| 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 | 36.5 | Very low | 35.8 | Very low | 224 Ų | 224 | 142.6 Ų | 142.6 | 100% | 1.103 | 79% | 0.786 | S | S | * | * | 0 | 101.7 | 0 | -71.5 | 168.3 | 167.4 | 0 | 0 | 105.8 | |||||
| 2 | F | 33.4 | Very low | 35.3 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | 74 | 125.7 | 109.8 | -76.6 | -63.6 | 0 | 0 | 0 | 110.7 | |||||
| 3 | N | 31.4 | Very low | 34.8 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | cis | -162.2 | 148.3 | 23.1 | -110.7 | -49.1 | 0 | 0 | 0 | 110 | ||||
| 4 | S | 44.4 | Very low | 34.6 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -59.5 | 150.5 | 157.4 | -54 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 5 | V | 40.2 | Very low | 34.5 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 175.4 | 114.8 | 131.3 | -89.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 6 | N | 37.3 | Very low | 35 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 72.8 | 148.3 | 58.3 | -143.6 | -10.3 | 0 | 0 | 0 | 113.9 | |||||
| 7 | L | 36.3 | Very low | 35 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 75.4 | 134.5 | -178.4 | -56.9 | 106.4 | 0 | 0 | 0 | 114.7 | ||||
| 8 | G | 33.5 | Very low | 35.2 | Very low | 59 Ų | 59 | 149.6 Ų | 149.6 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | cis | 177.7 | 144.1 | 9.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 9 | N | 33.9 | Very low | 35.1 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | 84.6 | 130.9 | 97.8 | -94.5 | 13.3 | 0 | 0 | 0 | 114.9 | |||||
| 10 | F | 31.4 | Very low | 35.1 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 75.9 | 110.1 | 143 | -81.7 | -116.2 | 0 | 0 | 0 | 116.5 | ||||
| 11 | C | 35.6 | Very low | 35.2 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | 62.4 | 104.3 | 78.1 | -167 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 12 | S | 29.1 | Very low | 35 | Very low | 85 Ų | 85 | 145.8 Ų | 145.8 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | 152.9 | 149.4 | 117 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 13 | Q | 29.4 | Very low | 35 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | 68.4 | 118 | 144.7 | -110.2 | 85.4 | 57.7 | 0 | 0 | 116.6 | ||||
| 14 | T | 32.1 | Very low | 35.5 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | 178.2 | 127.9 | 70.4 | 37.9 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 15 | R | 32.8 | Very low | 35.2 | Very low | 217 Ų | 217 | 148 Ų | 148 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | 59.7 | 104.7 | 82.9 | -152.3 | -172.3 | -162.6 | -168.6 | 6.5 | 113.4 | |||||
| 16 | K | 42.4 | Very low | 35.2 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | 168.7 | 142.8 | 134.9 | -99 | 170.9 | 171.6 | 174.2 | 0 | 109.5 | ||||
| 17 | D | 34.5 | Very low | 35.2 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | cis | 176.1 | 163.2 | -23.8 | -136.5 | -51.5 | 0 | 0 | 0 | 105.7 | ||||
| 18 | R | 38.7 | Very low | 35.4 | Very low | 222 Ų | 222 | 142.9 Ų | 142.9 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | 88.8 | 101.2 | 165.8 | -62.9 | 173.7 | 175.6 | -164.5 | -5.3 | 117.9 | ||||
| 19 | T | 34.5 | Very low | 35.7 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | 80.2 | 111 | 53.3 | 67 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 20 | S | 35.5 | Very low | 36.2 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -173.9 | 104.2 | 134.1 | -173.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 21 | E | 36.3 | Very low | 37 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 31.6 | 129.4 | 97.8 | -87.5 | -165.9 | 123.9 | 0 | 0 | 113.3 | |||||
| 22 | F | 31.7 | Very low | 37.9 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | cis | -170.1 | 156.9 | 34.5 | -158.4 | -100.5 | 0 | 0 | 0 | 109 | ||||
| 23 | G | 33.5 | Very low | 39.2 | Very low | 66 Ų | 66 | 150.1 Ų | 150.1 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 142.6 | 71 | 158 | 0 | 0 | 0 | 0 | 0 | 118.4 | R25 | G23-R25 PolarHBondContact O-N 3.22Š| ||
| 24 | D | 43.3 | Very low | 40.3 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -47.6 | 127.3 | 155.9 | -82.4 | -68.3 | 0 | 0 | 0 | 112.2 | ||||
| 25 | R | 37.9 | Very low | 41.2 | Very low | 242 Ų | 242 | 148.5 Ų | 148.5 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -169.3 | 100.9 | 141.5 | -108.4 | 168.9 | 173.5 | -172.2 | -2.4 | 112.1 | G23 | G23-R25 PolarHBondContact O-N 3.22Š| ||
| 26 | A | 38.7 | Very low | 42.1 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 41 | 135.3 | 136 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 27 | S | 38.5 | Very low | 42.3 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 80.7 | 101 | 144.9 | -103.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 28 | C | 40.9 | Very low | 43.1 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | 173.9 | 96.2 | 100.8 | -92.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 29 | G | 40 | Very low | 43.6 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -82.6 | 133 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | S | 44 | Very low | 44.3 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -109.9 | 81.2 | 161.1 | 59.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 31 | N | 47.5 | Very low | 45 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -81.8 | 115.7 | 163.3 | -73.5 | -58.1 | 0 | 0 | 0 | 107.6 | Y33 | N31-Y33 VanDerWaalsContact C-N 3.3Å; N31-Y33 PolarHBondContact O-N 3.35Å | ||
| 32 | L | 55.6 | Low | 45.9 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 86.3 | 169.1 | -71.5 | 167.5 | 0 | 0 | 0 | 108.7 | ||||
| 33 | Y | 56 | Low | 46.5 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -84.5 | 109.3 | 171.1 | -163.7 | -96.4 | 0 | 0 | 0 | 108.5 | N31 P35 | N31-Y33 VanDerWaalsContact C-N 3.3Å; N31-Y33 PolarHBondContact O-N 3.35Å; Y33-P35 WeakPolarHBondContact O-CD 3.46Å | ||
| 34 | L | 52.8 | Low | 46.9 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -82.5 | 118.9 | 165.3 | -88.8 | 99.8 | 0 | 0 | 0 | 109 | ||||
| 35 | P | 50.9 | Low | 47.1 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | trans | -83.6 | 136.4 | 172.3 | 32 | -28.4 | 0 | 0 | 0 | 110.8 | Y33 | Y33-P35 WeakPolarHBondContact O-CD 3.46Š| ||
| 36 | S | 51.2 | Low | 48 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 68.9 | 68.3 | 166.6 | -74 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 37 | C | 46 | Very low | 48.6 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -95.7 | 77.6 | 144.8 | -73.7 | 0 | 0 | 0 | 0 | 109.1 | Y39 | C37-Y39 PolarHBondContact O-N 3.28Å; C37-Y39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | T | 52.5 | Low | 49 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -72.3 | 101.1 | 163.3 | 49.3 | 0 | 0 | 0 | 0 | 107.6 | Y40 | T38-Y40 PolarHBondContact O-N 3.16Å; T38-Y40 VanDerWaalsContact O-N 3.16Å | ||
| 39 | Y | 48.8 | Very low | 49.7 | Very low | 210 Ų | 210 | 135.9 Ų | 135.9 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -66.3 | 109 | 172 | -156.3 | -94.5 | 0 | 0 | 0 | 107.9 | C37 V41 | C37-Y39 PolarHBondContact O-N 3.28Å; C37-Y39 VanDerWaalsContact O-N 3.14Å; Y39-V41 HydrophobicContact CD1-CG2 4.07Å; Y39-V41 PolarHBondContact O-N 3.3Å | ||
| 40 | Y | 47.8 | Very low | 50.4 | Low | 212 Ų | 212 | 141.3 Ų | 141.3 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 112.4 | 165.7 | -124.7 | -94.1 | 0 | 0 | 0 | 106.7 | T38 P42 | T38-Y40 PolarHBondContact O-N 3.16Å; T38-Y40 VanDerWaalsContact O-N 3.16Å; Y40-P42 WeakPolarHBondContact O-CD 3.29Å | ||
| 41 | V | 51.3 | Low | 51 | Low | 109 Ų | 109 | 143.8 Ų | 143.8 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | trans | -86.3 | 114.7 | 168.5 | 174.7 | 0 | 0 | 0 | 0 | 106.5 | Y39 E43 | Y39-V41 HydrophobicContact CD1-CG2 4.07Å; Y39-V41 PolarHBondContact O-N 3.3Å; V41-E43 PolarHBondContact O-N 3.14Å; V41-E43 VanDerWaalsContact O-N 3.17Å | ||
| 42 | P | 55.6 | Low | 51.4 | Low | 89 Ų | 89 | 142.3 Ų | 142.3 | 58% | 0.578 | 78% | 0.777 | S | S | * | * | trans | -69.6 | 111.1 | 165.8 | -18 | 33.4 | 0 | 0 | 0 | 108.5 | Y40 F44 | Y40-P42 WeakPolarHBondContact O-CD 3.29Å; P42-F44 VanDerWaalsContact C-N 3.33Å; P42-F44 HydrophobicContact CB-CD2 4.15Å; P42-F44 HydrophobicContact CB-CE2 3.82Å; P42-F44 PolarHBondContact O-N 3.14Å | ||
| 43 | E | 43.6 | Very low | 51.2 | Low | 186 Ų | 186 | 143.1 Ų | 143.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -67.7 | 90.3 | 168.8 | -169.9 | 175 | -163.4 | 0 | 0 | 108.3 | V41 S45 | V41-E43 PolarHBondContact O-N 3.14Å; V41-E43 VanDerWaalsContact O-N 3.17Å; E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.35Å | ||
| 44 | F | 42.6 | Very low | 50.7 | Low | 186 Ų | 186 | 137.2 Ų | 137.2 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -75.7 | 96.5 | 165.3 | -76.4 | -79.5 | 0 | 0 | 0 | 108.4 | P42 A46 | P42-F44 VanDerWaalsContact C-N 3.33Å; P42-F44 HydrophobicContact CB-CD2 4.15Å; P42-F44 HydrophobicContact CB-CE2 3.82Å; P42-F44 PolarHBondContact O-N 3.14Å; F44-A46 PolarHBondContact O-N 3.37Å | ||
| 45 | S | 46.5 | Very low | 50.7 | Low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -26.5 | 113.6 | 160.6 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | E43 V47 | E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.35Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 3.05Å | ||
| 46 | A | 56.7 | Low | 50.8 | Low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -69.6 | 86.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F44 | F44-A46 PolarHBondContact O-N 3.37Š| ||
| 47 | V | 51.8 | Low | 50.5 | Low | 126 Ų | 126 | 141.6 Ų | 141.6 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -148.2 | 105.1 | 158.9 | -166.9 | 0 | 0 | 0 | 0 | 109.7 | S45 | S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 3.05Å | ||
| 48 | S | 46.9 | Very low | 50.7 | Low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | -177.3 | 92.3 | 126.9 | -163 | 0 | 0 | 0 | 0 | 109.4 | F50 | S48-F50 PolarHBondContact O-N 2.83Š| |||
| 49 | S | 54.7 | Low | 50.7 | Low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -88.3 | 72 | 169.7 | 48.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 50 | F | 55.1 | Low | 50.8 | Low | 189 Ų | 189 | 139.6 Ų | 139.6 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -146.7 | 74.2 | 165.5 | -86.3 | -77.6 | 0 | 0 | 0 | 110.5 | S48 | S48-F50 PolarHBondContact O-N 2.83Š| ||
| 51 | L | 58.2 | Low | 51 | Low | 167 Ų | 167 | 138.3 Ų | 138.3 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -108.6 | 118.1 | 153.8 | -96.4 | 160 | 0 | 0 | 0 | 106.9 | Q53 | L51-Q53 PolarHBondContact O-N 3.42Š| ||
| 52 | P | 54.7 | Low | 51.3 | Low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -61.1 | 121.5 | 172.7 | -18.8 | 30.8 | 0 | 0 | 0 | 109.1 | A54 | P52-A54 PolarHBondContact O-N 2.72Š| ||
| 53 | Q | 52 | Low | 50.7 | Low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -58.3 | 106.8 | 174.2 | -170.1 | 159.8 | 9.7 | 0 | 0 | 109.1 | L51 | L51-Q53 PolarHBondContact O-N 3.42Š| ||
| 54 | A | 46.1 | Very low | 51 | Low | 83 Ų | 83 | 141.4 Ų | 141.4 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | -61.5 | 127.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P52 S56 | P52-A54 PolarHBondContact O-N 2.72Å; A54-S56 PolarHBondContact O-N 3.05Å | ||
| 55 | P | 51.4 | Low | 51.4 | Low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -69.1 | 101.4 | 176.5 | 26.9 | -31.5 | 0 | 0 | 0 | 108.4 | R57 | P55-R57 VanDerWaalsContact C-N 3.34Å; P55-R57 PolarHBondContact O-N 3.24Å | ||
| 56 | S | 52.8 | Low | 51.9 | Low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -56.6 | 98.9 | 164.9 | 170.1 | 0 | 0 | 0 | 0 | 108.2 | A54 Q58 | A54-S56 PolarHBondContact O-N 3.05Å; S56-Q58 PolarHBondContact O-N 3.06Å | ||
| 57 | R | 45 | Very low | 51.8 | Low | 227 Ų | 227 | 145.1 Ų | 145.1 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -60.4 | 101.5 | 167.8 | -74.7 | -98.3 | 169.6 | -178.6 | -5.3 | 107.7 | P55 I59 | P55-R57 VanDerWaalsContact C-N 3.34Å; P55-R57 PolarHBondContact O-N 3.24Å; R57-I59 PolarHBondContact O-N 3.15Å | ||
| 58 | Q | 51 | Low | 51.9 | Low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -68.1 | 114.1 | 165.9 | -68.1 | -165 | -16.4 | 0 | 0 | 107.7 | S56 T60 | S56-Q58 PolarHBondContact O-N 3.06Å; Q58-T60 PolarHBondContact O-N 3.2Å | ||
