å; F292-Y301 AromaticContact CD2-CD2 3.7Å; F292-Y301 HydrophobicContact CD2-CD2 3.7Å; F292-Y301 AromaticContact CD2-CE2 3.33Å; F292-Y301 HydrophobicContact CD2-CE2 3.33Å; F292-Y301 AromaticContact CD2-CZ 3.9Å; F292-Y301 HydrophobicContact CE2-CD2 4.34Å; F292-Y301 AromaticContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CG-CD2 4.19Å; F292-Y301 HydrophobicContact CG-CE1 4.27Å; F292-Y301 AromaticContact CG-CE2 3.64Å; F292-Y301 HydrophobicContact CG-CE2 3.64Å; F292-Y301 AromaticContact CG-CZ 3.67Å; F292-Y301 HydrophobicContact CZ-CE2 4.33Å; F292-Y301 PolarHBondContact N-O 2.98Å; F292-Y301 PolarHBondContact O-N 3.21Å; F299-Y301 WeakPolarHBondContact CE2-O 3.45Å; Y301-T303 HydrophobicContact CD2-CG2 4.42Å; Y301-T303 HydrophobicContact CE2-CG2 4.19Å |
| 302 | R | 91.8 | Very high | 89 | Confident | 163 Ų | 163 | 90.7 Ų | 90.7 | 62% | 0.615 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.3 | 176.7 | 174.8 | 178.1 | -63.9 | -173.6 | -2.5 | 109.9 | S290 D291 F299 | S290-R302 VanDerWaalsContact O-CA 3.28Å; S290-R302 WeakPolarHBondContact O-CA 3.29Å; D291-R302 WeakPolarHBondContact OD1-CG 3.43Å; D291-R302 IonicContact OD1-CZ 3.94Å; D291-R302 IonicContact OD1-NE 2.73Å; D291-R302 PolarHBondContact OD1-NE 3.1Å; D291-R302 IonicContact OD1-NH2 3.57Å; D291-R302 PolarHBondContact OD1-NH2 3.36Å; D291-R302 IonicContact OD2-CZ 3.34Å; D291-R302 IonicContact OD2-NE 2.66Å; D291-R302 IonicContact OD2-NH2 3.3Å; D291-R302 PolarHBondContact OD2-NH2 3.38Å; F299-R302 HydrophobicContact CE2-CB 4.19Å; F299-R302 HydrophobicContact CZ-CB 3.86Å |
| 303 | T | 77.8 | Confident | 88.5 | Confident | 145 Ų | 145 | 96.4 Ų | 96.4 | 89% | 0.89 | 50% | 0.501 | S | S | * | . | trans | -90.4 | 0 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | S290 F292 Y301 | S290-T303 PolarHBondContact O-N 3.48Å; S290-T303 PolarHBondContact O-OG1 3.15Å; F292-T303 HydrophobicContact CD2-CG2 4.39Å; F292-T303 HydrophobicContact CE2-CG2 3.57Å; F292-T303 HydrophobicContact CZ-CG2 4.27Å; Y301-T303 HydrophobicContact CD2-CG2 4.42Å; Y301-T303 HydrophobicContact CE2-CG2 4.19Å |
Retrieved 303 of 303 residues in 408.3 ms
(Link to these results)