| 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 | 32.8 | Very low | 43.7 | Very low | 241 Ų | 241 | 165.7 Ų | 165.7 | 100% | 1.187 | 83% | 0.833 | S | S | * | * | 0 | 98.2 | 0 | -78.1 | 162.8 | 165.9 | 0 | 0 | 107.3 | |||||
| 2 | N | 40.2 | Very low | 43.2 | Very low | 158 Ų | 158 | 164.7 Ų | 164.7 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -110 | 121.9 | -179.6 | -72.6 | -0.8 | 0 | 0 | 0 | 109 | ||||
| 3 | N | 37.7 | Very low | 42.6 | Very low | 154 Ų | 154 | 164.2 Ų | 164.2 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -80.7 | 117.6 | -177.3 | -167.8 | -7.9 | 0 | 0 | 0 | 109.2 | ||||
| 4 | L | 48.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 161.4 Ų | 161.4 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -94.3 | 22.2 | -171.1 | -87.4 | 160.6 | 0 | 0 | 0 | 114.2 | ||||
| 5 | N | 50.2 | Low | 41.8 | Very low | 140 Ų | 140 | 161.9 Ų | 161.9 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | trans | -109 | 84.2 | 177.3 | -97.3 | -13.7 | 0 | 0 | 0 | 111.6 | ||||
| 6 | N | 47.3 | Very low | 41.8 | Very low | 158 Ų | 158 | 163.8 Ų | 163.8 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -166.1 | 116 | 153 | -94.9 | -27.1 | 0 | 0 | 0 | 111.1 | ||||
| 7 | P | 45.6 | Very low | 41.2 | Very low | 112 Ų | 112 | 158.4 Ų | 158.4 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 154 | 169 | 32.2 | -30 | 0 | 0 | 0 | 111.3 | R9 | P7-R9 PolarHBondContact O-N 3.23Š|
| 8 | P | 48.5 | Very low | 40.5 | Very low | 112 Ų | 112 | 156.6 Ų | 156.6 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 129.6 | -178.9 | 13.6 | -6.8 | 0 | 0 | 0 | 111.6 | W10 | P8-W10 PolarHBondContact O-N 3.2Š|
| 9 | R | 44.3 | Very low | 39.9 | Very low | 229 Ų | 229 | 152.1 Ų | 152.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.2 | 174.5 | -67.8 | -178 | -179.7 | -173.3 | -0.3 | 110.2 | P7 | P7-R9 PolarHBondContact O-N 3.23Š|
| 10 | W | 42 | Very low | 39.3 | Very low | 232 Ų | 232 | 152.9 Ų | 152.9 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -92.5 | 104.9 | 164.5 | -77.4 | 77.8 | 0 | 0 | 0 | 108.9 | P8 | P8-W10 PolarHBondContact O-N 3.2Š| ||
| 11 | N | 44.2 | Very low | 38.9 | Very low | 121 Ų | 121 | 150 Ų | 150 | 65% | 0.647 | 83% | 0.825 | S | S | * | * | trans | -90.7 | 117.8 | 172.4 | -78.5 | -11 | 0 | 0 | 0 | 109.4 | ||||
| 12 | I | 37.5 | Very low | 38.8 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -125.7 | 112.3 | 159 | -58.2 | 177.6 | 0 | 0 | 0 | 106.5 | ||||
| 13 | H | 35.2 | Very low | 38.4 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 133 | 170.4 | -68 | -35.5 | 0 | 0 | 0 | 109 | ||
| 14 | P | 37.8 | Very low | 38 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 121.9 | 166.1 | 29.8 | -25.1 | 0 | 0 | 0 | 109.4 | ||
| 15 | N | 35.1 | Very low | 37.2 | Very low | 168 Ų | 168 | 140 Ų | 140 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.2 | 176.3 | -141.9 | 11.4 | 0 | 0 | 0 | 109.7 | ||
| 16 | Q | 42.3 | Very low | 36.4 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 139.9 | 169.5 | -81.2 | 176.9 | -2.4 | 0 | 0 | 110.3 | ||
| 17 | G | 31.2 | Very low | 35.7 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 172.3 | 133.1 | 163 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 18 | S | 28.8 | Very low | 35 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | cis | 178.2 | 149.7 | 3.4 | 42.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 19 | G | 29.2 | Very low | 34.4 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | 108.8 | 93.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 20 | D | 28.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | 63 | 144.5 | 118.4 | -97.3 | -23.1 | 0 | 0 | 0 | 124.9 | |||||
| 21 | A | 31 | Very low | 33.5 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | 78.8 | 100.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 22 | G | 30.1 | Very low | 33.5 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | 77.4 | 120 | 99.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 23 | A | 30.7 | Very low | 33.8 | Very low | 95 Ų | 95 | 119.6 Ų | 119.6 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | 85.6 | 116.2 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 24 | R | 30.4 | Very low | 34.3 | Very low | 254 Ų | 254 | 120.8 Ų | 120.8 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | trans | 52.6 | 124.4 | 131.6 | -78.2 | 175.8 | 156.1 | 159.8 | -6.1 | 119 | ||||
| 25 | G | 30.1 | Very low | 34.8 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 175.2 | 106.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 26 | D | 33.5 | Very low | 35.6 | Very low | 167 Ų | 167 | 122.3 Ų | 122.3 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -62 | 177.5 | 179.3 | -134.9 | -30.8 | 0 | 0 | 0 | 115 | ||||