| 59 | I | 52.8 | Low | 52.3 | Low | 118 Ų | 118 | 147.8 Ų | 147.8 | 61% | 0.605 | 79% | 0.791 | S | S | * | * | trans | -82 | 101.3 | 171.2 | -57.9 | 174.3 | 0 | 0 | 0 | 106.5 | R57 Y61 | R57-I59 PolarHBondContact O-N 3.15Å; I59-Y61 HydrophobicContact CB-CE2 4.04Å; I59-Y61 HydrophobicContact CG2-CD1 4.39Å; I59-Y61 HydrophobicContact CG2-CD2 3.87Å; I59-Y61 HydrophobicContact CG2-CE1 3.95Å; I59-Y61 HydrophobicContact CG2-CE2 3.38Å; I59-Y61 HydrophobicContact CG2-CG 4.36Å; I59-Y61 VanDerWaalsContact CG2-CZ 3.43Å; I59-Y61 PolarHBondContact O-N 3.02Å | ||
| 60 | T | 50.7 | Low | 52.3 | Low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 105.2 | 171.6 | -53.8 | 0 | 0 | 0 | 0 | 108.5 | Q58 | Q58-T60 PolarHBondContact O-N 3.2Š| ||
| 61 | Y | 52.4 | Low | 51.8 | Low | 184 Ų | 184 | 146.8 Ų | 146.8 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -85.3 | 129.8 | 168.3 | -66.7 | -81.2 | 0 | 0 | 0 | 109.5 | I59 Y63 | I59-Y61 HydrophobicContact CB-CE2 4.04Å; I59-Y61 HydrophobicContact CG2-CD1 4.39Å; I59-Y61 HydrophobicContact CG2-CD2 3.87Å; I59-Y61 HydrophobicContact CG2-CE1 3.95Å; I59-Y61 HydrophobicContact CG2-CE2 3.38Å; I59-Y61 HydrophobicContact CG2-CG 4.36Å; I59-Y61 VanDerWaalsContact CG2-CZ 3.43Å; I59-Y61 PolarHBondContact O-N 3.02Å; Y61-Y63 PolarHBondContact O-N 3.47Å; Y61-Y63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | P | 56.5 | Low | 51.6 | Low | 127 Ų | 127 | 144.1 Ų | 144.1 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -81.6 | 93.5 | 171.1 | 32.5 | -28.4 | 0 | 0 | 0 | 107.9 | ||||
| 63 | Y | 43.9 | Very low | 51.4 | Low | 218 Ų | 218 | 145.2 Ų | 145.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -104.4 | 123 | 162.5 | -157.8 | -93.2 | 0 | 0 | 0 | 109.4 | Y61 T65 | Y61-Y63 PolarHBondContact O-N 3.47Å; Y61-Y63 VanDerWaalsContact O-N 3.15Å; Y63-T65 PolarHBondContact O-N 3.15Å | ||
| 64 | S | 48.6 | Very low | 51.7 | Low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -53.9 | 122.4 | -177.4 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | N66 | S64-N66 PolarHBondContact O-N 3.44Å; S64-N66 VanDerWaalsContact O-N 3.12Å | ||
| 65 | T | 52.3 | Low | 51.6 | Low | 136 Ų | 136 | 150.7 Ų | 150.7 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -69.6 | 97 | 165.5 | 26.2 | 0 | 0 | 0 | 0 | 110.1 | Y63 | Y63-T65 PolarHBondContact O-N 3.15Š| ||
| 66 | N | 56.5 | Low | 51.4 | Low | 159 Ų | 159 | 149.9 Ų | 149.9 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -153.5 | 77.1 | 149.6 | -116.8 | -83.4 | 0 | 0 | 0 | 109 | S64 | S64-N66 PolarHBondContact O-N 3.44Å; S64-N66 VanDerWaalsContact O-N 3.12Å | ||
| 67 | L | 54.9 | Low | 50.9 | Low | 168 Ų | 168 | 150.2 Ų | 150.2 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -138.5 | 122.8 | 160.7 | -150.7 | 69.2 | 0 | 0 | 0 | 108.5 | ||||
| 68 | S | 52.9 | Low | 50.9 | Low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -56.5 | 139 | -177.6 | 36.1 | 0 | 0 | 0 | 0 | 111.6 | V70 | S68-V70 PolarHBondContact O-N 2.86Å; S68-V70 VanDerWaalsContact O-N 3.1Å | ||
| 69 | Q | 56.1 | Low | 50.4 | Low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -49.4 | 105.1 | 179.8 | -165.5 | 173 | 16.8 | 0 | 0 | 112.3 | ||||
| 70 | V | 53.7 | Low | 50.3 | Low | 134 Ų | 134 | 149 Ų | 149 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 128.2 | 165.9 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | S68 | S68-V70 PolarHBondContact O-N 2.86Å; S68-V70 VanDerWaalsContact O-N 3.1Å |
| 71 | Q | 44.2 | Very low | 49.9 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147.6 | -175.8 | -72.3 | -75 | -22.4 | 0 | 0 | 112.9 | V73 | Q71-V73 PolarHBondContact O-N 3.29Š|
| 72 | P | 55.2 | Low | 49.5 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 121.5 | -179.7 | 28.1 | -32 | 0 | 0 | 0 | 111.3 | ||
| 73 | V | 51.2 | Low | 48.7 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76 | 122.3 | 169 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | Q71 | Q71-V73 PolarHBondContact O-N 3.29Š|
| 74 | R | 57.5 | Low | 49 | Very low | 226 Ų | 226 | 140.8 Ų | 140.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 150.9 | 179.3 | -61.8 | -159.6 | -173.5 | -179.5 | 3.5 | 111.9 | V76 | R74-V76 PolarHBondContact O-N 3.41Š|
| 75 | D | 44 | Very low | 49.2 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -45.9 | 127.4 | 179.7 | -60.9 | -74 | 0 | 0 | 0 | 114.3 | ||||
| 76 | V | 46.2 | Very low | 48.7 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 60% | 0.6 | 79% | 0.794 | S | S | * | * | trans | -87.5 | 108.7 | 162.9 | 173.2 | 0 | 0 | 0 | 0 | 107.3 | R74 Y78 | R74-V76 PolarHBondContact O-N 3.41Å; V76-Y78 HydrophobicContact CB-CE2 4.37Å; V76-Y78 HydrophobicContact CG1-CD1 4.33Å; V76-Y78 HydrophobicContact CG1-CD2 4.46Å; V76-Y78 HydrophobicContact CG1-CE1 4.03Å; V76-Y78 HydrophobicContact CG1-CE2 4.17Å; V76-Y78 WeakPolarHBondContact O-CD2 3.39Å; V76-Y78 PolarHBondContact O-N 3.28Å | ||
| 77 | S | 42.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -71 | 107.4 | 167 | -69.7 | 0 | 0 | 0 | 0 | 109.2 | S79 | S77-S79 PolarHBondContact O-N 3.14Å; S77-S79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | Y | 45.2 | Very low | 47.4 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -77.2 | 92.5 | 168.9 | -59.4 | -86.4 | 0 | 0 | 0 | 109 | V76 L80 | V76-Y78 HydrophobicContact CB-CE2 4.37Å; V76-Y78 HydrophobicContact CG1-CD1 4.33Å; V76-Y78 HydrophobicContact CG1-CD2 4.46Å; V76-Y78 HydrophobicContact CG1-CE1 4.03Å; V76-Y78 HydrophobicContact CG1-CE2 4.17Å; V76-Y78 WeakPolarHBondContact O-CD2 3.39Å; V76-Y78 PolarHBondContact O-N 3.28Å; Y78-L80 PolarHBondContact O-N 3.1Å; Y78-L80 VanDerWaalsContact O-N 3.15Å | ||
| 79 | S | 40.2 | Very low | 47.1 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -63.6 | 111.2 | 160.7 | -87 | 0 | 0 | 0 | 0 | 108.8 | S77 E81 | S77-S79 PolarHBondContact O-N 3.14Å; S77-S79 VanDerWaalsContact O-N 3.14Å; S79-E81 PolarHBondContact O-N 2.85Å; S79-E81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | L | 50.3 | Low | 46.2 | Very low | 173 Ų | 173 | 152 Ų | 152 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -63.2 | 100.4 | 161.3 | -85.6 | 135.3 | 0 | 0 | 0 | 108.8 | Y78 | Y78-L80 PolarHBondContact O-N 3.1Å; Y78-L80 VanDerWaalsContact O-N 3.15Å | ||
| 81 | E | 42.8 | Very low | 45.4 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | trans | -78.2 | 128.7 | 163 | -167.7 | -142.3 | 159.6 | 0 | 0 | 108.9 | S79 S83 | S79-E81 PolarHBondContact O-N 2.85Å; S79-E81 VanDerWaalsContact O-N 3.1Å; E81-S83 VanDerWaalsContact C-N 3.34Å; E81-S83 PolarHBondContact O-N 2.64Å | ||
| 82 | P | 43.8 | Very low | 45.1 | Very low | 116 Ų | 116 | 155.8 Ų | 155.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -75.1 | 89.5 | 171.8 | 29.8 | -30.2 | 0 | 0 | 0 | 109.3 | S84 | P82-S84 PolarHBondContact O-N 2.9Š| ||
| 83 | S | 40.4 | Very low | 44.3 | Very low | 95 Ų | 95 | 154.9 Ų | 154.9 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -68.9 | 93.7 | 172.7 | -167.3 | 0 | 0 | 0 | 0 | 110.3 | E81 | E81-S83 VanDerWaalsContact C-N 3.34Å; E81-S83 PolarHBondContact O-N 2.64Å | ||
| 84 | S | 50.3 | Low | 43.6 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -126.1 | 76.5 | 164 | -74.6 | 0 | 0 | 0 | 0 | 108.7 | P82 | P82-S84 PolarHBondContact O-N 2.9Š| ||
| 85 | K | 52.8 | Low | 42.5 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | trans | -152.6 | 111.1 | 161.8 | -119.9 | 172.2 | -178 | 179.9 | 0 | 110.9 | H87 | K85-H87 PolarHBondContact O-N 3.36Å; K85-H87 PolarHBondContact O-ND1 2.61Å | ||
| 86 | W | 41.7 | Very low | 42.3 | Very low | 251 Ų | 251 | 152.7 Ų | 152.7 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | -62.8 | 119.3 | 170.8 | -72.1 | 82.9 | 0 | 0 | 0 | 109.5 | H88 | W86-H88 PolarHBondContact O-N 3.17Š| ||
| 87 | H | 46.8 | Very low | 41.8 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -77.1 | 111.7 | 173 | -65.9 | 80.6 | 0 | 0 | 0 | 109.2 | K85 R89 | K85-H87 PolarHBondContact O-N 3.36Å; K85-H87 PolarHBondContact O-ND1 2.61Å; H87-R89 PolarHBondContact O-N 3.02Å | ||
| 88 | H | 36.3 | Very low | 41.7 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 117.4 | 163.5 | -80.8 | 32.4 | 0 | 0 | 0 | 108.4 | W86 G90 | W86-H88 PolarHBondContact O-N 3.17Å; H88-G90 PolarHBondContact O-N 3.19Å | ||
| 89 | R | 48.5 | Very low | 41.3 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 102.5 | 172.6 | -143.2 | -172.4 | -162.6 | -77.5 | 0.8 | 108.1 | H87 | H87-R89 PolarHBondContact O-N 3.02Š| ||
| 90 | G | 36.4 | Very low | 41 | Very low | 69 Ų | 69 | 151.6 Ų | 151.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -121.7 | 103.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | H88 | H88-G90 PolarHBondContact O-N 3.19Š| ||
| 91 | N | 36.4 | Very low | 40.9 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 85.9 | 121.1 | 90.5 | -134.6 | 61.5 | 0 | 0 | 0 | 112.8 | |||||
| 92 | Y | 38.8 | Very low | 41.2 | Very low | 205 Ų | 205 | 148 Ų | 148 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -27.1 | 135.1 | 178.9 | -90.3 | -105.7 | 0 | 0 | 0 | 119.5 | ||||
| 93 | A | 38.8 | Very low | 41.2 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 49.2 | 116.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 94 | S | 35.7 | Very low | 41.3 | Very low | 114 Ų | 114 | 156.1 Ų | 156.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -154.6 | 110.8 | 142.2 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | C | 34.4 | Very low | 40.5 | Very low | 134 Ų | 134 | 157.6 Ų | 157.6 | 91% | 0.905 | 80% | 0.795 | S | S | * | * | trans | -147.9 | 79.9 | 152.4 | -51.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 96 | Y | 40 | Very low | 39.8 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | -77.4 | 143.7 | 151.9 | -121.7 | -92 | 0 | 0 | 0 | 108.2 | ||||
| 97 | S | 36.2 | Very low | 39.9 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -86.4 | 148.6 | -169 | 173.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 98 | G | 39.5 | Very low | 39.9 | Very low | 53 Ų | 53 | 147.2 Ų | 147.2 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | trans | 86 | 132.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 99 | E | 37.2 | Very low | 40.1 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 63.6 | 142.8 | 154.6 | 81.1 | -141.7 | 142.3 | 0 | 0 | 117.7 | ||||
| 100 | E | 34.6 | Very low | 39.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -165.6 | 166.2 | 23.2 | -166.3 | 172.1 | 148.5 | 0 | 0 | 109.2 | ||||
| 101 | L | 47.9 | Very low | 39.9 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | -22.8 | 141.9 | 171.6 | -67.2 | 81.8 | 0 | 0 | 0 | 119 | ||||
| 102 | V | 49.3 | Very low | 40.3 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | 168 | 141.1 | 91.4 | -76.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 103 | H | 43.3 | Very low | 40.3 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | trans | 53.6 | 116.3 | 144 | -78 | 116.6 | 0 | 0 | 0 | 124.3 | ||||
| 104 | R | 42.5 | Very low | 40.6 | Very low | 210 Ų | 210 | 138.5 Ų | 138.5 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | 44.7 | 114.9 | 125.6 | -69.9 | -78.2 | 145.4 | 153.9 | -6 | 118.8 | |||||
| 105 | D | 32.8 | Very low | 41 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | 172.6 | 147.4 | 106.7 | -85.9 | -35.6 | 0 | 0 | 0 | 113.2 | |||||
| 106 | C | 38.3 | Very low | 41.5 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 72.9 | 99 | 155.6 | -61.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 107 | L | 44.4 | Very low | 42.1 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | 60.9 | 157 | 128.7 | -65.2 | -178.8 | 0 | 0 | 0 | 122 | |||||
| 108 | P | 45.8 | Very low | 42.7 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -95.4 | 163.7 | -154.2 | 38.4 | -33.9 | 0 | 0 | 0 | 114 | S110 | P108-S110 PolarHBondContact O-N 3.39Š| ||
| 109 | P | 41.9 | Very low | 42.7 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -88.8 | 104.5 | 160.6 | 32.9 | -23.6 | 0 | 0 | 0 | 109.1 | ||||
| 110 | S | 36.9 | Very low | 42.3 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -81.9 | 123.3 | 157.9 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | P108 | P108-S110 PolarHBondContact O-N 3.39Š| ||
| 111 | S | 42.2 | Very low | 42.2 | Very low | 94 Ų | 94 | 151.6 Ų | 151.6 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | trans | -50 | 144.5 | 161.6 | 60 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 112 | T | 45.9 | Very low | 41.4 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | trans | 141.1 | 115.2 | 136.2 | 52.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 113 | M | 38.3 | Very low | 40.8 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | -179.3 | 98.7 | 125.5 | -88.5 | -54.8 | 171.6 | 0 | 0 | 107.6 | |||||
| 114 | T | 44.5 | Very low | 40.5 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -44.2 | 146.6 | 142.9 | -47.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 115 | E | 45 | Very low | 40.2 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 92.6 | 87 | 175.8 | -55.4 | -167.5 | 136.3 | 0 | 0 | 117.7 | ||||
| 116 | M | 44.4 | Very low | 40.5 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -139.8 | 58.4 | 151.2 | -75.2 | -165 | 73.7 | 0 | 0 | 111.1 | ||||
| 117 | L | 52.9 | Low | 40.4 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -130.9 | 61.6 | 171.2 | -74.7 | 158.3 | 0 | 0 | 0 | 110.1 | ||||
| 118 | M | 49 | Very low | 40.2 | Very low | 187 Ų | 187 | 151.1 Ų | 151.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -160.2 | 138.1 | 159.5 | -100 | 134.7 | -154.5 | 0 | 0 | 110.3 | ||||
| 119 | K | 39.3 | Very low | 39.8 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 92.4 | 107.6 | 175.6 | -66.7 | 172.5 | 162.7 | 179 | 0 | 116.3 | ||||
| 120 | N | 29.8 | Very low | 39.9 | Very low | 172 Ų | 172 | 156 Ų | 156 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | trans | -138.8 | 104 | 130.2 | -96.1 | -12.2 | 0 | 0 | 0 | 108 | ||||
| 121 | E | 31.7 | Very low | 40 | Very low | 171 Ų | 171 | 158.4 Ų | 158.4 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -129 | 126.8 | 164.5 | -92.4 | -72.8 | 144.9 | 0 | 0 | 106.3 | ||||
| 122 | S | 31.7 | Very low | 39.8 | Very low | 117 Ų | 117 | 163.3 Ų | 163.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -169.7 | 91.5 | 156.8 | -125.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 123 | V | 36 | Very low | 39.5 | Very low | 111 Ų | 111 | 166 Ų | 166 | 67% | 0.673 | 82% | 0.817 | S | S | * | * | 66.8 | 99.2 | 87.8 | -177 | 0 | 0 | 0 | 0 | 113 | |||||
| 124 | Y | 36 | Very low | 40.1 | Very low | 238 Ų | 238 | 163.3 Ų | 163.3 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | trans | -140 | 100.9 | 140.2 | -120.5 | -88.1 | 0 | 0 | 0 | 108.4 | ||||
| 125 | S | 36.6 | Very low | 39.6 | Very low | 85 Ų | 85 | 163.1 Ų | 163.1 | 59% | 0.594 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 153.2 | 158.3 | -112.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 126 | H | 40.5 | Very low | 39.2 | Very low | 152 Ų | 152 | 160.2 Ų | 160.2 | 70% | 0.704 | 82% | 0.815 | S | S | * | * | cis | -175.1 | 141.2 | 37.7 | -127.5 | 12.1 | 0 | 0 | 0 | 108 | ||||
| 127 | H | 36.2 | Very low | 39 | Very low | 195 Ų | 195 | 158.7 Ų | 158.7 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | -173.1 | 140.7 | 124.4 | -105.4 | 76.2 | 0 | 0 | 0 | 112.7 | |||||
| 128 | H | 40.4 | Very low | 38.4 | Very low | 156 Ų | 156 | 160 Ų | 160 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -98.9 | 141.4 | -166.2 | -129.4 | -83.5 | 0 | 0 | 0 | 111.4 | ||||
| 129 | H | 37 | Very low | 38.3 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 89% | 0.889 | 80% | 0.798 | S | S | * | * | trans | -159.4 | 150.6 | 136.2 | -133.4 | 68.1 | 0 | 0 | 0 | 113.5 | ||||
| 130 | H | 43.6 | Very low | 38.5 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 68% | 0.676 | 79% | 0.792 | S | S | * | * | trans | -117.7 | 134.9 | -155.9 | -163 | 22.4 | 0 | 0 | 0 | 109.4 | ||||
| 131 | H | 39.6 | Very low | 38.9 | Very low | 157 Ų | 157 | 150 Ų | 150 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 162.2 | 125.1 | 142 | -96.4 | -55.2 | 0 | 0 | 0 | 112.2 | ||||
| 132 | H | 37 | Very low | 39.1 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -146.9 | 134 | 148.7 | -90.5 | -62.6 | 0 | 0 | 0 | 112 | ||||
| 133 | H | 39.8 | Very low | 39.8 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 166.3 | 178.2 | -98 | -104 | 0 | 0 | 0 | 113.7 | ||
| 134 | P | 50.8 | Low | 39.9 | Very low | 116 Ų | 116 | 155.2 Ų | 155.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 150.4 | -176.9 | 34 | -32.3 | 0 | 0 | 0 | 112.7 | ||
| 135 | S | 34.7 | Very low | 39.9 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 136.2 | 174.5 | -82 | 0 | 0 | 0 | 0 | 112.4 | ||
| 136 | S | 35.9 | Very low | 40.3 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 143.9 | 165.4 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 137 | N | 40.6 | Very low | 40.2 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 142.5 | 173.3 | -68.4 | -33.9 | 0 | 0 | 0 | 112.4 | ||
| 138 | H | 39.7 | Very low | 41 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -151 | 147 | 136.8 | -127 | -95.1 | 0 | 0 | 0 | 111.4 | ||||
| 139 | P | 46.8 | Very low | 41.5 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 62% | 0.617 | 81% | 0.813 | S | S | * | * | trans | -105.2 | 162.9 | -161.5 | 36.7 | -23.7 | 0 | 0 | 0 | 113.7 | ||||
| 140 | S | 44.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 48.3 | 116.4 | 140.8 | -55.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 141 | T | 38.6 | Very low | 42.6 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | -152.7 | 94.9 | 115 | 43.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 142 | G | 36.4 | Very low | 43.5 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -87.7 | 119 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 143 | F | 44.4 | Very low | 44.5 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -140.8 | 84.5 | 153.2 | -89.2 | -80.8 | 0 | 0 | 0 | 106.5 | ||||
| 144 | Y | 38.2 | Very low | 45.6 | Very low | 243 Ų | 243 | 132.8 Ų | 132.8 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | 172.2 | 87.6 | 147.1 | -88.3 | -63.3 | 0 | 0 | 0 | 106.8 | ||||
| 145 | S | 37.4 | Very low | 46 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -107.4 | 134.9 | 162.7 | -163.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 146 | G | 43.7 | Very low | 47.2 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 115.4 | 63.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 147 | V | 40.1 | Very low | 48 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -133.4 | 115.4 | 135.9 | -75.7 | 0 | 0 | 0 | 0 | 108.8 | K149 | V147-K149 PolarHBondContact O-N 3.33Å; V147-K149 VanDerWaalsContact O-N 3.14Å | ||
| 148 | G | 51.2 | Low | 49.1 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -60.3 | 111.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 149 | K | 52 | Low | 50.1 | Low | 178 Ų | 178 | 132.6 Ų | 132.6 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | -98.3 | 104.6 | 163.9 | 20.5 | -176.5 | 173.5 | -179.3 | 0 | 106.2 | V147 N151 | V147-K149 PolarHBondContact O-N 3.33Å; V147-K149 VanDerWaalsContact O-N 3.14Å; K149-N151 PolarHBondContact O-N 2.91Å; K149-N151 VanDerWaalsContact O-N 3.16Å; K149-N151 PolarHBondContact O-OD1 3.27Å | ||
| 150 | N | 49.1 | Very low | 50.6 | Low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -55.1 | 117.4 | 162 | -64.6 | -47.6 | 0 | 0 | 0 | 107.2 | V152 | N150-V152 VanDerWaalsContact C-N 3.26Å; N150-V152 HydrophobicContact CB-CG2 4.4Å; N150-V152 PolarHBondContact O-N 2.96Å | ||
| 151 | N | 55.5 | Low | 51.2 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -68.6 | 76.3 | -177.8 | -68.2 | -18.8 | 0 | 0 | 0 | 111.2 | K149 L153 | K149-N151 PolarHBondContact O-N 2.91Å; K149-N151 VanDerWaalsContact O-N 3.16Å; K149-N151 PolarHBondContact O-OD1 3.27Å; N151-L153 PolarHBondContact O-N 3.23Å | ||
| 152 | V | 57.8 | Low | 51.5 | Low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | trans | -92.5 | 33.3 | 173.6 | -164.2 | 0 | 0 | 0 | 0 | 111.2 | N150 | N150-V152 VanDerWaalsContact C-N 3.26Å; N150-V152 HydrophobicContact CB-CG2 4.4Å; N150-V152 PolarHBondContact O-N 2.96Å | ||
| 153 | L | 56.7 | Low | 51.9 | Low | 104 Ų | 104 | 139.8 Ų | 139.8 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -130.6 | 131.6 | 171 | -89.7 | 94.9 | 0 | 0 | 0 | 111.4 | N151 F157 | N151-L153 PolarHBondContact O-N 3.23Å; L153-F157 HydrophobicContact CB-CB 4.31Å; L153-F157 HydrophobicContact CD2-CB 3.43Å; L153-F157 VanDerWaalsContact CD2-CB 3.43Å; L153-F157 HydrophobicContact CD2-CD1 3.36Å; L153-F157 HydrophobicContact CD2-CD2 4.29Å; L153-F157 HydrophobicContact CD2-CE1 4.14Å; L153-F157 HydrophobicContact CD2-CG 3.45Å; L153-F157 VanDerWaalsContact CD2-CG 3.45Å; L153-F157 HydrophobicContact CG-CB 4.43Å |
| 154 | P | 64.2 | Low | 51.8 | Low | 101 Ų | 101 | 135.4 Ų | 135.4 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -57.3 | 144 | 172.7 | -21.5 | 31.7 | 0 | 0 | 0 | 111.2 | G156 F157 | P154-G156 PolarHBondContact O-N 3.02Å; P154-F157 PolarHBondContact O-N 3.19Å | ||
| 155 | Q | 59.2 | Low | 52.2 | Low | 198 Ų | 198 | 132.3 Ų | 132.3 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -3.2 | -177.5 | -83.8 | 169.4 | -12.5 | 0 | 0 | 116.7 | ||
| 156 | G | 59.8 | Low | 52.2 | Low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -6.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | P154 | P154-G156 PolarHBondContact O-N 3.02Š|
| 157 | F | 53.2 | Low | 51.6 | Low | 120 Ų | 120 | 131.8 Ų | 131.8 | 53% | 0.526 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -93.7 | -14.7 | -171.5 | -120.2 | -95.3 | 0 | 0 | 0 | 115.2 | L153 P154 R159 F160 | L153-F157 HydrophobicContact CB-CB 4.31Å; L153-F157 HydrophobicContact CD2-CB 3.43Å; L153-F157 VanDerWaalsContact CD2-CB 3.43Å; L153-F157 HydrophobicContact CD2-CD1 3.36Å; L153-F157 HydrophobicContact CD2-CD2 4.29Å; L153-F157 HydrophobicContact CD2-CE1 4.14Å; L153-F157 HydrophobicContact CD2-CG 3.45Å; L153-F157 VanDerWaalsContact CD2-CG 3.45Å; L153-F157 HydrophobicContact CG-CB 4.43Å; P154-F157 PolarHBondContact O-N 3.19Å; F157-R159 VanDerWaalsContact C-N 3.25Å; F157-R159 PolarHBondContact O-N 3.12Å; F157-F160 PolarHBondContact O-N 2.83Å |
| 158 | D | 62 | Low | 51.4 | Low | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -27.4 | 179.4 | -67 | -49.9 | 0 | 0 | 0 | 112.7 | F160 F161 | D158-F160 PolarHBondContact O-N 3.04Å; D158-F161 PolarHBondContact O-N 3.4Å; D158-F161 VanDerWaalsContact O-N 3.14Å |
| 159 | R | 62.2 | Low | 50.6 | Low | 203 Ų | 203 | 133 Ų | 133 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -62.9 | -17.2 | -179.9 | -160.6 | 178 | -74.1 | 162.2 | -3.8 | 113.4 | F157 S163 | F157-R159 VanDerWaalsContact C-N 3.25Å; F157-R159 PolarHBondContact O-N 3.12Å; R159-S163 PolarHBondContact O-OG 3.03Å |
| 160 | F | 57.3 | Low | 49.5 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 75% | 0.746 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -78.3 | -25.5 | 179.2 | -133.5 | -86.4 | 0 | 0 | 0 | 113.4 | F157 D158 | F157-F160 PolarHBondContact O-N 2.83Å; D158-F160 PolarHBondContact O-N 3.04Å |
| 161 | F | 55.5 | Low | 48.7 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -93.3 | -24.3 | 179.6 | -72.9 | -80.2 | 0 | 0 | 0 | 113.1 | D158 S163 T164 | D158-F161 PolarHBondContact O-N 3.4Å; D158-F161 VanDerWaalsContact O-N 3.14Å; F161-S163 VanDerWaalsContact C-N 3.34Å; F161-T164 PolarHBondContact O-OG1 3.5Å |
| 162 | E | 46.3 | Very low | 47.4 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -74.8 | -23.5 | -179 | -155.6 | 168.9 | -168.3 | 0 | 0 | 112.9 | T164 | E162-T164 VanDerWaalsContact C-N 3.28Å; E162-T164 PolarHBondContact O-N 3.39Å |
| 163 | S | 43.5 | Very low | 46.2 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -3.9 | -179 | -61 | 0 | 0 | 0 | 0 | 115.1 | R159 F161 | R159-S163 PolarHBondContact O-OG 3.03Å; F161-S163 VanDerWaalsContact C-N 3.34Å |
| 164 | T | 44 | Very low | 44.9 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 1.8 | -177.5 | 50.2 | 0 | 0 | 0 | 0 | 114.9 | F161 E162 | F161-T164 PolarHBondContact O-OG1 3.5Å; E162-T164 VanDerWaalsContact C-N 3.28Å; E162-T164 PolarHBondContact O-N 3.39Å |
| 165 | H | 46.2 | Very low | 43.2 | Very low | 177 Ų | 177 | 139 Ų | 139 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -122.3 | 12.7 | -178.6 | -77.3 | -12 | 0 | 0 | 0 | 115.8 | ||