| 27 | A | 33.6 | Very low | 36 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 79.9 | 125.8 | 167 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 28 | G | 30.2 | Very low | 37.2 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | 136.7 | 119.5 | 28.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 29 | A | 35.8 | Very low | 38.4 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 26.9 | 116.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 30 | G | 34.9 | Very low | 39.7 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | 86.9 | 127.4 | 121.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 31 | G | 33.5 | Very low | 41.3 | Very low | 82 Ų | 82 | 118.4 Ų | 118.4 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 128 | 99.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 32 | G | 43 | Very low | 43 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | -68.8 | 160.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 33 | N | 44.6 | Very low | 44.6 | Very low | 147 Ų | 147 | 119.5 Ų | 119.5 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -164.4 | 108.9 | 148.7 | -104.5 | -19.7 | 0 | 0 | 0 | 114.6 | W35 | N33-W35 PolarHBondContact O-N 3.47Š| ||
| 34 | K | 45.1 | Very low | 46.4 | Very low | 184 Ų | 184 | 120.4 Ų | 120.4 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | S | Bend | 55.5 | -1.6 | 128.1 | -94.4 | 177.3 | 175.8 | 179.3 | 0 | 125.4 | |||
| 35 | W | 49.1 | Very low | 48.4 | Very low | 210 Ų | 210 | 110.3 Ų | 110.3 | 80% | 0.795 | 70% | 0.696 | S | S | * | * | trans | -111.7 | 3 | -179.4 | -74 | 104.3 | 0 | 0 | 0 | 117.9 | N33 | N33-W35 PolarHBondContact O-N 3.47Š| ||
| 36 | N | 51.1 | Low | 50.3 | Low | 115 Ų | 115 | 111.8 Ų | 111.8 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -83.6 | -16 | -178.5 | -140.1 | -5.2 | 0 | 0 | 0 | 114.4 | L40 | N36-L40 HydrophobicContact CB-CD1 4.38Å; N36-L40 WeakPolarHBondContact O-CB 3.41Å; N36-L40 VanDerWaalsContact O-CD1 3.29Å; N36-L40 WeakPolarHBondContact O-CD1 3.48Å; N36-L40 VanDerWaalsContact O-CG 3.25Å; N36-L40 WeakPolarHBondContact O-CG 3.46Å; N36-L40 PolarHBondContact O-N 3.29Å |
| 37 | Y | 51.6 | Low | 52.3 | Low | 180 Ų | 180 | 106.7 Ų | 106.7 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.9 | -28 | -177.6 | -70.7 | -83.6 | 0 | 0 | 0 | 113.7 | L39 V41 | Y37-L39 VanDerWaalsContact C-N 3.31Å; Y37-L39 PolarHBondContact O-N 3.32Å; Y37-V41 WeakPolarHBondContact O-CB 3.36Å; Y37-V41 WeakPolarHBondContact O-CG2 3.38Å; Y37-V41 PolarHBondContact O-N 3.41Å |
| 38 | A | 55.3 | Low | 54.2 | Low | 64 Ų | 64 | 104.2 Ų | 104.2 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.9 | -25.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P42 | A38-P42 WeakPolarHBondContact O-CD 3.49Å; A38-P42 VanDerWaalsContact O-CG 3.26Å; A38-P42 WeakPolarHBondContact O-CG 3.31Å |
| 39 | L | 54.8 | Low | 56.2 | Low | 129 Ų | 129 | 106.9 Ų | 106.9 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -96.4 | -32.3 | 175.6 | -109.2 | 135.2 | 0 | 0 | 0 | 112.4 | Y37 M43 | Y37-L39 VanDerWaalsContact C-N 3.31Å; Y37-L39 PolarHBondContact O-N 3.32Å; L39-M43 WeakPolarHBondContact O-CB 3.43Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.28Å; L39-M43 PolarHBondContact O-N 3.12Å |
| 40 | L | 57.3 | Low | 58.2 | Low | 78 Ų | 78 | 110.9 Ų | 110.9 | 41% | 0.408 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.1 | -37.1 | 176.2 | -77.6 | 168.6 | 0 | 0 | 0 | 112.6 | N36 M43 L44 | N36-L40 HydrophobicContact CB-CD1 4.38Å; N36-L40 WeakPolarHBondContact O-CB 3.41Å; N36-L40 VanDerWaalsContact O-CD1 3.29Å; N36-L40 WeakPolarHBondContact O-CD1 3.48Å; N36-L40 VanDerWaalsContact O-CG 3.25Å; N36-L40 WeakPolarHBondContact O-CG 3.46Å; N36-L40 PolarHBondContact O-N 3.29Å; L40-M43 PolarHBondContact O-N 3.42Å; L40-L44 HydrophobicContact CB-CD1 4.43Å; L40-L44 VanDerWaalsContact O-CB 3.24Å; L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 WeakPolarHBondContact O-CD1 3.25Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.48Å |
| 41 | V | 61.4 | Low | 60.3 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.6 | -46.8 | -177.8 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | Y37 G45 | Y37-V41 WeakPolarHBondContact O-CB 3.36Å; Y37-V41 WeakPolarHBondContact O-CG2 3.38Å; Y37-V41 PolarHBondContact O-N 3.41Å; V41-G45 PolarHBondContact O-N 2.98Å |
| 42 | P | 66.4 | Low | 62.4 | Low | 72 Ų | 72 | 114.2 Ų | 114.2 | 47% | 0.468 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.5 | -38.2 | 172.9 | -23.7 | 34.8 | 0 | 0 | 0 | 113.5 | A38 G45 L46 | A38-P42 WeakPolarHBondContact O-CD 3.49Å; A38-P42 VanDerWaalsContact O-CG 3.26Å; A38-P42 WeakPolarHBondContact O-CG 3.31Å; P42-G45 PolarHBondContact O-N 3.49Å; P42-L46 WeakPolarHBondContact O-CB 3.48Å; P42-L46 VanDerWaalsContact O-CG 3.28Å; P42-L46 WeakPolarHBondContact O-CG 3.38Å; P42-L46 PolarHBondContact O-N 2.83Å |
| 43 | M | 64.8 | Low | 63.9 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.6 | -40.2 | 179.6 | -74 | -71 | -80.7 | 0 | 0 | 112.6 | L39 L40 L46 A47 | L39-M43 WeakPolarHBondContact O-CB 3.43Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.28Å; L39-M43 PolarHBondContact O-N 3.12Å; L40-M43 PolarHBondContact O-N 3.42Å; M43-L46 PolarHBondContact O-N 3.34Å; M43-A47 WeakPolarHBondContact O-CB 3.44Å; M43-A47 PolarHBondContact O-N 2.96Å |
| 44 | L | 68.7 | Low | 65.6 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.9 | -38.8 | 172.9 | -73.5 | 166.2 | 0 | 0 | 0 | 111.3 | L40 A47 A48 | L40-L44 HydrophobicContact CB-CD1 4.43Å; L40-L44 VanDerWaalsContact O-CB 3.24Å; L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 WeakPolarHBondContact O-CD1 3.25Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.48Å; L44-A47 PolarHBondContact O-N 3.16Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.39Å; L44-A48 PolarHBondContact O-N 3.08Å |