| 166 | S | 36.2 | Very low | 41.5 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -103 | 89.5 | 171.8 | -49.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 167 | G | 32 | Very low | 40.1 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -175.3 | 57 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 168 | A | 36.6 | Very low | 39 | Very low | 85 Ų | 85 | 139.2 Ų | 139.2 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -85.6 | 130.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 169 | D | 33.4 | Very low | 37.6 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 54.8 | 123.8 | 133.5 | -54.8 | -27.7 | 0 | 0 | 0 | 120.8 | ||||
| 170 | N | 29.8 | Very low | 36.1 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -138.3 | 136.1 | 136.9 | -135.5 | -7.2 | 0 | 0 | 0 | 110.7 | ||||
| 171 | S | 30.4 | Very low | 34.8 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -81.7 | 146.5 | -167.2 | 89.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 172 | S | 29.4 | Very low | 33.7 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -154.2 | 111.6 | 138.2 | 36.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 173 | Q | 31.7 | Very low | 33.1 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -62.5 | 138 | 169.3 | -178.3 | -178.2 | 3.7 | 0 | 0 | 111.3 | ||||
| 174 | E | 29.7 | Very low | 32.5 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -160.8 | 143.8 | 137.5 | -78.6 | -137.4 | 117.1 | 0 | 0 | 111.1 | ||||
| 175 | N | 28.4 | Very low | 32 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -47.6 | 164 | -176.6 | -83.1 | -38.4 | 0 | 0 | 0 | 115.7 | ||||
| 176 | C | 24.7 | Very low | 31.2 | Very low | 106 Ų | 106 | 136 Ų | 136 | 72% | 0.716 | 80% | 0.796 | S | S | * | * | cis | -175.6 | 136.3 | 49 | -160.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 177 | S | 29.1 | Very low | 30.9 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 54.3 | 105.8 | 140.5 | -56.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 178 | Q | 31.5 | Very low | 31 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | 39.6 | 144.8 | 113.1 | -71.1 | -177.8 | -25.6 | 0 | 0 | 123.5 | |||||
| 179 | K | 32.1 | Very low | 30.7 | Very low | 213 Ų | 213 | 137.2 Ų | 137.2 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | 92.4 | 135 | 163.8 | -78.6 | -176.5 | 167.7 | -178.4 | 0 | 114.9 | ||||
| 180 | G | 30.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -176.1 | 168.5 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 181 | D | 29.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -76.1 | 156.7 | -168.1 | -161.9 | -2.8 | 0 | 0 | 0 | 114.7 | ||||
| 182 | S | 32.7 | Very low | 32.8 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | 82.8 | 129.2 | 140.3 | 71.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 183 | S | 32.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 86.6 | 149.3 | 139.6 | 79.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 184 | K | 32.5 | Very low | 32.9 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | cis | 172.1 | 136.8 | -17.8 | 173.6 | 174.2 | -173.8 | -162.6 | 0 | 105.3 | ||||
| 185 | L | 31.9 | Very low | 33 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 67 | 153.1 | 157 | -73.4 | 174.9 | 0 | 0 | 0 | 118.2 | ||||
| 186 | D | 29.3 | Very low | 33.5 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | -168.9 | 155 | -0.8 | -179.2 | 32.9 | 0 | 0 | 0 | 109.9 | ||||
| 187 | S | 31.3 | Very low | 34 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | 42.6 | 123.7 | 146.5 | -73.7 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 188 | A | 33 | Very low | 34.4 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | 97.3 | 136.2 | 113.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 189 | S | 30.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 97.4 | 108.3 | 144.2 | -54.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 190 | Q | 34.3 | Very low | 34.9 | Very low | 183 Ų | 183 | 121.9 Ų | 121.9 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -74.8 | -177.9 | 152.3 | -98.1 | -172.8 | -36.7 | 0 | 0 | 111.4 | ||||
| 191 | P | 55.1 | Low | 35.9 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | cis | -127.1 | -156.9 | -48.5 | 42.3 | -23.4 | 0 | 0 | 0 | 108.2 | ||||
| 192 | P | 49.2 | Very low | 36.4 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | -152.1 | 176 | 57.3 | 38.9 | -15.3 | 0 | 0 | 0 | 117.4 | |||||
| 193 | A | 30.9 | Very low | 36.7 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | 55.3 | 143.2 | 140.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 194 | A | 30.8 | Very low | 37 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | cis | -160.3 | 171.4 | 4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 195 | L | 33.4 | Very low | 37.9 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 174.4 | 123.7 | 134.6 | -90.9 | -174.9 | 0 | 0 | 0 | 110.8 | ||||
| 196 | H | 38.5 | Very low | 38.3 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | trans | 108.6 | 136.5 | 141 | -68.6 | -148.3 | 0 | 0 | 0 | 120.5 | ||||
| 197 | S | 35.7 | Very low | 38.5 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -91.5 | 156.5 | -157.9 | -56.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 198 | A | 36.1 | Very low | 39 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 38.2 | 117 | 134 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 199 | A | 36.5 | Very low | 39.3 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | 172.6 | 131.3 | 107.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 200 | D | 37.6 | Very low | 39.7 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -86.9 | 144.8 | 162.1 | -167.2 | 17.3 | 0 | 0 | 0 | 107.6 | E202 | D200-E202 PolarHBondContact OD1-N 2.83Š| ||
| 201 | P | 50.8 | Low | 39.7 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | -146.4 | 161.1 | 86.6 | 33.7 | -13.2 | 0 | 0 | 0 | 116.2 | |||||
| 202 | E | 42.2 | Very low | 39 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -32.8 | 137.7 | 168.8 | -55.9 | -165.3 | 136.5 | 0 | 0 | 117.9 | D200 | D200-E202 PolarHBondContact OD1-N 2.83Š| ||
| 203 | K | 37.7 | Very low | 38.5 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -168.1 | 117.4 | 137.2 | -140 | 176.4 | 177.8 | -176.7 | 0 | 111.9 | ||||
| 204 | D | 39.8 | Very low | 38.7 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -71.8 | 140.3 | 158.6 | -140.3 | -33.7 | 0 | 0 | 0 | 108.9 | ||||
| 205 | P | 50.3 | Low | 39 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | -146 | 160.1 | 110 | 36 | -19.1 | 0 | 0 | 0 | 115.5 | |||||
| 206 | E | 40.5 | Very low | 39.3 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -58.4 | 167 | 175.7 | -59.2 | 172.1 | 133.2 | 0 | 0 | 115.7 | ||||
| 207 | D | 34.9 | Very low | 39.1 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 99 | 119.8 | 154 | -90.3 | -22.5 | 0 | 0 | 0 | 121.7 | ||||
| 208 | E | 41.2 | Very low | 39.2 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | 75.7 | 128.8 | 133.1 | -62.5 | -68.4 | 112.1 | 0 | 0 | 122.5 | ||||
| 209 | E | 39.8 | Very low | 39.3 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 62 | 125.4 | 147.1 | -56.1 | -129.3 | 143.3 | 0 | 0 | 120.3 | ||||
| 210 | E | 38.8 | Very low | 39.4 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 169.6 | 133.6 | 95.9 | -143.5 | -169.1 | 104 | 0 | 0 | 112.4 | |||||
| 211 | N | 33.5 | Very low | 39.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 79% | 0.789 | S | S | * | * | trans | 56.6 | 122.8 | 142.8 | -78.5 | -13.2 | 0 | 0 | 0 | 122.4 | ||||
| 212 | T | 40.7 | Very low | 38.9 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | -174.3 | 160.8 | 90.7 | 35.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 213 | N | 38.2 | Very low | 39.1 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -106.8 | 155.2 | -144.9 | 174.3 | 24 | 0 | 0 | 0 | 113.1 | ||||
| 214 | S | 36.3 | Very low | 39.6 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 79.3 | 119.9 | 143 | -88.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 215 | G | 35.5 | Very low | 39.5 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -161.6 | 58.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 216 | S | 41.3 | Very low | 39.1 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 140.5 | -179.4 | -76.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 217 | C | 33.4 | Very low | 39 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -148.6 | 81.2 | 137.3 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 218 | A | 38.1 | Very low | 39.6 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -133.8 | 92.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S220 | A218-S220 PolarHBondContact O-N 3.09Š| ||
| 219 | S | 37.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | -75.4 | 106.6 | 169.5 | -51.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 220 | S | 38.3 | Very low | 39.8 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -117 | 106.9 | 164.4 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | A218 | A218-S220 PolarHBondContact O-N 3.09Š| ||
| 221 | S | 39.1 | Very low | 39.8 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -101.8 | 110.4 | 166.4 | 53.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 222 | V | 39.6 | Very low | 40.1 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | trans | -106.3 | 117.1 | 170 | -147.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 223 | T | 45.7 | Very low | 40.4 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -130.4 | 123.8 | 161.7 | 49.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 224 | K | 48.4 | Very low | 40.7 | Very low | 201 Ų | 201 | 128 Ų | 128 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -78.2 | 137.6 | 167.3 | -66.9 | 176.5 | 174.8 | 179.3 | 0 | 108.2 | ||||
| 225 | D | 37.9 | Very low | 41.6 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | -174.1 | 164.6 | 116 | -145.8 | -95.8 | 0 | 0 | 0 | 111 | |||||
| 226 | D | 42.6 | Very low | 42.7 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -83.6 | 143.6 | -165.7 | -168.6 | -88.9 | 0 | 0 | 0 | 112.6 | ||||
| 227 | S | 38.1 | Very low | 43.6 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 171.9 | 127.6 | 151.3 | 170 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 228 | A | 47 | Very low | 45.1 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -62.5 | 127.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 229 | S | 38.7 | Very low | 46.7 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -161.8 | 142.6 | 144.7 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 230 | K | 48.2 | Very low | 48.7 | Very low | 204 Ų | 204 | 142 Ų | 142 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -57.7 | 134.2 | -177.5 | -61 | 165.8 | 177.1 | 173.3 | 0 | 111.8 | ||||
| 231 | T | 38 | Very low | 50.9 | Low | 127 Ų | 127 | 146.5 Ų | 146.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -161.7 | 117.5 | 150.3 | -8.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 232 | S | 40.3 | Very low | 53.1 | Low | 99 Ų | 99 | 149.8 Ų | 149.8 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | 40.4 | 107.6 | 142.8 | 46.7 | 0 | 0 | 0 | 0 | 119.8 | S234 | S232-S234 PolarHBondContact O-N 2.87Š| ||
| 233 | H | 46.2 | Very low | 55.6 | Low | 202 Ų | 202 | 154.6 Ų | 154.6 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -64.4 | 81.6 | 155.5 | -69.4 | -64.3 | 0 | 0 | 0 | 110.7 | S235 | H233-S235 PolarHBondContact O-N 3.11Š| ||
| 234 | S | 43.8 | Very low | 57.8 | Low | 85 Ų | 85 | 153.4 Ų | 153.4 | 59% | 0.594 | 81% | 0.805 | S | S | * | * | trans | -77.7 | 101.1 | 165.6 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | S232 T236 | S232-S234 PolarHBondContact O-N 2.87Å; S234-T236 PolarHBondContact O-N 3.2Å | ||
| 235 | S | 55.7 | Low | 60.1 | Low | 118 Ų | 118 | 149.7 Ų | 149.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -68.8 | 66.4 | 169.3 | 46.5 | 0 | 0 | 0 | 0 | 110.6 | H233 | H233-S235 PolarHBondContact O-N 3.11Š| ||
| 236 | T | 58 | Low | 62.9 | Low | 105 Ų | 105 | 145.4 Ų | 145.4 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | trans | -70.9 | 127.5 | 170.3 | 42.5 | 0 | 0 | 0 | 0 | 109.6 | S234 R238 | S234-T236 PolarHBondContact O-N 3.2Å; T236-R238 PolarHBondContact O-N 3.44Å | ||
| 237 | P | 60.5 | Low | 65.6 | Low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -64.8 | 113.5 | 175.5 | 25.5 | -31 | 0 | 0 | 0 | 108 | T239 | P237-T239 PolarHBondContact O-N 3.14Š| ||
| 238 | R | 66.2 | Low | 68.4 | Low | 242 Ų | 242 | 145.5 Ų | 145.5 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | trans | -59.3 | 101.1 | 175.7 | -64.1 | -176.9 | -159.3 | -150.9 | 3.5 | 108.3 | T236 R240 | T236-R238 PolarHBondContact O-N 3.44Å; R238-R240 PolarHBondContact O-N 3.24Å | ||
| 239 | T | 71 | Confident | 70.8 | Confident | 140 Ų | 140 | 145.6 Ų | 145.6 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -57.4 | 111 | 174.6 | 18.8 | 0 | 0 | 0 | 0 | 108.2 | P237 K241 | P237-T239 PolarHBondContact O-N 3.14Å; T239-K241 PolarHBondContact O-N 3.37Å | ||
| 240 | R | 79.8 | Confident | 73.7 | Confident | 226 Ų | 226 | 141.6 Ų | 141.6 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 123.8 | 177.5 | -100.4 | 176.4 | 144 | 170.9 | -3 | 109 | R238 K242 | R238-R240 PolarHBondContact O-N 3.24Å; R240-K242 PolarHBondContact O-N 3.35Å |
| 241 | K | 83.4 | Confident | 76.1 | Confident | 200 Ų | 200 | 134.7 Ų | 134.7 | 87% | 0.87 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -47 | 125.8 | 171.5 | -164.6 | 95.3 | 155.7 | -179.9 | 0 | 108.8 | T239 R243 | T239-K241 PolarHBondContact O-N 3.37Å; K241-R243 PolarHBondContact O-N 3.44Å |
| 242 | K | 86.8 | Confident | 79 | Confident | 192 Ų | 192 | 134.7 Ų | 134.7 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.1 | 174.6 | -67.8 | -72.4 | -174 | 172.8 | 0 | 108.6 | R240 | R240-K242 PolarHBondContact O-N 3.35Š|
| 243 | R | 91.5 | Very high | 81.7 | Confident | 231 Ų | 231 | 130.9 Ų | 130.9 | 87% | 0.872 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 127.6 | -179.9 | -69.6 | -177.6 | 173.8 | -176.9 | -1.5 | 108.7 | K241 | K241-R243 PolarHBondContact O-N 3.44Š|
| 244 | C | 91.9 | Very high | 84.2 | Confident | 111 Ų | 111 | 121.2 Ų | 121.2 | 75% | 0.75 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 125.6 | 167 | -59.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 245 | P | 95.6 | Very high | 86.8 | Confident | 122 Ų | 122 | 120.6 Ų | 120.6 | 79% | 0.792 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 150 | 173.7 | 28.8 | -33.3 | 0 | 0 | 0 | 110.5 | ||
| 246 | Y | 97.8 | Very high | 88.8 | Confident | 70 Ų | 70 | 120.1 Ų | 120.1 | 28% | 0.275 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 145.8 | 173.6 | -59.7 | -46.4 | 0 | 0 | 0 | 110.8 | L278 W286 | Y246-L278 HydrophobicContact CD1-CD1 4.3Å; Y246-L278 HydrophobicContact CD1-CD2 3.89Å; Y246-L278 HydrophobicContact CE1-CD1 4.19Å; Y246-L278 HydrophobicContact CE1-CD2 3.69Å; Y246-W286 AromaticContact CD2-CD1 3.76Å; Y246-W286 AromaticContact CE2-CD1 3.61Å; Y246-W286 HydrophobicContact CE2-CG 4.5Å |
| 247 | T | 98.4 | Very high | 90.7 | Very high | 76 Ų | 76 | 117.3 Ų | 117.3 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 159 | 176.6 | 72.7 | 0 | 0 | 0 | 0 | 110.8 | F249 Q250 I251 | T247-F249 PolarHBondContact O-N 3.38Å; T247-Q250 PolarHBondContact O-N 3.38Å; T247-Q250 VanDerWaalsContact O-N 3.15Å; T247-Q250 VanDerWaalsContact OG1-CG 3.29Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.34Å; T247-Q250 PolarHBondContact OG1-N 3.47Å; T247-I251 WeakPolarHBondContact O-CG1 3.32Å; T247-I251 PolarHBondContact O-N 3.43Å |
| 248 | K | 98 | Very high | 92.5 | Very high | 182 Ų | 182 | 112 Ų | 112 | 79% | 0.791 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.7 | -37.2 | 176.1 | -65.8 | -176.7 | -180 | 179.1 | 0 | 112 | R252 | K248-R252 WeakPolarHBondContact O-CB 3.22Å; K248-R252 PolarHBondContact O-N 2.56Å |
| 249 | F | 98 | Very high | 94 | Very high | 98 Ų | 98 | 108.1 Ų | 108.1 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -51.2 | 175.6 | 176.2 | -100.9 | 0 | 0 | 0 | 111.5 | T247 I251 R252 E253 L276 | T247-F249 PolarHBondContact O-N 3.38Å; F249-I251 VanDerWaalsContact C-N 3.28Å; F249-I251 PolarHBondContact O-N 3.12Å; F249-R252 PolarHBondContact O-N 3.41Å; F249-R252 VanDerWaalsContact O-N 3.15Å; F249-E253 HydrophobicContact CD1-CG 4.37Å; F249-E253 HydrophobicContact CD2-CG 4.23Å; F249-E253 HydrophobicContact CE1-CG 3.99Å; F249-E253 HydrophobicContact CE2-CG 3.81Å; F249-E253 HydrophobicContact CG-CG 4.48Å; F249-E253 HydrophobicContact CZ-CG 3.68Å; F249-E253 WeakPolarHBondContact O-CG 3.45Å; F249-E253 PolarHBondContact O-N 2.9Å; F249-E253 VanDerWaalsContact O-N 3.1Å; F249-L276 HydrophobicContact CD1-CD2 4.14Å; F249-L276 HydrophobicContact CE1-CD2 3.68Å; F249-L276 HydrophobicContact CZ-CD2 4.45Å |
| 250 | Q | 98.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 109.1 Ų | 109.1 | 13% | 0.131 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -55.4 | -44.3 | 177.8 | -70.9 | 172.2 | -29.2 | 0 | 0 | 112.1 | T247 L254 L276 | T247-Q250 PolarHBondContact O-N 3.38Å; T247-Q250 VanDerWaalsContact O-N 3.15Å; T247-Q250 VanDerWaalsContact OG1-CG 3.29Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.34Å; T247-Q250 PolarHBondContact OG1-N 3.47Å; Q250-L254 WeakPolarHBondContact O-CB 3.44Å; Q250-L254 VanDerWaalsContact O-CD1 3.3Å; Q250-L254 WeakPolarHBondContact O-CD1 3.17Å; Q250-L254 WeakPolarHBondContact O-CG 3.3Å; Q250-L254 PolarHBondContact O-N 2.91Å; Q250-L254 VanDerWaalsContact O-N 3.14Å; Q250-L276 HydrophobicContact CG-CB 4.23Å; Q250-L276 PolarHBondContact NE2-O 3.36Å |
| 251 | I | 98.3 | Very high | 96 | Very high | 60 Ų | 60 | 102.3 Ų | 102.3 | 31% | 0.308 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 179.1 | -64 | 165.7 | 0 | 0 | 0 | 111 | T247 F249 E253 L254 E255 | T247-I251 WeakPolarHBondContact O-CG1 3.32Å; T247-I251 PolarHBondContact O-N 3.43Å; F249-I251 VanDerWaalsContact C-N 3.28Å; F249-I251 PolarHBondContact O-N 3.12Å; I251-E253 PolarHBondContact O-N 3.35Å; I251-L254 PolarHBondContact O-N 3.04Å; I251-E255 HydrophobicContact CG2-CG 4.22Å; I251-E255 WeakPolarHBondContact O-CB 3.36Å; I251-E255 WeakPolarHBondContact O-CG 3.27Å; I251-E255 PolarHBondContact O-N 3.37Å |
| 252 | R | 98.4 | Very high | 96.7 | Very high | 127 Ų | 127 | 95.2 Ų | 95.2 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | -178.2 | -167.9 | -167.3 | -53.7 | 103 | -2.2 | 112.4 | K248 F249 E255 R256 | K248-R252 WeakPolarHBondContact O-CB 3.22Å; K248-R252 PolarHBondContact O-N 2.56Å; F249-R252 PolarHBondContact O-N 3.41Å; F249-R252 VanDerWaalsContact O-N 3.15Å; R252-E255 PolarHBondContact O-N 3.16Å; R252-R256 PolarHBondContact O-N 3.03Å |
| 253 | E | 98.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 93.1 Ų | 93.1 | 8% | 0.084 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 179.3 | -62.4 | -61.9 | 118.4 | 0 | 0 | 111.4 | F249 I251 E255 R256 E257 M275 L276 | F249-E253 HydrophobicContact CD1-CG 4.37Å; F249-E253 HydrophobicContact CD2-CG 4.23Å; F249-E253 HydrophobicContact CE1-CG 3.99Å; F249-E253 HydrophobicContact CE2-CG 3.81Å; F249-E253 HydrophobicContact CG-CG 4.48Å; F249-E253 HydrophobicContact CZ-CG 3.68Å; F249-E253 WeakPolarHBondContact O-CG 3.45Å; F249-E253 PolarHBondContact O-N 2.9Å; F249-E253 VanDerWaalsContact O-N 3.1Å; I251-E253 PolarHBondContact O-N 3.35Å; E253-E255 VanDerWaalsContact C-N 3.35Å; E253-E255 PolarHBondContact O-N 3.2Å; E253-R256 PolarHBondContact O-N 3.41Å; E253-R256 IonicContact OE1-CZ 3.27Å; E253-R256 VanDerWaalsContact OE1-CZ 3.27Å; E253-R256 IonicContact OE1-NH1 3.17Å; E253-R256 PolarHBondContact OE1-NH1 2.86Å; E253-R256 VanDerWaalsContact OE1-NH1 3.17Å; E253-R256 IonicContact OE1-NH2 2.64Å; E253-R256 PolarHBondContact OE1-NH2 3.45Å; E253-R256 IonicContact OE2-CZ 3.54Å; E253-R256 IonicContact OE2-NH1 2.61Å; E253-R256 PolarHBondContact OE2-NH1 3.27Å; E253-R256 IonicContact OE2-NH2 3.66Å; E253-E257 PolarHBondContact O-N 3.06Å; E253-E257 VanDerWaalsContact O-N 3.14Å; E253-M275 HydrophobicContact CB-CE 4.1Å; E253-M275 HydrophobicContact CG-CE 4.1Å; E253-M275 VanDerWaalsContact OE2-CE 3.27Å; E253-M275 WeakPolarHBondContact OE2-CE 3.39Å; E253-L276 HydrophobicContact CB-CD1 4.05Å; E253-L276 HydrophobicContact CB-CD2 3.69Å; E253-L276 HydrophobicContact CB-CG 4.44Å; E253-L276 HydrophobicContact CG-CD2 3.74Å |
| 254 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.5 | -70.2 | 165.3 | 0 | 0 | 0 | 112.1 | Q250 I251 F258 L272 L276 L278 V283 W286 F287 | Q250-L254 WeakPolarHBondContact O-CB 3.44Å; Q250-L254 VanDerWaalsContact O-CD1 3.3Å; Q250-L254 WeakPolarHBondContact O-CD1 3.17Å; Q250-L254 WeakPolarHBondContact O-CG 3.3Å; Q250-L254 PolarHBondContact O-N 2.91Å; Q250-L254 VanDerWaalsContact O-N 3.14Å; I251-L254 PolarHBondContact O-N 3.04Å; L254-F258 WeakPolarHBondContact O-CB 3.4Å; L254-F258 PolarHBondContact O-N 2.82Å; L254-L272 HydrophobicContact CD2-CD1 4.12Å; L254-L276 HydrophobicContact CD1-CD1 4.27Å; L254-L276 HydrophobicContact CD2-CD1 3.91Å; L254-L276 HydrophobicContact CG-CD1 3.66Å; L254-L278 HydrophobicContact CD1-CD1 4.15Å; L254-V283 HydrophobicContact CD2-CG1 4.06Å; L254-W286 VanDerWaalsContact C-CH2 3.45Å; L254-W286 HydrophobicContact CB-CD2 3.83Å; L254-W286 HydrophobicContact CB-CE3 3.81Å; L254-W286 HydrophobicContact CB-CH2 3.59Å; L254-W286 HydrophobicContact CB-CZ2 3.58Å; L254-W286 HydrophobicContact CB-CZ3 3.7Å; L254-W286 HydrophobicContact CD1-CB 4.43Å; L254-W286 HydrophobicContact CD1-CD2 3.8Å; L254-W286 HydrophobicContact CD1-CE3 4.46Å; L254-W286 HydrophobicContact CD1-CG 3.74Å; L254-W286 HydrophobicContact CD2-CD2 4.35Å; L254-W286 HydrophobicContact CD2-CE3 4.25Å; L254-W286 HydrophobicContact CG-CD2 4.21Å; L254-W286 HydrophobicContact CG-CE3 4.4Å; L254-W286 WeakPolarHBondContact O-CH2 3.41Å; L254-W286 WeakPolarHBondContact O-CZ3 3.42Å; L254-F287 HydrophobicContact CD2-CE2 4.12Å |
| 255 | E | 98.3 | Very high | 97.8 | Very high | 71 Ų | 71 | 81.7 Ų | 81.7 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 175 | -75 | -179.3 | 164.9 | 0 | 0 | 111.6 | I251 R252 E253 E257 F258 F259 W286 | I251-E255 HydrophobicContact CG2-CG 4.22Å; I251-E255 WeakPolarHBondContact O-CB 3.36Å; I251-E255 WeakPolarHBondContact O-CG 3.27Å; I251-E255 PolarHBondContact O-N 3.37Å; R252-E255 PolarHBondContact O-N 3.16Å; E253-E255 VanDerWaalsContact C-N 3.35Å; E253-E255 PolarHBondContact O-N 3.2Å; E255-E257 VanDerWaalsContact C-N 3.33Å; E255-E257 PolarHBondContact O-N 3.48Å; E255-F258 WeakPolarHBondContact O-CB 3.22Å; E255-F258 PolarHBondContact O-N 2.89Å; E255-F258 VanDerWaalsContact O-N 3.12Å; E255-F259 HydrophobicContact CB-CE2 4.33Å; E255-F259 WeakPolarHBondContact O-CD2 3.42Å; E255-F259 PolarHBondContact O-N 3.18Å; E255-W286 HydrophobicContact CG-CH2 3.89Å; E255-W286 HydrophobicContact CG-CZ2 3.89Å |
| 256 | R | 98.2 | Very high | 97.9 | Very high | 109 Ų | 109 | 84.1 Ų | 84.1 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.8 | -50.3 | 176.8 | -165.9 | -162.8 | -62.9 | 117.3 | 4.9 | 111.1 | R252 E253 F258 F259 F260 | R252-R256 PolarHBondContact O-N 3.03Å; E253-R256 PolarHBondContact O-N 3.41Å; E253-R256 IonicContact OE1-CZ 3.27Å; E253-R256 VanDerWaalsContact OE1-CZ 3.27Å; E253-R256 IonicContact OE1-NH1 3.17Å; E253-R256 PolarHBondContact OE1-NH1 2.86Å; E253-R256 VanDerWaalsContact OE1-NH1 3.17Å; E253-R256 IonicContact OE1-NH2 2.64Å; E253-R256 PolarHBondContact OE1-NH2 3.45Å; E253-R256 IonicContact OE2-CZ 3.54Å; E253-R256 IonicContact OE2-NH1 2.61Å; E253-R256 PolarHBondContact OE2-NH1 3.27Å; E253-R256 IonicContact OE2-NH2 3.66Å; R256-F258 VanDerWaalsContact C-N 3.32Å; R256-F258 PolarHBondContact O-N 2.85Å; R256-F259 WeakPolarHBondContact O-CB 3.41Å; R256-F259 PolarHBondContact O-N 2.88Å; R256-F260 HydrophobicContact CG-CD2 4.32Å; R256-F260 HydrophobicContact CG-CE2 3.76Å; R256-F260 WeakPolarHBondContact O-CD2 2.98Å; R256-F260 PolarHBondContact O-N 3.29Å |
| 257 | E | 98.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 88 Ų | 88 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66 | -34.3 | 178.6 | -72.7 | -66.4 | 167.8 | 0 | 0 | 112.9 | E253 E255 F259 F260 N261 L272 F287 | E253-E257 PolarHBondContact O-N 3.06Å; E253-E257 VanDerWaalsContact O-N 3.14Å; E255-E257 VanDerWaalsContact C-N 3.33Å; E255-E257 PolarHBondContact O-N 3.48Å; E257-F259 VanDerWaalsContact C-N 3.28Å; E257-F259 PolarHBondContact O-N 2.9Å; E257-F260 PolarHBondContact O-N 3.14Å; E257-N261 PolarHBondContact O-N 3.25Å; E257-L272 HydrophobicContact CB-CD1 4Å; E257-L272 HydrophobicContact CG-CD1 3.83Å; E257-L272 HydrophobicContact CG-CD2 3.95Å; E257-L272 HydrophobicContact CG-CG 4.27Å; E257-F287 HydrophobicContact CB-CZ 4.21Å |