| 45 | G | 71.4 | Confident | 67.4 | Low | 41 Ų | 41 | 111.7 Ų | 111.7 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -42.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V41 P42 F49 | V41-G45 PolarHBondContact O-N 2.98Å; P42-G45 PolarHBondContact O-N 3.49Å; G45-F49 WeakPolarHBondContact O-CB 3.43Å; G45-F49 PolarHBondContact O-N 3.39Å |
| 46 | L | 71.1 | Confident | 68.6 | Low | 113 Ų | 113 | 105.4 Ų | 105.4 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.5 | -37.7 | 175.3 | -73.6 | 169.4 | 0 | 0 | 0 | 112.7 | P42 M43 R50 | P42-L46 WeakPolarHBondContact O-CB 3.48Å; P42-L46 VanDerWaalsContact O-CG 3.28Å; P42-L46 WeakPolarHBondContact O-CG 3.38Å; P42-L46 PolarHBondContact O-N 2.83Å; M43-L46 PolarHBondContact O-N 3.34Å; L46-R50 WeakPolarHBondContact O-CB 3.3Å; L46-R50 PolarHBondContact O-N 3.13Å |
| 47 | A | 74.7 | Confident | 69.9 | Low | 59 Ų | 59 | 102.1 Ų | 102.1 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M43 L44 R50 W51 | M43-A47 WeakPolarHBondContact O-CB 3.44Å; M43-A47 PolarHBondContact O-N 2.96Å; L44-A47 PolarHBondContact O-N 3.16Å; A47-R50 PolarHBondContact O-N 3.14Å; A47-W51 VanDerWaalsContact O-CB 3.3Å; A47-W51 WeakPolarHBondContact O-CB 3.25Å; A47-W51 PolarHBondContact O-N 3.4Å |
| 48 | A | 73.2 | Confident | 71.3 | Confident | 46 Ų | 46 | 98.8 Ų | 98.8 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L44 W51 I52 | L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.39Å; L44-A48 PolarHBondContact O-N 3.08Å; A48-W51 PolarHBondContact O-N 3.39Å; A48-I52 WeakPolarHBondContact O-CB 3.34Å; A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.43Å; A48-I52 PolarHBondContact O-N 3.49Å |
| 49 | F | 73.6 | Confident | 72.7 | Confident | 129 Ų | 129 | 98.9 Ų | 98.9 | 57% | 0.566 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -43.2 | 174.1 | -177.4 | -99.4 | 0 | 0 | 0 | 111.6 | G45 W51 I52 W53 | G45-F49 WeakPolarHBondContact O-CB 3.43Å; G45-F49 PolarHBondContact O-N 3.39Å; F49-W51 VanDerWaalsContact C-N 3.3Å; F49-W51 PolarHBondContact O-N 3.17Å; F49-I52 PolarHBondContact O-N 3.26Å; F49-W53 HydrophobicContact CZ-CE3 4.38Å; F49-W53 WeakPolarHBondContact O-CB 3.49Å; F49-W53 PolarHBondContact O-N 2.98Å |
| 50 | R | 77.1 | Confident | 74.2 | Confident | 190 Ų | 190 | 98.5 Ų | 98.5 | 72% | 0.717 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.4 | -38.1 | 173.6 | -173.5 | 176.3 | 175.7 | 111.4 | -1.9 | 111.1 | L46 A47 T54 | L46-R50 WeakPolarHBondContact O-CB 3.3Å; L46-R50 PolarHBondContact O-N 3.13Å; A47-R50 PolarHBondContact O-N 3.14Å; R50-T54 WeakPolarHBondContact O-CB 3.49Å; R50-T54 PolarHBondContact O-N 2.88Å; R50-T54 PolarHBondContact O-OG1 3.08Å |
| 51 | W | 77.9 | Confident | 75.4 | Confident | 155 Ų | 155 | 98.6 Ų | 98.6 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.4 | -46 | 176.4 | -178.9 | 80.4 | 0 | 0 | 0 | 112.4 | A47 A48 F49 T54 R55 | A47-W51 VanDerWaalsContact O-CB 3.3Å; A47-W51 WeakPolarHBondContact O-CB 3.25Å; A47-W51 PolarHBondContact O-N 3.4Å; A48-W51 PolarHBondContact O-N 3.39Å; F49-W51 VanDerWaalsContact C-N 3.3Å; F49-W51 PolarHBondContact O-N 3.17Å; W51-T54 PolarHBondContact O-N 3.44Å; W51-R55 VanDerWaalsContact CH2-NH1 3.31Å; W51-R55 WeakPolarHBondContact O-CB 3.39Å; W51-R55 PolarHBondContact O-N 3.3Å |
| 52 | I | 78.5 | Confident | 76.6 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 174.9 | -75.2 | 164.5 | 0 | 0 | 0 | 110.3 | A48 F49 R55 D56 | A48-I52 WeakPolarHBondContact O-CB 3.34Å; A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.43Å; A48-I52 PolarHBondContact O-N 3.49Å; F49-I52 PolarHBondContact O-N 3.26Å; I52-R55 PolarHBondContact O-N 2.61Å; I52-D56 WeakPolarHBondContact O-CB 3.45Å; I52-D56 PolarHBondContact O-N 3.07Å |
| 53 | W | 74.8 | Confident | 77.8 | Confident | 168 Ų | 168 | 103.5 Ų | 103.5 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 179.2 | -171 | -94.4 | 0 | 0 | 0 | 112.6 | F49 R55 S57 | F49-W53 HydrophobicContact CZ-CE3 4.38Å; F49-W53 WeakPolarHBondContact O-CB 3.49Å; F49-W53 PolarHBondContact O-N 2.98Å; W53-R55 VanDerWaalsContact C-N 3.31Å; W53-R55 PolarHBondContact O-N 3.38Å; W53-S57 WeakPolarHBondContact O-CB 3.3Å; W53-S57 PolarHBondContact O-N 3.33Å |
| 54 | T | 80.3 | Confident | 79 | Confident | 60 Ų | 60 | 103.2 Ų | 103.2 | 37% | 0.368 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | R50 W51 Q58 | R50-T54 WeakPolarHBondContact O-CB 3.49Å; R50-T54 PolarHBondContact O-N 2.88Å; R50-T54 PolarHBondContact O-OG1 3.08Å; W51-T54 PolarHBondContact O-N 3.44Å; T54-Q58 HydrophobicContact CG2-CG 4.39Å; T54-Q58 VanDerWaalsContact O-CB 3.25Å; T54-Q58 WeakPolarHBondContact O-CB 3.27Å; T54-Q58 WeakPolarHBondContact O-CG 3.39Å; T54-Q58 PolarHBondContact O-N 3.3Å |
| 55 | R | 81.9 | Confident | 80.1 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 46% | 0.457 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.3 | -46.5 | 177.9 | -171.1 | 173.4 | 83.1 | 160.7 | 4.1 | 111.9 | W51 I52 W53 Q58 N59 | W51-R55 VanDerWaalsContact CH2-NH1 3.31Å; W51-R55 WeakPolarHBondContact O-CB 3.39Å; W51-R55 PolarHBondContact O-N 3.3Å; I52-R55 PolarHBondContact O-N 2.61Å; W53-R55 VanDerWaalsContact C-N 3.31Å; W53-R55 PolarHBondContact O-N 3.38Å; R55-Q58 PolarHBondContact O-N 3.26Å; R55-N59 WeakPolarHBondContact O-CB 3.46Å; R55-N59 PolarHBondContact O-N 2.9Å; R55-N59 PolarHBondContact O-ND2 3.07Å |
| 56 | D | 75.9 | Confident | 81.2 | Confident | 79 Ų | 79 | 106.7 Ų | 106.7 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 177.8 | -78.2 | -10.4 | 0 | 0 | 0 | 111.6 | I52 Q58 N59 E60 | I52-D56 WeakPolarHBondContact O-CB 3.45Å; I52-D56 PolarHBondContact O-N 3.07Å; D56-Q58 PolarHBondContact O-N 3.34Å; D56-N59 PolarHBondContact O-N 3.45Å; D56-E60 WeakPolarHBondContact O-CG 3.47Å; D56-E60 PolarHBondContact O-N 3.37Å |
| 57 | S | 77.9 | Confident | 82.2 | Confident | 45 Ų | 45 | 106 Ų | 106 | 32% | 0.315 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | W53 N59 E60 I61 | W53-S57 WeakPolarHBondContact O-CB 3.3Å; W53-S57 PolarHBondContact O-N 3.33Å; S57-N59 VanDerWaalsContact C-N 3.34Å; S57-N59 PolarHBondContact O-N 3.14Å; S57-E60 PolarHBondContact O-N 3.05Å; S57-I61 WeakPolarHBondContact O-CB 3.36Å; S57-I61 WeakPolarHBondContact O-CD1 3.17Å; S57-I61 WeakPolarHBondContact O-CG1 3.47Å; S57-I61 PolarHBondContact O-N 3.38Å |
| 58 | Q | 81.1 | Confident | 83.1 | Confident | 110 Ų | 110 | 110.4 Ų | 110.4 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 175 | -79.4 | 176.7 | 1.8 | 0 | 0 | 112.1 | T54 R55 D56 I61 Q62 | T54-Q58 HydrophobicContact CG2-CG 4.39Å; T54-Q58 VanDerWaalsContact O-CB 3.25Å; T54-Q58 WeakPolarHBondContact O-CB 3.27Å; T54-Q58 WeakPolarHBondContact O-CG 3.39Å; T54-Q58 PolarHBondContact O-N 3.3Å; R55-Q58 PolarHBondContact O-N 3.26Å; D56-Q58 PolarHBondContact O-N 3.34Å; Q58-I61 PolarHBondContact O-N 3.1Å; Q58-Q62 WeakPolarHBondContact O-CB 3.27Å; Q58-Q62 WeakPolarHBondContact O-CG 3.27Å; Q58-Q62 PolarHBondContact O-N 3.23Å |
| 59 | N | 84.5 | Confident | 84.1 | Confident | 66 Ų | 66 | 113.2 Ų | 113.2 | 35% | 0.353 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.9 | -71.5 | -24.4 | 0 | 0 | 0 | 111.8 | R55 D56 S57 Q62 K63 | R55-N59 WeakPolarHBondContact O-CB 3.46Å; R55-N59 PolarHBondContact O-N 2.9Å; R55-N59 PolarHBondContact O-ND2 3.07Å; D56-N59 PolarHBondContact O-N 3.45Å; S57-N59 VanDerWaalsContact C-N 3.34Å; S57-N59 PolarHBondContact O-N 3.14Å; N59-Q62 PolarHBondContact O-N 2.88Å; N59-K63 VanDerWaalsContact O-CG 3.29Å; N59-K63 WeakPolarHBondContact O-CG 3.36Å; N59-K63 PolarHBondContact O-N 3.44Å |
| 60 | E | 85.4 | Confident | 85.1 | Confident | 122 Ų | 122 | 113 Ų | 113 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 175.1 | -75.5 | 176.7 | -177.1 | 0 | 0 | 112.1 | D56 S57 Q62 K63 I64 | D56-E60 WeakPolarHBondContact O-CG 3.47Å; D56-E60 PolarHBondContact O-N 3.37Å; S57-E60 PolarHBondContact O-N 3.05Å; E60-Q62 VanDerWaalsContact C-N 3.29Å; E60-Q62 PolarHBondContact O-N 3.07Å; E60-K63 PolarHBondContact O-N 3.06Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.22Å; E60-I64 PolarHBondContact O-N 2.94Å |
| 61 | I | 82.8 | Confident | 86 | Confident | 79 Ų | 79 | 107.4 Ų | 107.4 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 175 | -69 | 163.9 | 0 | 0 | 0 | 110.5 | S57 Q58 I64 K65 | S57-I61 WeakPolarHBondContact O-CB 3.36Å; S57-I61 WeakPolarHBondContact O-CD1 3.17Å; S57-I61 WeakPolarHBondContact O-CG1 3.47Å; S57-I61 PolarHBondContact O-N 3.38Å; Q58-I61 PolarHBondContact O-N 3.1Å; I61-I64 PolarHBondContact O-N 3.48Å; I61-K65 HydrophobicContact CG2-CD 4.07Å; I61-K65 HydrophobicContact CG2-CG 4.41Å; I61-K65 WeakPolarHBondContact O-CB 3.19Å; I61-K65 VanDerWaalsContact O-CG 3.24Å; I61-K65 WeakPolarHBondContact O-CG 3.35Å; I61-K65 PolarHBondContact O-N 3.38Å |
| 62 | Q | 86.4 | Confident | 86.8 | Confident | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 175.8 | -79.4 | -178.1 | -9.9 | 0 | 0 | 111.9 | Q58 N59 E60 I64 K65 V66 | Q58-Q62 WeakPolarHBondContact O-CB 3.27Å; Q58-Q62 WeakPolarHBondContact O-CG 3.27Å; Q58-Q62 PolarHBondContact O-N 3.23Å; N59-Q62 PolarHBondContact O-N 2.88Å; E60-Q62 VanDerWaalsContact C-N 3.29Å; E60-Q62 PolarHBondContact O-N 3.07Å; Q62-I64 PolarHBondContact O-N 3.27Å; Q62-K65 PolarHBondContact O-N 3.02Å; Q62-V66 VanDerWaalsContact O-CG2 3.29Å; Q62-V66 WeakPolarHBondContact O-CG2 3.32Å; Q62-V66 PolarHBondContact O-N 2.65Å |
| 63 | K | 90.8 | Very high | 87.6 | Confident | 152 Ų | 152 | 102.1 Ų | 102.1 | 66% | 0.661 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -45.7 | 175.6 | -74.4 | 171.2 | -176.8 | 177.4 | 0 | 111.7 | N59 E60 V66 Q67 | N59-K63 VanDerWaalsContact O-CG 3.29Å; N59-K63 WeakPolarHBondContact O-CG 3.36Å; N59-K63 PolarHBondContact O-N 3.44Å; E60-K63 PolarHBondContact O-N 3.06Å; K63-V66 PolarHBondContact O-N 3.4Å; K63-Q67 WeakPolarHBondContact O-CB 3.34Å; K63-Q67 PolarHBondContact O-N 3.31Å |
| 64 | I | 90.9 | Very high | 88.6 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 60% | 0.595 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 178 | -66.9 | 167.7 | 0 | 0 | 0 | 110.7 | E60 I61 Q62 Q67 Y68 | E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.22Å; E60-I64 PolarHBondContact O-N 2.94Å; I61-I64 PolarHBondContact O-N 3.48Å; Q62-I64 PolarHBondContact O-N 3.27Å; I64-Q67 PolarHBondContact O-N 3.08Å; I64-Y68 VanDerWaalsContact O-CB 3.26Å; I64-Y68 WeakPolarHBondContact O-CB 3.34Å; I64-Y68 PolarHBondContact O-N 3.21Å |