| 258 | F | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 88.1 Ų | 88.1 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63 | -35 | 175.1 | -174 | -92.9 | 0 | 0 | 0 | 112.8 | L254 E255 R256 F260 N261 V262 W286 F287 R290 R291 E294 | L254-F258 WeakPolarHBondContact O-CB 3.4Å; L254-F258 PolarHBondContact O-N 2.82Å; E255-F258 WeakPolarHBondContact O-CB 3.22Å; E255-F258 PolarHBondContact O-N 2.89Å; E255-F258 VanDerWaalsContact O-N 3.12Å; R256-F258 VanDerWaalsContact C-N 3.32Å; R256-F258 PolarHBondContact O-N 2.85Å; F258-F260 VanDerWaalsContact C-N 3.34Å; F258-N261 CarbonylContact O-C 3.29Å; F258-N261 VanDerWaalsContact O-C 3.29Å; F258-V262 HydrophobicContact CE1-CG2 4.34Å; F258-V262 HydrophobicContact CE2-CB 4.25Å; F258-V262 HydrophobicContact CE2-CG1 3.84Å; F258-V262 HydrophobicContact CZ-CB 4.27Å; F258-V262 HydrophobicContact CZ-CG1 3.79Å; F258-V262 HydrophobicContact CZ-CG2 4.13Å; F258-V262 PolarHBondContact O-N 3.08Å; F258-W286 HydrophobicContact CB-CH2 4.34Å; F258-W286 HydrophobicContact CB-CZ3 4.12Å; F258-W286 HydrophobicContact CD2-CZ3 4.43Å; F258-F287 HydrophobicContact CB-CE1 4.24Å; F258-F287 AromaticContact CD2-CD1 3.91Å; F258-F287 HydrophobicContact CD2-CD1 3.91Å; F258-F287 AromaticContact CD2-CE1 3.91Å; F258-F287 HydrophobicContact CD2-CE1 3.91Å; F258-R290 HydrophobicContact CD1-CG 3.89Å; F258-R290 HydrophobicContact CD2-CB 4.18Å; F258-R290 HydrophobicContact CD2-CG 3.55Å; F258-R290 HydrophobicContact CE1-CG 3.95Å; F258-R290 HydrophobicContact CE2-CB 4.12Å; F258-R290 HydrophobicContact CE2-CG 3.61Å; F258-R290 HydrophobicContact CG-CG 3.69Å; F258-R290 HydrophobicContact CZ-CG 3.81Å; F258-R291 HydrophobicContact CE2-CG 3.72Å; F258-R291 HydrophobicContact CZ-CG 4.11Å; F258-E294 WeakPolarHBondContact CE1-OE1 3.08Å; F258-E294 WeakPolarHBondContact CZ-OE2 3.48Å |
| 259 | F | 97.3 | Very high | 97.9 | Very high | 162 Ų | 162 | 81.7 Ų | 81.7 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.3 | -36.2 | 174.3 | -73.3 | -68.3 | 0 | 0 | 0 | 112.4 | E255 R256 E257 | E255-F259 HydrophobicContact CB-CE2 4.33Å; E255-F259 WeakPolarHBondContact O-CD2 3.42Å; E255-F259 PolarHBondContact O-N 3.18Å; R256-F259 WeakPolarHBondContact O-CB 3.41Å; R256-F259 PolarHBondContact O-N 2.88Å; E257-F259 VanDerWaalsContact C-N 3.28Å; E257-F259 PolarHBondContact O-N 2.9Å |
| 260 | F | 97.1 | Very high | 97.9 | Very high | 160 Ų | 160 | 80.5 Ų | 80.5 | 70% | 0.702 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.8 | -44 | 175.3 | -71.3 | -67 | 0 | 0 | 0 | 112.1 | R256 E257 F258 | R256-F260 HydrophobicContact CG-CD2 4.32Å; R256-F260 HydrophobicContact CG-CE2 3.76Å; R256-F260 WeakPolarHBondContact O-CD2 2.98Å; R256-F260 PolarHBondContact O-N 3.29Å; E257-F260 PolarHBondContact O-N 3.14Å; F258-F260 VanDerWaalsContact C-N 3.34Å |
| 261 | N | 96.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 83.7 Ų | 83.7 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | trans | -148.3 | 117.8 | 176.9 | -165 | -17 | 0 | 0 | 0 | 111.7 | E257 F258 Y263 | E257-N261 PolarHBondContact O-N 3.25Å; F258-N261 CarbonylContact O-C 3.29Å; F258-N261 VanDerWaalsContact O-C 3.29Å; N261-Y263 PolarHBondContact ND2-O 2.99Å; N261-Y263 VanDerWaalsContact ND2-O 3.15Å; N261-Y263 PolarHBondContact O-N 3.35Å; N261-Y263 VanDerWaalsContact O-N 3.09Å; N261-Y263 PolarHBondContact OD1-N 3.48Å; N261-Y263 PolarHBondContact OD1-O 3.3Å; N261-Y263 VanDerWaalsContact OD1-O 3.05Å | ||
| 262 | V | 97.3 | Very high | 97.9 | Very high | 51 Ų | 51 | 81 Ų | 81 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -58.9 | -24.3 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 112 | F258 R291 | F258-V262 HydrophobicContact CE1-CG2 4.34Å; F258-V262 HydrophobicContact CE2-CB 4.25Å; F258-V262 HydrophobicContact CE2-CG1 3.84Å; F258-V262 HydrophobicContact CZ-CB 4.27Å; F258-V262 HydrophobicContact CZ-CG1 3.79Å; F258-V262 HydrophobicContact CZ-CG2 4.13Å; F258-V262 PolarHBondContact O-N 3.08Å; V262-R291 HydrophobicContact CG1-CG 3.74Å |
| 263 | Y | 97.9 | Very high | 97.9 | Very high | 148 Ų | 148 | 75.9 Ų | 75.9 | 58% | 0.58 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -118.6 | 115.2 | 177.4 | -65.2 | -95 | 0 | 0 | 0 | 111.4 | N261 | N261-Y263 PolarHBondContact ND2-O 2.99Å; N261-Y263 VanDerWaalsContact ND2-O 3.15Å; N261-Y263 PolarHBondContact O-N 3.35Å; N261-Y263 VanDerWaalsContact O-N 3.09Å; N261-Y263 PolarHBondContact OD1-N 3.48Å; N261-Y263 PolarHBondContact OD1-O 3.3Å; N261-Y263 VanDerWaalsContact OD1-O 3.05Å |
| 264 | I | 97.7 | Very high | 97.9 | Very high | 23 Ų | 23 | 83.4 Ų | 83.4 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | trans | -80.5 | 127.8 | 179.5 | -162 | 167.2 | 0 | 0 | 0 | 112.7 | K268 R269 L272 V283 F287 | I264-K268 HydrophobicContact CD1-CB 4.21Å; I264-K268 HydrophobicContact CG1-CB 3.88Å; I264-R269 HydrophobicContact CD1-CB 3.98Å; I264-R269 HydrophobicContact CG1-CB 4.09Å; I264-R269 HydrophobicContact CG2-CB 4.28Å; I264-R269 HydrophobicContact CG2-CG 4.44Å; I264-R269 PolarHBondContact O-NH2 2.79Å; I264-L272 HydrophobicContact CD1-CD1 3.42Å; I264-L272 VanDerWaalsContact CD1-CD1 3.42Å; I264-L272 HydrophobicContact CD1-CG 4.36Å; I264-V283 HydrophobicContact CD1-CG1 4.05Å; I264-F287 HydrophobicContact CB-CD1 3.89Å; I264-F287 HydrophobicContact CB-CD2 4.21Å; I264-F287 HydrophobicContact CB-CE1 3.73Å; I264-F287 HydrophobicContact CB-CE2 4.07Å; I264-F287 HydrophobicContact CB-CG 4.13Å; I264-F287 HydrophobicContact CB-CZ 3.83Å; I264-F287 HydrophobicContact CD1-CD2 4.28Å; I264-F287 HydrophobicContact CD1-CE2 3.6Å; I264-F287 HydrophobicContact CD1-CZ 3.74Å; I264-F287 HydrophobicContact CG1-CE2 4.41Å; I264-F287 HydrophobicContact CG1-CZ 4.23Å; I264-F287 HydrophobicContact CG2-CB 4.32Å; I264-F287 HydrophobicContact CG2-CD1 4.02Å; I264-F287 HydrophobicContact CG2-CD2 3.88Å; I264-F287 HydrophobicContact CG2-CE1 4.33Å; I264-F287 HydrophobicContact CG2-CE2 4.2Å; I264-F287 HydrophobicContact CG2-CG 3.79Å; I264-F287 HydrophobicContact CG2-CZ 4.42Å | ||
| 265 | N | 97.9 | Very high | 97.9 | Very high | 79 Ų | 79 | 87.4 Ų | 87.4 | 42% | 0.422 | 40% | 0.395 | S | S | . | . | trans | -72 | 169.6 | 172.6 | 71.3 | 16.9 | 0 | 0 | 0 | 111.4 | E267 K268 R269 | N265-E267 PolarHBondContact OD1-N 2.9Å; N265-K268 WeakPolarHBondContact OD1-CA 3.39Å; N265-K268 WeakPolarHBondContact OD1-CB 3.41Å; N265-K268 WeakPolarHBondContact OD1-CG 3.46Å; N265-K268 PolarHBondContact OD1-N 3.27Å; N265-R269 VanDerWaalsContact O-CB 3.25Å; N265-R269 WeakPolarHBondContact O-CB 3.47Å; N265-R269 PolarHBondContact O-N 3.37Å; N265-R269 VanDerWaalsContact O-N 3.14Å | ||
| 266 | K | 97.9 | Very high | 97.9 | Very high | 173 Ų | 173 | 84.2 Ų | 84.2 | 75% | 0.752 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | -176.6 | -175.8 | -178.3 | 176.6 | -173.5 | 0 | 112 | R269 L270 | K266-R269 PolarHBondContact O-N 3.17Å; K266-L270 PolarHBondContact O-N 3.42Å; K266-L270 VanDerWaalsContact O-N 3.09Å |
| 267 | E | 98.1 | Very high | 97.9 | Very high | 150 Ų | 150 | 86 Ų | 86 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.9 | -52.5 | -176.3 | -175.5 | -178.7 | -175.7 | 0 | 0 | 112.4 | N265 R269 L270 Q271 | N265-E267 PolarHBondContact OD1-N 2.9Å; E267-R269 VanDerWaalsContact C-N 3.26Å; E267-R269 PolarHBondContact O-N 3.4Å; E267-L270 WeakPolarHBondContact O-CB 3.46Å; E267-L270 PolarHBondContact O-N 3Å; E267-L270 VanDerWaalsContact O-N 3.07Å; E267-Q271 PolarHBondContact O-N 3.19Å |
| 268 | K | 97.9 | Very high | 97.8 | Very high | 80 Ų | 80 | 84.3 Ų | 84.3 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | 176.4 | -67 | -69.2 | 179 | -177.4 | 0 | 112 | I264 N265 L270 Q271 L272 | I264-K268 HydrophobicContact CD1-CB 4.21Å; I264-K268 HydrophobicContact CG1-CB 3.88Å; N265-K268 WeakPolarHBondContact OD1-CA 3.39Å; N265-K268 WeakPolarHBondContact OD1-CB 3.41Å; N265-K268 WeakPolarHBondContact OD1-CG 3.46Å; N265-K268 PolarHBondContact OD1-N 3.27Å; K268-L270 VanDerWaalsContact C-N 3.32Å; K268-L270 PolarHBondContact O-N 3.44Å; K268-Q271 WeakPolarHBondContact O-CB 3.5Å; K268-Q271 PolarHBondContact O-N 2.9Å; K268-L272 WeakPolarHBondContact O-CG 3.28Å; K268-L272 PolarHBondContact O-N 3.12Å |
| 269 | R | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 88 Ų | 88 | 18% | 0.177 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.3 | -169.9 | -170.6 | -59 | 147 | 14.8 | 111.6 | I264 N265 K266 E267 S273 D280 V283 | I264-R269 HydrophobicContact CD1-CB 3.98Å; I264-R269 HydrophobicContact CG1-CB 4.09Å; I264-R269 HydrophobicContact CG2-CB 4.28Å; I264-R269 HydrophobicContact CG2-CG 4.44Å; I264-R269 PolarHBondContact O-NH2 2.79Å; N265-R269 VanDerWaalsContact O-CB 3.25Å; N265-R269 WeakPolarHBondContact O-CB 3.47Å; N265-R269 PolarHBondContact O-N 3.37Å; N265-R269 VanDerWaalsContact O-N 3.14Å; K266-R269 PolarHBondContact O-N 3.17Å; E267-R269 VanDerWaalsContact C-N 3.26Å; E267-R269 PolarHBondContact O-N 3.4Å; R269-S273 VanDerWaalsContact O-CB 3.24Å; R269-S273 WeakPolarHBondContact O-CB 3.21Å; R269-S273 PolarHBondContact O-N 3.21Å; R269-D280 WeakPolarHBondContact CD-OD1 3.23Å; R269-D280 WeakPolarHBondContact CD-OD2 3.15Å; R269-D280 WeakPolarHBondContact CG-OD1 3.5Å; R269-D280 IonicContact NH1-OD2 3.58Å; R269-V283 HydrophobicContact CG-CB 3.92Å; R269-V283 HydrophobicContact CG-CG1 3.77Å |
| 270 | L | 98.4 | Very high | 97.9 | Very high | 73 Ų | 73 | 83.1 Ų | 83.1 | 38% | 0.382 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 176.8 | -171.2 | 62.1 | 0 | 0 | 0 | 111.6 | K266 E267 K268 S273 R274 | K266-L270 PolarHBondContact O-N 3.42Å; K266-L270 VanDerWaalsContact O-N 3.09Å; E267-L270 WeakPolarHBondContact O-CB 3.46Å; E267-L270 PolarHBondContact O-N 3Å; E267-L270 VanDerWaalsContact O-N 3.07Å; K268-L270 VanDerWaalsContact C-N 3.32Å; K268-L270 PolarHBondContact O-N 3.44Å; L270-S273 WeakPolarHBondContact O-CB 3.24Å; L270-S273 PolarHBondContact O-N 2.85Å; L270-R274 WeakPolarHBondContact O-CG 3.47Å; L270-R274 PolarHBondContact O-N 3.31Å; L270-R274 VanDerWaalsContact O-N 3.12Å |
| 271 | Q | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 83.8 Ų | 83.8 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.5 | -50.6 | 174.1 | -172.4 | 178.8 | 5.9 | 0 | 0 | 111.5 | E267 K268 S273 R274 M275 | E267-Q271 PolarHBondContact O-N 3.19Å; K268-Q271 WeakPolarHBondContact O-CB 3.5Å; K268-Q271 PolarHBondContact O-N 2.9Å; Q271-S273 VanDerWaalsContact C-N 3.35Å; Q271-S273 PolarHBondContact O-N 3.48Å; Q271-R274 PolarHBondContact O-N 3.38Å; Q271-M275 WeakPolarHBondContact O-CB 3.5Å; Q271-M275 PolarHBondContact O-N 2.9Å |
| 272 | L | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 82.9 Ų | 82.9 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 177.1 | -73.1 | -178.8 | 0 | 0 | 0 | 112.8 | L254 E257 I264 K268 R274 M275 L276 V283 F287 | L254-L272 HydrophobicContact CD2-CD1 4.12Å; E257-L272 HydrophobicContact CB-CD1 4Å; E257-L272 HydrophobicContact CG-CD1 3.83Å; E257-L272 HydrophobicContact CG-CD2 3.95Å; E257-L272 HydrophobicContact CG-CG 4.27Å; I264-L272 HydrophobicContact CD1-CD1 3.42Å; I264-L272 VanDerWaalsContact CD1-CD1 3.42Å; I264-L272 HydrophobicContact CD1-CG 4.36Å; K268-L272 WeakPolarHBondContact O-CG 3.28Å; K268-L272 PolarHBondContact O-N 3.12Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 3.24Å; L272-M275 HydrophobicContact CD2-CE 3.69Å; L272-M275 PolarHBondContact O-N 3.43Å; L272-L276 HydrophobicContact CD2-CD1 4.29Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 VanDerWaalsContact O-CG 3.32Å; L272-L276 WeakPolarHBondContact O-CG 3.15Å; L272-L276 PolarHBondContact O-N 3.4Å; L272-V283 HydrophobicContact CB-CG1 4.32Å; L272-V283 HydrophobicContact CD1-CG1 4.31Å; L272-F287 HydrophobicContact CD1-CE2 4.2Å |
| 273 | S | 98.5 | Very high | 98 | Very high | 19 Ų | 19 | 80.5 Ų | 80.5 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | R269 L270 Q271 N277 L278 D280 | R269-S273 VanDerWaalsContact O-CB 3.24Å; R269-S273 WeakPolarHBondContact O-CB 3.21Å; R269-S273 PolarHBondContact O-N 3.21Å; L270-S273 WeakPolarHBondContact O-CB 3.24Å; L270-S273 PolarHBondContact O-N 2.85Å; Q271-S273 VanDerWaalsContact C-N 3.35Å; Q271-S273 PolarHBondContact O-N 3.48Å; S273-N277 PolarHBondContact O-N 3.03Å; S273-L278 CarbonylContact C-O 3.4Å; S273-L278 WeakPolarHBondContact CA-O 3.03Å; S273-L278 VanDerWaalsContact CB-O 3.28Å; S273-L278 WeakPolarHBondContact CB-O 3.41Å; S273-L278 PolarHBondContact O-N 3.44Å; S273-L278 PolarHBondContact OG-O 3.33Å; S273-D280 PolarHBondContact OG-N 3.4Å |
| 274 | R | 98.3 | Very high | 98 | Very high | 175 Ų | 175 | 78.1 Ų | 78.1 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.3 | -50.3 | 177.3 | -66.8 | 170.4 | -179.7 | 164.4 | -3.4 | 111.8 | L270 Q271 L272 L276 N277 | L270-R274 WeakPolarHBondContact O-CG 3.47Å; L270-R274 PolarHBondContact O-N 3.31Å; L270-R274 VanDerWaalsContact O-N 3.12Å; Q271-R274 PolarHBondContact O-N 3.38Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 3.24Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 PolarHBondContact O-N 3.46Å; R274-N277 PolarHBondContact O-N 3.49Å |
| 275 | M | 97.9 | Very high | 98.1 | Very high | 85 Ų | 85 | 79.2 Ų | 79.2 | 42% | 0.419 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -34.6 | -175.6 | -170.8 | 178 | 77.8 | 0 | 0 | 113.2 | E253 Q271 L272 | E253-M275 HydrophobicContact CB-CE 4.1Å; E253-M275 HydrophobicContact CG-CE 4.1Å; E253-M275 VanDerWaalsContact OE2-CE 3.27Å; E253-M275 WeakPolarHBondContact OE2-CE 3.39Å; Q271-M275 WeakPolarHBondContact O-CB 3.5Å; Q271-M275 PolarHBondContact O-N 2.9Å; L272-M275 HydrophobicContact CD2-CE 3.69Å; L272-M275 PolarHBondContact O-N 3.43Å |
| 276 | L | 97.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 76.7 Ų | 76.7 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -99.4 | -0.7 | -175.5 | -57.9 | -175.3 | 0 | 0 | 0 | 113.7 | F249 Q250 E253 L254 L272 R274 L278 | F249-L276 HydrophobicContact CD1-CD2 4.14Å; F249-L276 HydrophobicContact CE1-CD2 3.68Å; F249-L276 HydrophobicContact CZ-CD2 4.45Å; Q250-L276 HydrophobicContact CG-CB 4.23Å; Q250-L276 PolarHBondContact NE2-O 3.36Å; E253-L276 HydrophobicContact CB-CD1 4.05Å; E253-L276 HydrophobicContact CB-CD2 3.69Å; E253-L276 HydrophobicContact CB-CG 4.44Å; E253-L276 HydrophobicContact CG-CD2 3.74Å; L254-L276 HydrophobicContact CD1-CD1 4.27Å; L254-L276 HydrophobicContact CD2-CD1 3.91Å; L254-L276 HydrophobicContact CG-CD1 3.66Å; L272-L276 HydrophobicContact CD2-CD1 4.29Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 VanDerWaalsContact O-CG 3.32Å; L272-L276 WeakPolarHBondContact O-CG 3.15Å; L272-L276 PolarHBondContact O-N 3.4Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 PolarHBondContact O-N 3.46Å; L276-L278 HydrophobicContact CB-CD1 4.11Å; L276-L278 HydrophobicContact CB-CG 4.03Å; L276-L278 HydrophobicContact CD1-CD1 4.42Å; L276-L278 PolarHBondContact O-N 2.89Å |
| 277 | N | 98.1 | Very high | 98.1 | Very high | 145 Ų | 145 | 68.7 Ų | 68.7 | 78% | 0.775 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 44.1 | -171.7 | -63.8 | -57.7 | 0 | 0 | 0 | 112.4 | S273 R274 | S273-N277 PolarHBondContact O-N 3.03Å; R274-N277 PolarHBondContact O-N 3.49Å |
| 278 | L | 97.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | trans | -115 | 149.8 | 175.6 | -65 | -179.8 | 0 | 0 | 0 | 109.2 | Y246 L254 S273 L276 Q282 V283 | Y246-L278 HydrophobicContact CD1-CD1 4.3Å; Y246-L278 HydrophobicContact CD1-CD2 3.89Å; Y246-L278 HydrophobicContact CE1-CD1 4.19Å; Y246-L278 HydrophobicContact CE1-CD2 3.69Å; L254-L278 HydrophobicContact CD1-CD1 4.15Å; S273-L278 CarbonylContact C-O 3.4Å; S273-L278 WeakPolarHBondContact CA-O 3.03Å; S273-L278 VanDerWaalsContact CB-O 3.28Å; S273-L278 WeakPolarHBondContact CB-O 3.41Å; S273-L278 PolarHBondContact O-N 3.44Å; S273-L278 PolarHBondContact OG-O 3.33Å; L276-L278 HydrophobicContact CB-CD1 4.11Å; L276-L278 HydrophobicContact CB-CG 4.03Å; L276-L278 HydrophobicContact CD1-CD1 4.42Å; L276-L278 PolarHBondContact O-N 2.89Å; L278-Q282 HydrophobicContact CB-CB 4.3Å; L278-V283 HydrophobicContact CB-CG2 4.07Å | ||
| 279 | T | 98.1 | Very high | 98.1 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | trans | -69.1 | 150.5 | 172 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | R281 Q282 V283 | T279-R281 PolarHBondContact O-N 3.47Å; T279-R281 VanDerWaalsContact O-N 3.11Å; T279-Q282 WeakPolarHBondContact O-CA 3.28Å; T279-Q282 WeakPolarHBondContact O-CB 3.49Å; T279-Q282 PolarHBondContact O-N 3.09Å; T279-Q282 WeakPolarHBondContact OG1-CB 3.5Å; T279-Q282 VanDerWaalsContact OG1-CG 3.22Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.44Å; T279-Q282 PolarHBondContact OG1-N 3.18Å; T279-Q282 PolarHBondContact OG1-OE1 3.29Å; T279-V283 PolarHBondContact O-N 2.9Å; T279-V283 VanDerWaalsContact O-N 3.09Å | ||
| 280 | D | 98.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -47 | -43.3 | 172.7 | -177 | 89.3 | 0 | 0 | 0 | 111.8 | R269 S273 Q282 V283 K284 | R269-D280 WeakPolarHBondContact CD-OD1 3.23Å; R269-D280 WeakPolarHBondContact CD-OD2 3.15Å; R269-D280 WeakPolarHBondContact CG-OD1 3.5Å; R269-D280 IonicContact NH1-OD2 3.58Å; S273-D280 PolarHBondContact OG-N 3.4Å; D280-Q282 PolarHBondContact O-N 3.4Å; D280-V283 PolarHBondContact O-N 2.94Å; D280-K284 WeakPolarHBondContact O-CB 3.41Å; D280-K284 PolarHBondContact O-N 3.32Å |
| 281 | R | 97.6 | Very high | 98.1 | Very high | 175 Ų | 175 | 66.3 Ų | 66.3 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 177.5 | -174.3 | 175.1 | -178.6 | -80.9 | -2.6 | 112.5 | T279 K284 I285 | T279-R281 PolarHBondContact O-N 3.47Å; T279-R281 VanDerWaalsContact O-N 3.11Å; R281-K284 PolarHBondContact O-N 3.46Å; R281-I285 HydrophobicContact CG-CD1 3.84Å; R281-I285 HydrophobicContact CG-CG1 4.46Å; R281-I285 VanDerWaalsContact NH1-CD1 3.26Å; R281-I285 WeakPolarHBondContact O-CB 3.33Å; R281-I285 VanDerWaalsContact O-CG1 3.23Å; R281-I285 WeakPolarHBondContact O-CG1 3.49Å; R281-I285 PolarHBondContact O-N 2.78Å |
| 282 | Q | 97.9 | Very high | 98.1 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177 | -79.4 | 165.8 | -53.6 | 0 | 0 | 111.4 | L278 T279 D280 K284 I285 W286 | L278-Q282 HydrophobicContact CB-CB 4.3Å; T279-Q282 WeakPolarHBondContact O-CA 3.28Å; T279-Q282 WeakPolarHBondContact O-CB 3.49Å; T279-Q282 PolarHBondContact O-N 3.09Å; T279-Q282 WeakPolarHBondContact OG1-CB 3.5Å; T279-Q282 VanDerWaalsContact OG1-CG 3.22Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.44Å; T279-Q282 PolarHBondContact OG1-N 3.18Å; T279-Q282 PolarHBondContact OG1-OE1 3.29Å; D280-Q282 PolarHBondContact O-N 3.4Å; Q282-K284 VanDerWaalsContact C-N 3.35Å; Q282-K284 PolarHBondContact O-N 3.47Å; Q282-I285 PolarHBondContact O-N 3.07Å; Q282-W286 WeakPolarHBondContact O-CB 3.23Å; Q282-W286 PolarHBondContact O-N 3.42Å |
| 283 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | L254 I264 R269 L272 L278 T279 D280 I285 W286 F287 | L254-V283 HydrophobicContact CD2-CG1 4.06Å; I264-V283 HydrophobicContact CD1-CG1 4.05Å; R269-V283 HydrophobicContact CG-CB 3.92Å; R269-V283 HydrophobicContact CG-CG1 3.77Å; L272-V283 HydrophobicContact CB-CG1 4.32Å; L272-V283 HydrophobicContact CD1-CG1 4.31Å; L278-V283 HydrophobicContact CB-CG2 4.07Å; T279-V283 PolarHBondContact O-N 2.9Å; T279-V283 VanDerWaalsContact O-N 3.09Å; D280-V283 PolarHBondContact O-N 2.94Å; V283-I285 PolarHBondContact O-N 3.09Å; V283-W286 PolarHBondContact O-N 2.86Å; V283-F287 HydrophobicContact CG1-CD2 4.06Å; V283-F287 HydrophobicContact CG1-CE2 4.11Å; V283-F287 WeakPolarHBondContact O-CD2 3.43Å; V283-F287 PolarHBondContact O-N 3.04Å |
| 284 | K | 98.1 | Very high | 97.9 | Very high | 99 Ų | 99 | 75.4 Ų | 75.4 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 175.9 | -176.6 | 178.7 | 178.6 | 179.4 | 0 | 112.4 | D280 R281 Q282 F287 Q288 | D280-K284 WeakPolarHBondContact O-CB 3.41Å; D280-K284 PolarHBondContact O-N 3.32Å; R281-K284 PolarHBondContact O-N 3.46Å; Q282-K284 VanDerWaalsContact C-N 3.35Å; Q282-K284 PolarHBondContact O-N 3.47Å; K284-F287 PolarHBondContact O-N 3.25Å; K284-Q288 WeakPolarHBondContact O-CG 3.25Å; K284-Q288 PolarHBondContact O-N 3.08Å; K284-Q288 VanDerWaalsContact O-N 3.12Å |
| 285 | I | 98.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 73.5 Ų | 73.5 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 178.4 | -72.4 | 168.8 | 0 | 0 | 0 | 110.8 | R281 Q282 V283 F287 Q288 N289 | R281-I285 HydrophobicContact CG-CD1 3.84Å; R281-I285 HydrophobicContact CG-CG1 4.46Å; R281-I285 VanDerWaalsContact NH1-CD1 3.26Å; R281-I285 WeakPolarHBondContact O-CB 3.33Å; R281-I285 VanDerWaalsContact O-CG1 3.23Å; R281-I285 WeakPolarHBondContact O-CG1 3.49Å; R281-I285 PolarHBondContact O-N 2.78Å; Q282-I285 PolarHBondContact O-N 3.07Å; V283-I285 PolarHBondContact O-N 3.09Å; I285-F287 PolarHBondContact O-N 3.2Å; I285-Q288 WeakPolarHBondContact O-CB 3.39Å; I285-Q288 PolarHBondContact O-N 2.99Å; I285-N289 WeakPolarHBondContact O-CB 2.99Å; I285-N289 VanDerWaalsContact O-CG 3.3Å; I285-N289 PolarHBondContact O-N 2.97Å; I285-N289 PolarHBondContact O-ND2 3.35Å |
| 286 | W | 98.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 75.4 Ų | 75.4 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 177.6 | -171.9 | 100.7 | 0 | 0 | 0 | 111.2 | Y246 L254 E255 F258 Q282 V283 Q288 N289 R290 | Y246-W286 AromaticContact CD2-CD1 3.76Å; Y246-W286 AromaticContact CE2-CD1 3.61Å; Y246-W286 HydrophobicContact CE2-CG 4.5Å; L254-W286 VanDerWaalsContact C-CH2 3.45Å; L254-W286 HydrophobicContact CB-CD2 3.83Å; L254-W286 HydrophobicContact CB-CE3 3.81Å; L254-W286 HydrophobicContact CB-CH2 3.59Å; L254-W286 HydrophobicContact CB-CZ2 3.58Å; L254-W286 HydrophobicContact CB-CZ3 3.7Å; L254-W286 HydrophobicContact CD1-CB 4.43Å; L254-W286 HydrophobicContact CD1-CD2 3.8Å; L254-W286 HydrophobicContact CD1-CE3 4.46Å; L254-W286 HydrophobicContact CD1-CG 3.74Å; L254-W286 HydrophobicContact CD2-CD2 4.35Å; L254-W286 HydrophobicContact CD2-CE3 4.25Å; L254-W286 HydrophobicContact CG-CD2 4.21Å; L254-W286 HydrophobicContact CG-CE3 4.4Å; L254-W286 WeakPolarHBondContact O-CH2 3.41Å; L254-W286 WeakPolarHBondContact O-CZ3 3.42Å; E255-W286 HydrophobicContact CG-CH2 3.89Å; E255-W286 HydrophobicContact CG-CZ2 3.89Å; F258-W286 HydrophobicContact CB-CH2 4.34Å; F258-W286 HydrophobicContact CB-CZ3 4.12Å; F258-W286 HydrophobicContact CD2-CZ3 4.43Å; Q282-W286 WeakPolarHBondContact O-CB 3.23Å; Q282-W286 PolarHBondContact O-N 3.42Å; V283-W286 PolarHBondContact O-N 2.86Å; W286-Q288 VanDerWaalsContact C-N 3.32Å; W286-Q288 PolarHBondContact O-N 3.11Å; W286-N289 PolarHBondContact O-N 3.05Å; W286-R290 HydrophobicContact CD2-CB 4.46Å; W286-R290 HydrophobicContact CE3-CB 3.97Å; W286-R290 HydrophobicContact CE3-CG 4.49Å; W286-R290 HydrophobicContact CH2-CB 4Å; W286-R290 HydrophobicContact CH2-CG 3.69Å; W286-R290 HydrophobicContact CZ2-CG 4.42Å; W286-R290 HydrophobicContact CZ3-CB 3.72Å; W286-R290 HydrophobicContact CZ3-CG 3.75Å; W286-R290 WeakPolarHBondContact O-CB 3.36Å; W286-R290 PolarHBondContact O-N 3.14Å |
| 287 | F | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 79.8 Ų | 79.8 | 2% | 0.022 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 176.6 | -90.5 | -98.9 | 0 | 0 | 0 | 112.8 | L254 E257 F258 I264 L272 V283 K284 I285 R291 | L254-F287 HydrophobicContact CD2-CE2 4.12Å; E257-F287 HydrophobicContact CB-CZ 4.21Å; F258-F287 HydrophobicContact CB-CE1 4.24Å; F258-F287 AromaticContact CD2-CD1 3.91Å; F258-F287 HydrophobicContact CD2-CD1 3.91Å; F258-F287 AromaticContact CD2-CE1 3.91Å; F258-F287 HydrophobicContact CD2-CE1 3.91Å; I264-F287 HydrophobicContact CB-CD1 3.89Å; I264-F287 HydrophobicContact CB-CD2 4.21Å; I264-F287 HydrophobicContact CB-CE1 3.73Å; I264-F287 HydrophobicContact CB-CE2 4.07Å; I264-F287 HydrophobicContact CB-CG 4.13Å; I264-F287 HydrophobicContact CB-CZ 3.83Å; I264-F287 HydrophobicContact CD1-CD2 4.28Å; I264-F287 HydrophobicContact CD1-CE2 3.6Å; I264-F287 HydrophobicContact CD1-CZ 3.74Å; I264-F287 HydrophobicContact CG1-CE2 4.41Å; I264-F287 HydrophobicContact CG1-CZ 4.23Å; I264-F287 HydrophobicContact CG2-CB 4.32Å; I264-F287 HydrophobicContact CG2-CD1 4.02Å; I264-F287 HydrophobicContact CG2-CD2 3.88Å; I264-F287 HydrophobicContact CG2-CE1 4.33Å; I264-F287 HydrophobicContact CG2-CE2 4.2Å; I264-F287 HydrophobicContact CG2-CG 3.79Å; I264-F287 HydrophobicContact CG2-CZ 4.42Å; L272-F287 HydrophobicContact CD1-CE2 4.2Å; V283-F287 HydrophobicContact CG1-CD2 4.06Å; V283-F287 HydrophobicContact CG1-CE2 4.11Å; V283-F287 WeakPolarHBondContact O-CD2 3.43Å; V283-F287 PolarHBondContact O-N 3.04Å; K284-F287 PolarHBondContact O-N 3.25Å; I285-F287 PolarHBondContact O-N 3.2Å; F287-R291 WeakPolarHBondContact O-CG 3.4Å; F287-R291 PolarHBondContact O-N 2.99Å; F287-R291 PolarHBondContact O-NE 3.07Å |