| 65 | K | 91.4 | Very high | 89.4 | Confident | 128 Ų | 128 | 99.6 Ų | 99.6 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 175 | -79.6 | 176.5 | 178.8 | -176.2 | 0 | 112 | I61 Q62 Q67 Y68 D69 | I61-K65 HydrophobicContact CG2-CD 4.07Å; I61-K65 HydrophobicContact CG2-CG 4.41Å; I61-K65 WeakPolarHBondContact O-CB 3.19Å; I61-K65 VanDerWaalsContact O-CG 3.24Å; I61-K65 WeakPolarHBondContact O-CG 3.35Å; I61-K65 PolarHBondContact O-N 3.38Å; Q62-K65 PolarHBondContact O-N 3.02Å; K65-Q67 VanDerWaalsContact C-N 3.31Å; K65-Q67 PolarHBondContact O-N 3.38Å; K65-Y68 PolarHBondContact O-N 3.23Å; K65-D69 WeakPolarHBondContact O-CB 3.4Å; K65-D69 VanDerWaalsContact O-CG 3.28Å; K65-D69 PolarHBondContact O-N 3.2Å |
| 66 | V | 94.3 | Very high | 90 | Very high | 100 Ų | 100 | 100 Ų | 100 | 61% | 0.606 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 178 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | Q62 K63 K70 | Q62-V66 VanDerWaalsContact O-CG2 3.29Å; Q62-V66 WeakPolarHBondContact O-CG2 3.32Å; Q62-V66 PolarHBondContact O-N 2.65Å; K63-V66 PolarHBondContact O-N 3.4Å; V66-K70 VanDerWaalsContact O-CB 3.26Å; V66-K70 WeakPolarHBondContact O-CB 3.41Å; V66-K70 PolarHBondContact O-N 3.26Å |
| 67 | Q | 92.1 | Very high | 91 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.4 | -170.5 | 62.3 | 32.3 | 0 | 0 | 111.5 | K63 I64 K65 K70 D71 | K63-Q67 WeakPolarHBondContact O-CB 3.34Å; K63-Q67 PolarHBondContact O-N 3.31Å; I64-Q67 PolarHBondContact O-N 3.08Å; K65-Q67 VanDerWaalsContact C-N 3.31Å; K65-Q67 PolarHBondContact O-N 3.38Å; Q67-K70 WeakPolarHBondContact O-CB 3.49Å; Q67-K70 PolarHBondContact O-N 3.06Å; Q67-D71 PolarHBondContact NE2-OD1 3.37Å; Q67-D71 WeakPolarHBondContact O-CB 3.15Å; Q67-D71 PolarHBondContact O-N 3Å |
| 68 | Y | 93.6 | Very high | 91.9 | Very high | 152 Ų | 152 | 101.8 Ų | 101.8 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 177.2 | -176.2 | -93.8 | 0 | 0 | 0 | 112 | I64 K65 K70 D71 V72 | I64-Y68 VanDerWaalsContact O-CB 3.26Å; I64-Y68 WeakPolarHBondContact O-CB 3.34Å; I64-Y68 PolarHBondContact O-N 3.21Å; K65-Y68 PolarHBondContact O-N 3.23Å; Y68-K70 VanDerWaalsContact C-N 3.26Å; Y68-K70 PolarHBondContact O-N 3.42Å; Y68-D71 PolarHBondContact O-N 3.48Å; Y68-V72 HydrophobicContact CD1-CG2 3.89Å; Y68-V72 HydrophobicContact CE1-CG2 3.5Å; Y68-V72 HydrophobicContact CE2-CG2 4.22Å; Y68-V72 HydrophobicContact CG-CG2 4.4Å; Y68-V72 WeakPolarHBondContact O-CB 3.39Å; Y68-V72 VanDerWaalsContact O-CG2 3.27Å; Y68-V72 WeakPolarHBondContact O-CG2 3.37Å; Y68-V72 PolarHBondContact O-N 3.4Å |
| 69 | D | 94.4 | Very high | 92.6 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -38.8 | 176.6 | -72.5 | -21.6 | 0 | 0 | 0 | 110.9 | K65 S73 | K65-D69 WeakPolarHBondContact O-CB 3.4Å; K65-D69 VanDerWaalsContact O-CG 3.28Å; K65-D69 PolarHBondContact O-N 3.2Å; D69-S73 VanDerWaalsContact O-CB 3.31Å; D69-S73 WeakPolarHBondContact O-CB 3.43Å; D69-S73 PolarHBondContact O-N 3.45Å; D69-S73 PolarHBondContact O-OG 3.26Å |
| 70 | K | 95.3 | Very high | 93.1 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -50.6 | 173.4 | -173.2 | 179.1 | 178.9 | -178 | 0 | 111.2 | V66 Q67 Y68 V72 S73 V74 | V66-K70 VanDerWaalsContact O-CB 3.26Å; V66-K70 WeakPolarHBondContact O-CB 3.41Å; V66-K70 PolarHBondContact O-N 3.26Å; Q67-K70 WeakPolarHBondContact O-CB 3.49Å; Q67-K70 PolarHBondContact O-N 3.06Å; Y68-K70 VanDerWaalsContact C-N 3.26Å; Y68-K70 PolarHBondContact O-N 3.42Å; K70-V72 PolarHBondContact O-N 3.33Å; K70-S73 PolarHBondContact O-N 3.04Å; K70-S73 PolarHBondContact O-OG 3.06Å; K70-V74 WeakPolarHBondContact O-CG2 3.46Å; K70-V74 PolarHBondContact O-N 2.9Å |
| 71 | D | 95.1 | Very high | 93.6 | Very high | 72 Ų | 72 | 99.9 Ų | 99.9 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | -179.2 | -65.4 | -19.7 | 0 | 0 | 0 | 111.2 | Q67 Y68 S73 V74 I75 | Q67-D71 PolarHBondContact NE2-OD1 3.37Å; Q67-D71 WeakPolarHBondContact O-CB 3.15Å; Q67-D71 PolarHBondContact O-N 3Å; Y68-D71 PolarHBondContact O-N 3.48Å; D71-S73 PolarHBondContact O-N 3.42Å; D71-V74 PolarHBondContact O-N 3.47Å; D71-I75 WeakPolarHBondContact O-CB 3.34Å; D71-I75 VanDerWaalsContact O-CG1 3.25Å; D71-I75 WeakPolarHBondContact O-CG1 3.42Å; D71-I75 PolarHBondContact O-N 3.03Å |
| 72 | V | 95.8 | Very high | 94.3 | Very high | 62 Ų | 62 | 103.2 Ų | 103.2 | 38% | 0.376 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 174 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | Y68 K70 V74 I75 K76 | Y68-V72 HydrophobicContact CD1-CG2 3.89Å; Y68-V72 HydrophobicContact CE1-CG2 3.5Å; Y68-V72 HydrophobicContact CE2-CG2 4.22Å; Y68-V72 HydrophobicContact CG-CG2 4.4Å; Y68-V72 WeakPolarHBondContact O-CB 3.39Å; Y68-V72 VanDerWaalsContact O-CG2 3.27Å; Y68-V72 WeakPolarHBondContact O-CG2 3.37Å; Y68-V72 PolarHBondContact O-N 3.4Å; K70-V72 PolarHBondContact O-N 3.33Å; V72-V74 VanDerWaalsContact C-N 3.35Å; V72-I75 PolarHBondContact O-N 2.95Å; V72-K76 VanDerWaalsContact O-CB 3.23Å; V72-K76 WeakPolarHBondContact O-CB 3.26Å; V72-K76 PolarHBondContact O-N 2.85Å |
| 73 | S | 95.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 104.9 Ų | 104.9 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.8 | 75 | 0 | 0 | 0 | 0 | 112.2 | D69 K70 D71 K76 S77 | D69-S73 VanDerWaalsContact O-CB 3.31Å; D69-S73 WeakPolarHBondContact O-CB 3.43Å; D69-S73 PolarHBondContact O-N 3.45Å; D69-S73 PolarHBondContact O-OG 3.26Å; K70-S73 PolarHBondContact O-N 3.04Å; K70-S73 PolarHBondContact O-OG 3.06Å; D71-S73 PolarHBondContact O-N 3.42Å; S73-K76 PolarHBondContact O-N 2.84Å; S73-S77 WeakPolarHBondContact O-CB 3.4Å; S73-S77 PolarHBondContact O-N 3.37Å; S73-S77 PolarHBondContact O-OG 3.23Å |
| 74 | V | 96.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 105.4 Ų | 105.4 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -53 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | K70 D71 V72 K76 S77 E78 | K70-V74 WeakPolarHBondContact O-CG2 3.46Å; K70-V74 PolarHBondContact O-N 2.9Å; D71-V74 PolarHBondContact O-N 3.47Å; V72-V74 VanDerWaalsContact C-N 3.35Å; V74-K76 VanDerWaalsContact C-N 3.29Å; V74-K76 PolarHBondContact O-N 3.39Å; V74-S77 PolarHBondContact O-N 3Å; V74-S77 VanDerWaalsContact O-N 3.14Å; V74-S77 PolarHBondContact O-OG 3.41Å; V74-E78 PolarHBondContact O-N 3.16Å |
| 75 | I | 95.9 | Very high | 95.2 | Very high | 100 Ų | 100 | 104.3 Ų | 104.3 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 178.7 | -68.1 | 165.3 | 0 | 0 | 0 | 110.8 | D71 V72 E78 M79 | D71-I75 WeakPolarHBondContact O-CB 3.34Å; D71-I75 VanDerWaalsContact O-CG1 3.25Å; D71-I75 WeakPolarHBondContact O-CG1 3.42Å; D71-I75 PolarHBondContact O-N 3.03Å; V72-I75 PolarHBondContact O-N 2.95Å; I75-E78 PolarHBondContact O-N 3.29Å; I75-M79 HydrophobicContact CG2-CG 4.22Å; I75-M79 WeakPolarHBondContact O-CB 3.28Å; I75-M79 WeakPolarHBondContact O-CG 3.46Å; I75-M79 PolarHBondContact O-N 2.85Å |
| 76 | K | 95.8 | Very high | 95.4 | Very high | 130 Ų | 130 | 102.3 Ų | 102.3 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -48.1 | 177.8 | -177.2 | -179.9 | 175.7 | -175.9 | 0 | 111.4 | V72 S73 V74 E78 M79 E80 | V72-K76 VanDerWaalsContact O-CB 3.23Å; V72-K76 WeakPolarHBondContact O-CB 3.26Å; V72-K76 PolarHBondContact O-N 2.85Å; S73-K76 PolarHBondContact O-N 2.84Å; V74-K76 VanDerWaalsContact C-N 3.29Å; V74-K76 PolarHBondContact O-N 3.39Å; K76-E78 VanDerWaalsContact C-N 3.34Å; K76-E78 PolarHBondContact O-N 3.37Å; K76-M79 PolarHBondContact O-N 2.82Å; K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 WeakPolarHBondContact O-CB 3.45Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.12Å |
| 77 | S | 95.9 | Very high | 95.5 | Very high | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 179.3 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | S73 V74 E80 A81 | S73-S77 WeakPolarHBondContact O-CB 3.4Å; S73-S77 PolarHBondContact O-N 3.37Å; S73-S77 PolarHBondContact O-OG 3.23Å; V74-S77 PolarHBondContact O-N 3Å; V74-S77 VanDerWaalsContact O-N 3.14Å; V74-S77 PolarHBondContact O-OG 3.41Å; S77-E80 PolarHBondContact O-N 3.35Å; S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.21Å |
| 78 | E | 96.7 | Very high | 95.7 | Very high | 90 Ų | 90 | 98.6 Ų | 98.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 177.5 | -171.4 | -174.6 | 165.1 | 0 | 0 | 111.4 | V74 I75 K76 A81 R82 | V74-E78 PolarHBondContact O-N 3.16Å; I75-E78 PolarHBondContact O-N 3.29Å; K76-E78 VanDerWaalsContact C-N 3.34Å; K76-E78 PolarHBondContact O-N 3.37Å; E78-A81 PolarHBondContact O-N 3.33Å; E78-R82 WeakPolarHBondContact O-CG 3.4Å; E78-R82 PolarHBondContact O-N 3.38Å; E78-R82 IonicContact OE1-CZ 2.99Å; E78-R82 VanDerWaalsContact OE1-CZ 3.32Å; E78-R82 IonicContact OE1-NE 2.7Å; E78-R82 PolarHBondContact OE1-NE 3.04Å; E78-R82 IonicContact OE1-NH2 2.83Å; E78-R82 PolarHBondContact OE1-NH2 3.07Å |
| 79 | M | 95.4 | Very high | 95.8 | Very high | 126 Ų | 126 | 97.2 Ų | 97.2 | 62% | 0.621 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 176.7 | -70.8 | -69.4 | -99 | 0 | 0 | 111.7 | I75 K76 R82 Y83 | I75-M79 HydrophobicContact CG2-CG 4.22Å; I75-M79 WeakPolarHBondContact O-CB 3.28Å; I75-M79 WeakPolarHBondContact O-CG 3.46Å; I75-M79 PolarHBondContact O-N 2.85Å; K76-M79 PolarHBondContact O-N 2.82Å; M79-R82 PolarHBondContact O-N 2.97Å; M79-Y83 VanDerWaalsContact O-CB 3.28Å; M79-Y83 WeakPolarHBondContact O-CB 3.43Å; M79-Y83 PolarHBondContact O-N 3.33Å |
| 80 | E | 96.2 | Very high | 95.8 | Very high | 87 Ų | 87 | 95.3 Ų | 95.3 | 41% | 0.407 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 173.7 | -75.8 | -179.2 | -165 | 0 | 0 | 112 | K76 S77 R84 | K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 WeakPolarHBondContact O-CB 3.45Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.12Å; S77-E80 PolarHBondContact O-N 3.35Å; E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.37Å; E80-R84 PolarHBondContact O-N 2.67Å |
| 81 | A | 96.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 97.9 Ų | 97.9 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -51.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | S77 E78 Y83 R84 D85 | S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.21Å; E78-A81 PolarHBondContact O-N 3.33Å; A81-Y83 VanDerWaalsContact C-N 3.3Å; A81-Y83 PolarHBondContact O-N 3.18Å; A81-R84 PolarHBondContact O-N 2.9Å; A81-R84 VanDerWaalsContact O-N 3.11Å; A81-D85 PolarHBondContact O-N 2.86Å |