| 288 | Q | 98.4 | Very high | 96.8 | Very high | 84 Ų | 84 | 75.9 Ų | 75.9 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 172.7 | -71.6 | 173.7 | 5.3 | 0 | 0 | 111.3 | K284 I285 W286 R290 R291 M292 | K284-Q288 WeakPolarHBondContact O-CG 3.25Å; K284-Q288 PolarHBondContact O-N 3.08Å; K284-Q288 VanDerWaalsContact O-N 3.12Å; I285-Q288 WeakPolarHBondContact O-CB 3.39Å; I285-Q288 PolarHBondContact O-N 2.99Å; W286-Q288 VanDerWaalsContact C-N 3.32Å; W286-Q288 PolarHBondContact O-N 3.11Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 3.47Å; Q288-R291 PolarHBondContact O-N 3.5Å; Q288-M292 WeakPolarHBondContact O-CG 3.18Å; Q288-M292 PolarHBondContact O-N 3.16Å; Q288-M292 VanDerWaalsContact O-N 3.11Å |
| 289 | N | 98.1 | Very high | 96.2 | Very high | 101 Ų | 101 | 82.7 Ų | 82.7 | 54% | 0.54 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 178.6 | -69.6 | -20.2 | 0 | 0 | 0 | 111.9 | I285 W286 M292 K293 | I285-N289 WeakPolarHBondContact O-CB 2.99Å; I285-N289 VanDerWaalsContact O-CG 3.3Å; I285-N289 PolarHBondContact O-N 2.97Å; I285-N289 PolarHBondContact O-ND2 3.35Å; W286-N289 PolarHBondContact O-N 3.05Å; N289-M292 PolarHBondContact O-N 3.15Å; N289-K293 PolarHBondContact O-N 3.34Å |
| 290 | R | 98.2 | Very high | 95.5 | Very high | 38 Ų | 38 | 81.1 Ų | 81.1 | 14% | 0.143 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | -179.8 | -177 | 61.2 | -174 | 74.3 | 4.3 | 112.2 | F258 W286 Q288 K293 E294 | F258-R290 HydrophobicContact CD1-CG 3.89Å; F258-R290 HydrophobicContact CD2-CB 4.18Å; F258-R290 HydrophobicContact CD2-CG 3.55Å; F258-R290 HydrophobicContact CE1-CG 3.95Å; F258-R290 HydrophobicContact CE2-CB 4.12Å; F258-R290 HydrophobicContact CE2-CG 3.61Å; F258-R290 HydrophobicContact CG-CG 3.69Å; F258-R290 HydrophobicContact CZ-CG 3.81Å; W286-R290 HydrophobicContact CD2-CB 4.46Å; W286-R290 HydrophobicContact CE3-CB 3.97Å; W286-R290 HydrophobicContact CE3-CG 4.49Å; W286-R290 HydrophobicContact CH2-CB 4Å; W286-R290 HydrophobicContact CH2-CG 3.69Å; W286-R290 HydrophobicContact CZ2-CG 4.42Å; W286-R290 HydrophobicContact CZ3-CB 3.72Å; W286-R290 HydrophobicContact CZ3-CG 3.75Å; W286-R290 WeakPolarHBondContact O-CB 3.36Å; W286-R290 PolarHBondContact O-N 3.14Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 3.47Å; R290-K293 PolarHBondContact O-N 3.31Å; R290-E294 IonicContact NH1-OE1 3.79Å; R290-E294 PolarHBondContact O-N 3.49Å |
| 291 | R | 98 | Very high | 94.8 | Very high | 77 Ų | 77 | 87.2 Ų | 87.2 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 172.8 | -72 | -175.3 | -69.2 | 141.6 | -6 | 112.3 | F258 V262 F287 Q288 K293 E294 K295 | F258-R291 HydrophobicContact CE2-CG 3.72Å; F258-R291 HydrophobicContact CZ-CG 4.11Å; V262-R291 HydrophobicContact CG1-CG 3.74Å; F287-R291 WeakPolarHBondContact O-CG 3.4Å; F287-R291 PolarHBondContact O-N 2.99Å; F287-R291 PolarHBondContact O-NE 3.07Å; Q288-R291 PolarHBondContact O-N 3.5Å; R291-K293 VanDerWaalsContact C-N 3.33Å; R291-K293 PolarHBondContact O-N 3.37Å; R291-E294 PolarHBondContact O-N 3.14Å; R291-K295 PolarHBondContact O-N 3.06Å |
| 292 | M | 97.9 | Very high | 93.7 | Very high | 114 Ų | 114 | 84.8 Ų | 84.8 | 56% | 0.562 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 175.9 | -67.1 | -60.1 | -75.6 | 0 | 0 | 111.8 | Q288 N289 K296 | Q288-M292 WeakPolarHBondContact O-CG 3.18Å; Q288-M292 PolarHBondContact O-N 3.16Å; Q288-M292 VanDerWaalsContact O-N 3.11Å; N289-M292 PolarHBondContact O-N 3.15Å; M292-K296 WeakPolarHBondContact O-CB 3.46Å; M292-K296 PolarHBondContact O-N 2.92Å |
| 293 | K | 96.3 | Very high | 92.3 | Very high | 125 Ų | 125 | 87.8 Ų | 87.8 | 54% | 0.543 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175 | -172.2 | -179.6 | 179.3 | -174.3 | 0 | 111.6 | N289 R290 R291 K296 L297 | N289-K293 PolarHBondContact O-N 3.34Å; R290-K293 PolarHBondContact O-N 3.31Å; R291-K293 VanDerWaalsContact C-N 3.33Å; R291-K293 PolarHBondContact O-N 3.37Å; K293-K296 PolarHBondContact O-N 3.41Å; K293-L297 HydrophobicContact CG-CD1 4.06Å; K293-L297 HydrophobicContact CG-CG 4.48Å; K293-L297 WeakPolarHBondContact O-CB 3.4Å; K293-L297 VanDerWaalsContact O-CG 3.28Å; K293-L297 WeakPolarHBondContact O-CG 3.48Å; K293-L297 PolarHBondContact O-N 3.43Å |
| 294 | E | 95.7 | Very high | 90.5 | Very high | 69 Ų | 69 | 97.2 Ų | 97.2 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.4 | -51.7 | 175.9 | -175.3 | 162 | -100.7 | 0 | 0 | 112.2 | F258 R290 R291 K296 L297 S298 | F258-E294 WeakPolarHBondContact CE1-OE1 3.08Å; F258-E294 WeakPolarHBondContact CZ-OE2 3.48Å; R290-E294 IonicContact NH1-OE1 3.79Å; R290-E294 PolarHBondContact O-N 3.49Å; R291-E294 PolarHBondContact O-N 3.14Å; E294-K296 PolarHBondContact O-N 3.17Å; E294-L297 PolarHBondContact O-N 3.22Å; E294-L297 VanDerWaalsContact O-N 3.08Å; E294-S298 PolarHBondContact O-N 2.96Å; E294-S298 PolarHBondContact O-OG 3.17Å; E294-S298 VanDerWaalsContact O-OG 3.14Å |
| 295 | K | 95.3 | Very high | 88.6 | Confident | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.9 | -40.5 | 177.6 | -173.5 | 176.7 | 67.6 | 174.2 | 0 | 111.7 | R291 R299 | R291-K295 PolarHBondContact O-N 3.06Å; K295-R299 WeakPolarHBondContact O-CB 3.37Å; K295-R299 PolarHBondContact O-N 3.32Å; K295-R299 VanDerWaalsContact O-N 3.08Å |
| 296 | K | 94.1 | Very high | 86.8 | Confident | 124 Ų | 124 | 103.3 Ų | 103.3 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 176.1 | -173.7 | 177.6 | 178.5 | -177.1 | 0 | 111.2 | M292 K293 E294 S298 R299 D300 | M292-K296 WeakPolarHBondContact O-CB 3.46Å; M292-K296 PolarHBondContact O-N 2.92Å; K293-K296 PolarHBondContact O-N 3.41Å; E294-K296 PolarHBondContact O-N 3.17Å; K296-S298 VanDerWaalsContact C-N 3.34Å; K296-S298 PolarHBondContact O-N 2.98Å; K296-R299 PolarHBondContact O-N 2.95Å; K296-D300 WeakPolarHBondContact O-CB 3.5Å; K296-D300 PolarHBondContact O-N 3.15Å |
| 297 | L | 91.4 | Very high | 84.5 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.7 | -71.3 | 169.3 | 0 | 0 | 0 | 112.3 | K293 E294 R301 | K293-L297 HydrophobicContact CG-CD1 4.06Å; K293-L297 HydrophobicContact CG-CG 4.48Å; K293-L297 WeakPolarHBondContact O-CB 3.4Å; K293-L297 VanDerWaalsContact O-CG 3.28Å; K293-L297 WeakPolarHBondContact O-CG 3.48Å; K293-L297 PolarHBondContact O-N 3.43Å; E294-L297 PolarHBondContact O-N 3.22Å; E294-L297 VanDerWaalsContact O-N 3.08Å; L297-R301 VanDerWaalsContact O-CB 3.23Å; L297-R301 WeakPolarHBondContact O-CB 3.38Å; L297-R301 PolarHBondContact O-N 3.25Å |
| 298 | S | 88.4 | Confident | 81.8 | Confident | 64 Ų | 64 | 110.6 Ų | 110.6 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | E294 K296 L302 | E294-S298 PolarHBondContact O-N 2.96Å; E294-S298 PolarHBondContact O-OG 3.17Å; E294-S298 VanDerWaalsContact O-OG 3.14Å; K296-S298 VanDerWaalsContact C-N 3.34Å; K296-S298 PolarHBondContact O-N 2.98Å; S298-L302 WeakPolarHBondContact O-CG 3.48Å; S298-L302 PolarHBondContact O-N 3.02Å; S298-L302 VanDerWaalsContact O-N 3.07Å |
| 299 | R | 85 | Confident | 79.7 | Confident | 153 Ų | 153 | 112.2 Ų | 112.2 | 58% | 0.577 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -47.2 | 176 | -174.8 | -169.8 | 67.5 | 152.8 | 6.9 | 111.7 | K295 K296 R301 L302 Q303 | K295-R299 WeakPolarHBondContact O-CB 3.37Å; K295-R299 PolarHBondContact O-N 3.32Å; K295-R299 VanDerWaalsContact O-N 3.08Å; K296-R299 PolarHBondContact O-N 2.95Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.17Å; R299-L302 PolarHBondContact O-N 2.89Å; R299-Q303 WeakPolarHBondContact O-CG 3.43Å; R299-Q303 PolarHBondContact O-N 2.9Å |
| 300 | D | 84.3 | Confident | 77.1 | Confident | 47 Ų | 47 | 114.2 Ų | 114.2 | 25% | 0.251 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -40.7 | -178.4 | -64.6 | -5.1 | 0 | 0 | 0 | 109.4 | K296 L302 Q303 Y304 | K296-D300 WeakPolarHBondContact O-CB 3.5Å; K296-D300 PolarHBondContact O-N 3.15Å; D300-L302 PolarHBondContact O-N 3.1Å; D300-Q303 WeakPolarHBondContact O-CB 3.38Å; D300-Q303 PolarHBondContact O-N 3.14Å; D300-Y304 WeakPolarHBondContact O-CD2 3.33Å; D300-Y304 PolarHBondContact O-N 3.23Å |
| 301 | R | 82.6 | Confident | 74.4 | Confident | 188 Ų | 188 | 124.2 Ų | 124.2 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.9 | -40.7 | 173.8 | -174 | -177.2 | -66.2 | -91 | 2 | 113 | L297 R299 Y304 F305 | L297-R301 VanDerWaalsContact O-CB 3.23Å; L297-R301 WeakPolarHBondContact O-CB 3.38Å; L297-R301 PolarHBondContact O-N 3.25Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.17Å; R301-Y304 PolarHBondContact O-N 3.32Å; R301-F305 PolarHBondContact O-N 3.36Å |
| 302 | L | 74.1 | Confident | 73.2 | Confident | 123 Ų | 123 | 126.6 Ų | 126.6 | 64% | 0.644 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.5 | -38.2 | 175.7 | -74.1 | 169.5 | 0 | 0 | 0 | 112 | S298 R299 D300 F305 S306 | S298-L302 WeakPolarHBondContact O-CG 3.48Å; S298-L302 PolarHBondContact O-N 3.02Å; S298-L302 VanDerWaalsContact O-N 3.07Å; R299-L302 PolarHBondContact O-N 2.89Å; D300-L302 PolarHBondContact O-N 3.1Å; L302-F305 PolarHBondContact O-N 3.15Å; L302-F305 VanDerWaalsContact O-N 3.16Å; L302-S306 PolarHBondContact O-N 3.34Å; L302-S306 PolarHBondContact O-OG 3.37Å |
| 303 | Q | 69.9 | Low | 71.9 | Confident | 128 Ų | 128 | 127.2 Ų | 127.2 | 60% | 0.598 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65 | -39 | 175.8 | -70.5 | -74 | -26.6 | 0 | 0 | 112.1 | R299 D300 F305 G307 | R299-Q303 WeakPolarHBondContact O-CG 3.43Å; R299-Q303 PolarHBondContact O-N 2.9Å; D300-Q303 WeakPolarHBondContact O-CB 3.38Å; D300-Q303 PolarHBondContact O-N 3.14Å; Q303-F305 PolarHBondContact O-N 3.5Å; Q303-G307 PolarHBondContact O-N 2.97Å |
| 304 | Y | 59.8 | Low | 70.6 | Confident | 199 Ų | 199 | 127.3 Ų | 127.3 | 78% | 0.78 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.9 | -21.3 | 173.5 | -75.3 | -71 | 0 | 0 | 0 | 113.7 | D300 R301 | D300-Y304 WeakPolarHBondContact O-CD2 3.33Å; D300-Y304 PolarHBondContact O-N 3.23Å; R301-Y304 PolarHBondContact O-N 3.32Å |
| 305 | F | 58.9 | Low | 69.1 | Low | 179 Ų | 179 | 130.8 Ų | 130.8 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -96.8 | -27.6 | 179.3 | -125.1 | -86.1 | 0 | 0 | 0 | 113.4 | R301 L302 Q303 | R301-F305 PolarHBondContact O-N 3.36Å; L302-F305 PolarHBondContact O-N 3.15Å; L302-F305 VanDerWaalsContact O-N 3.16Å; Q303-F305 PolarHBondContact O-N 3.5Å |
| 306 | S | 59.6 | Low | 67.4 | Low | 93 Ų | 93 | 130.4 Ų | 130.4 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -91.6 | -17 | 176.7 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | L302 N308 | L302-S306 PolarHBondContact O-N 3.34Å; L302-S306 PolarHBondContact O-OG 3.37Å; S306-N308 PolarHBondContact O-N 3.12Å |
| 307 | G | 49.5 | Very low | 65.7 | Low | 44 Ų | 44 | 130.9 Ų | 130.9 | 45% | 0.454 | 66% | 0.664 | S | S | . | * | trans | -81.5 | 83.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | Q303 P309 | Q303-G307 PolarHBondContact O-N 2.97Å; G307-P309 WeakPolarHBondContact O-CD 3.4Å | ||
| 308 | N | 41.8 | Very low | 63.8 | Low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | trans | -82 | 105.4 | 153.7 | -105.6 | -9.9 | 0 | 0 | 0 | 107.1 | S306 L310 | S306-N308 PolarHBondContact O-N 3.12Å; N308-L310 PolarHBondContact O-N 3.1Å | ||
| 309 | P | 54.6 | Low | 61.9 | Low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | trans | -90.5 | 39 | 168.8 | 39.9 | -36.1 | 0 | 0 | 0 | 110.4 | G307 | G307-P309 WeakPolarHBondContact O-CD 3.4Š| ||
| 310 | L | 44 | Very low | 60 | Low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | -144 | 82.7 | 177.2 | -71.5 | 178.5 | 0 | 0 | 0 | 108.4 | N308 | N308-L310 PolarHBondContact O-N 3.1Š| ||
| 311 | L | 41 | Very low | 57.8 | Low | 247 Ų | 247 | 145.7 Ų | 145.7 | 100% | 1.293 | 74% | 0.744 | S | S | * | * | trans | -163.6 | 0 | 143.6 | -97.6 | 170.2 | 0 | 0 | 0 | 107.6 |
Retrieved 311 of 311 residues in 83.9 ms
(Link to these results)