| 82 | R | 95.8 | Very high | 95.9 | Very high | 149 Ų | 149 | 102.5 Ų | 102.5 | 56% | 0.562 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.8 | -41 | 177.4 | -72.6 | 178 | -177.3 | -100.5 | 4.1 | 112.5 | E78 M79 D85 T86 | E78-R82 WeakPolarHBondContact O-CG 3.4Å; E78-R82 PolarHBondContact O-N 3.38Å; E78-R82 IonicContact OE1-CZ 2.99Å; E78-R82 VanDerWaalsContact OE1-CZ 3.32Å; E78-R82 IonicContact OE1-NE 2.7Å; E78-R82 PolarHBondContact OE1-NE 3.04Å; E78-R82 IonicContact OE1-NH2 2.83Å; E78-R82 PolarHBondContact OE1-NH2 3.07Å; M79-R82 PolarHBondContact O-N 2.97Å; R82-D85 PolarHBondContact O-N 3.49Å; R82-T86 WeakPolarHBondContact O-CB 3.38Å; R82-T86 PolarHBondContact O-N 3.19Å; R82-T86 PolarHBondContact O-OG1 3.05Å |
| 83 | Y | 95.2 | Very high | 96 | Very high | 155 Ų | 155 | 101.8 Ų | 101.8 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 176.2 | -179.1 | -102.6 | 0 | 0 | 0 | 112.2 | M79 A81 T86 L87 | M79-Y83 VanDerWaalsContact O-CB 3.28Å; M79-Y83 WeakPolarHBondContact O-CB 3.43Å; M79-Y83 PolarHBondContact O-N 3.33Å; A81-Y83 VanDerWaalsContact C-N 3.3Å; A81-Y83 PolarHBondContact O-N 3.18Å; Y83-T86 PolarHBondContact O-N 3.34Å; Y83-L87 HydrophobicContact CD1-CD1 3.8Å; Y83-L87 HydrophobicContact CD1-CG 4.43Å; Y83-L87 HydrophobicContact CE1-CD1 3.25Å; Y83-L87 HydrophobicContact CE1-CG 4.05Å; Y83-L87 HydrophobicContact CE2-CD1 4.49Å; Y83-L87 HydrophobicContact CE2-CG 4.5Å; Y83-L87 WeakPolarHBondContact O-CB 3.28Å; Y83-L87 WeakPolarHBondContact O-CG 3.38Å; Y83-L87 PolarHBondContact O-N 3.43Å |
| 84 | R | 96.1 | Very high | 96.1 | Very high | 164 Ų | 164 | 102 Ų | 102 | 62% | 0.619 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 175.5 | -73.6 | 176.3 | -173.2 | -176.6 | 6.3 | 111.4 | E80 A81 L87 T88 | E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.37Å; E80-R84 PolarHBondContact O-N 2.67Å; A81-R84 PolarHBondContact O-N 2.9Å; A81-R84 VanDerWaalsContact O-N 3.11Å; R84-L87 WeakPolarHBondContact O-CB 3.46Å; R84-L87 PolarHBondContact O-N 3.3Å; R84-T88 WeakPolarHBondContact O-CG2 3.25Å; R84-T88 PolarHBondContact O-N 2.99Å |
| 85 | D | 96.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 101 Ų | 101 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -49.5 | 177.8 | -69.5 | -16.2 | 0 | 0 | 0 | 110.4 | A81 R82 L87 T88 E89 | A81-D85 PolarHBondContact O-N 2.86Å; R82-D85 PolarHBondContact O-N 3.49Å; D85-L87 VanDerWaalsContact C-N 3.3Å; D85-L87 PolarHBondContact O-N 2.93Å; D85-T88 PolarHBondContact O-N 2.89Å; D85-T88 PolarHBondContact O-OG1 3.47Å; D85-E89 WeakPolarHBondContact O-CG 3.44Å; D85-E89 PolarHBondContact O-N 2.9Å |
| 86 | T | 96.4 | Very high | 96.2 | Very high | 86 Ų | 86 | 100 Ų | 100 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 178.1 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | R82 Y83 S90 | R82-T86 WeakPolarHBondContact O-CB 3.38Å; R82-T86 PolarHBondContact O-N 3.19Å; R82-T86 PolarHBondContact O-OG1 3.05Å; Y83-T86 PolarHBondContact O-N 3.34Å; T86-S90 WeakPolarHBondContact O-CB 3.38Å; T86-S90 PolarHBondContact O-N 3.07Å |
| 87 | L | 95.5 | Very high | 96.3 | Very high | 63 Ų | 63 | 99 Ų | 99 | 33% | 0.33 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.4 | -81.3 | 177.7 | 0 | 0 | 0 | 112.3 | Y83 R84 D85 R91 | Y83-L87 HydrophobicContact CD1-CD1 3.8Å; Y83-L87 HydrophobicContact CD1-CG 4.43Å; Y83-L87 HydrophobicContact CE1-CD1 3.25Å; Y83-L87 HydrophobicContact CE1-CG 4.05Å; Y83-L87 HydrophobicContact CE2-CD1 4.49Å; Y83-L87 HydrophobicContact CE2-CG 4.5Å; Y83-L87 WeakPolarHBondContact O-CB 3.28Å; Y83-L87 WeakPolarHBondContact O-CG 3.38Å; Y83-L87 PolarHBondContact O-N 3.43Å; R84-L87 WeakPolarHBondContact O-CB 3.46Å; R84-L87 PolarHBondContact O-N 3.3Å; D85-L87 VanDerWaalsContact C-N 3.3Å; D85-L87 PolarHBondContact O-N 2.93Å; L87-R91 WeakPolarHBondContact O-CB 3.35Å; L87-R91 VanDerWaalsContact O-CG 3.23Å; L87-R91 WeakPolarHBondContact O-CG 3.41Å; L87-R91 PolarHBondContact O-N 3.07Å |
| 88 | T | 95.5 | Very high | 96.3 | Very high | 58 Ų | 58 | 101 Ų | 101 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 177.9 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | R84 D85 R91 R92 | R84-T88 WeakPolarHBondContact O-CG2 3.25Å; R84-T88 PolarHBondContact O-N 2.99Å; D85-T88 PolarHBondContact O-N 2.89Å; D85-T88 PolarHBondContact O-OG1 3.47Å; T88-R91 PolarHBondContact O-N 3.27Å; T88-R92 VanDerWaalsContact O-CG 3.28Å; T88-R92 WeakPolarHBondContact O-CG 3.36Å; T88-R92 PolarHBondContact O-N 3.11Å |
| 89 | E | 96.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 101 Ų | 101 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 174.1 | -72.4 | -179.7 | 171.5 | 0 | 0 | 111.2 | D85 R91 R92 A93 | D85-E89 WeakPolarHBondContact O-CG 3.44Å; D85-E89 PolarHBondContact O-N 2.9Å; E89-R91 VanDerWaalsContact C-N 3.35Å; E89-R91 PolarHBondContact O-N 3.46Å; E89-R92 PolarHBondContact O-N 3.5Å; E89-A93 WeakPolarHBondContact O-CB 3.39Å; E89-A93 PolarHBondContact O-N 2.65Å |
| 90 | S | 95.7 | Very high | 96.5 | Very high | 65 Ų | 65 | 100.2 Ų | 100.2 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 174.8 | 179 | 0 | 0 | 0 | 0 | 111.3 | T86 R92 A93 V94 | T86-S90 WeakPolarHBondContact O-CB 3.38Å; T86-S90 PolarHBondContact O-N 3.07Å; S90-R92 PolarHBondContact O-N 3.09Å; S90-A93 PolarHBondContact O-N 2.77Å; S90-V94 VanDerWaalsContact O-CG2 3.3Å; S90-V94 WeakPolarHBondContact O-CG2 3.29Å; S90-V94 PolarHBondContact O-N 2.89Å |
| 91 | R | 95.4 | Very high | 96.6 | Very high | 180 Ų | 180 | 100.9 Ų | 100.9 | 68% | 0.679 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 175.7 | -75.6 | 174.2 | -179.6 | -176 | 0.7 | 112.8 | L87 T88 E89 A95 | L87-R91 WeakPolarHBondContact O-CB 3.35Å; L87-R91 VanDerWaalsContact O-CG 3.23Å; L87-R91 WeakPolarHBondContact O-CG 3.41Å; L87-R91 PolarHBondContact O-N 3.07Å; T88-R91 PolarHBondContact O-N 3.27Å; E89-R91 VanDerWaalsContact C-N 3.35Å; E89-R91 PolarHBondContact O-N 3.46Å; R91-A95 WeakPolarHBondContact O-CB 3.37Å; R91-A95 PolarHBondContact O-N 3.31Å |
| 92 | R | 96.7 | Very high | 96.6 | Very high | 168 Ų | 168 | 104.5 Ų | 104.5 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 175.6 | -73 | 171.8 | -172.5 | 160.4 | 4.2 | 111.1 | T88 E89 S90 V94 A95 T96 | T88-R92 VanDerWaalsContact O-CG 3.28Å; T88-R92 WeakPolarHBondContact O-CG 3.36Å; T88-R92 PolarHBondContact O-N 3.11Å; E89-R92 PolarHBondContact O-N 3.5Å; S90-R92 PolarHBondContact O-N 3.09Å; R92-V94 PolarHBondContact O-N 3.44Å; R92-A95 PolarHBondContact O-N 2.62Å; R92-T96 WeakPolarHBondContact O-CG2 3.41Å; R92-T96 PolarHBondContact O-N 3.47Å; R92-T96 PolarHBondContact O-OG1 2.89Å |
| 93 | A | 96.8 | Very high | 96.7 | Very high | 48 Ų | 48 | 102.4 Ų | 102.4 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | E89 S90 T96 L97 | E89-A93 WeakPolarHBondContact O-CB 3.39Å; E89-A93 PolarHBondContact O-N 2.65Å; S90-A93 PolarHBondContact O-N 2.77Å; A93-T96 WeakPolarHBondContact CA-OG1 3.44Å; A93-T96 PolarHBondContact O-N 3.5Å; A93-T96 PolarHBondContact O-OG1 3.46Å; A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 VanDerWaalsContact O-CG 3.28Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.27Å |
| 94 | V | 97.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 99.3 Ų | 99.3 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -50 | 174.1 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | S90 R92 T96 L97 E98 | S90-V94 VanDerWaalsContact O-CG2 3.3Å; S90-V94 WeakPolarHBondContact O-CG2 3.29Å; S90-V94 PolarHBondContact O-N 2.89Å; R92-V94 PolarHBondContact O-N 3.44Å; V94-T96 VanDerWaalsContact C-N 3.31Å; V94-T96 PolarHBondContact O-N 3.26Å; V94-L97 PolarHBondContact O-N 3.44Å; V94-L97 VanDerWaalsContact O-N 3.14Å; V94-E98 HydrophobicContact CG1-CG 4.23Å; V94-E98 WeakPolarHBondContact CG1-OE1 3.47Å; V94-E98 WeakPolarHBondContact O-CB 3.14Å; V94-E98 WeakPolarHBondContact O-CG 3.34Å; V94-E98 PolarHBondContact O-N 3.32Å |
| 95 | A | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 96.1 Ų | 96.1 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R91 R92 L99 | R91-A95 WeakPolarHBondContact O-CB 3.37Å; R91-A95 PolarHBondContact O-N 3.31Å; R92-A95 PolarHBondContact O-N 2.62Å; A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 PolarHBondContact O-N 3.02Å |
| 96 | T | 97.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 98.2 Ų | 98.2 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.4 | 50 | 0 | 0 | 0 | 0 | 112.1 | R92 A93 V94 L99 E100 | R92-T96 WeakPolarHBondContact O-CG2 3.41Å; R92-T96 PolarHBondContact O-N 3.47Å; R92-T96 PolarHBondContact O-OG1 2.89Å; A93-T96 WeakPolarHBondContact CA-OG1 3.44Å; A93-T96 PolarHBondContact O-N 3.5Å; A93-T96 PolarHBondContact O-OG1 3.46Å; V94-T96 VanDerWaalsContact C-N 3.31Å; V94-T96 PolarHBondContact O-N 3.26Å; T96-L99 PolarHBondContact O-N 2.96Å; T96-E100 WeakPolarHBondContact O-CG 3.43Å; T96-E100 PolarHBondContact O-N 2.9Å |
| 97 | L | 97.9 | Very high | 97 | Very high | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.1 | -37.8 | 179.4 | -72.4 | 171.5 | 0 | 0 | 0 | 112 | A93 V94 L99 E100 L101 | A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 VanDerWaalsContact O-CG 3.28Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.27Å; V94-L97 PolarHBondContact O-N 3.44Å; V94-L97 VanDerWaalsContact O-N 3.14Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 3.24Å; L97-E100 PolarHBondContact O-N 3.32Å; L97-L101 VanDerWaalsContact O-CB 3.29Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 3.43Å |
| 98 | E | 96.9 | Very high | 97.1 | Very high | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 174 | -75.2 | 174.8 | 172.1 | 0 | 0 | 111 | V94 L101 E102 | V94-E98 HydrophobicContact CG1-CG 4.23Å; V94-E98 WeakPolarHBondContact CG1-OE1 3.47Å; V94-E98 WeakPolarHBondContact O-CB 3.14Å; V94-E98 WeakPolarHBondContact O-CG 3.34Å; V94-E98 PolarHBondContact O-N 3.32Å; E98-L101 WeakPolarHBondContact O-CB 3.26Å; E98-L101 PolarHBondContact O-N 3.17Å; E98-E102 WeakPolarHBondContact O-CG 3.31Å; E98-E102 PolarHBondContact O-N 3.21Å |
| 99 | L | 97.9 | Very high | 97.2 | Very high | 89 Ų | 89 | 103.1 Ų | 103.1 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 178 | -175.9 | 142.3 | 0 | 0 | 0 | 112.7 | A95 T96 L97 K103 | A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 PolarHBondContact O-N 3.02Å; T96-L99 PolarHBondContact O-N 2.96Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 3.24Å; L99-K103 HydrophobicContact CD2-CD 4.03Å; L99-K103 VanDerWaalsContact CD2-CE 3.43Å; L99-K103 VanDerWaalsContact CD2-NZ 3.33Å; L99-K103 WeakPolarHBondContact O-CG 3.46Å; L99-K103 PolarHBondContact O-N 2.87Å; L99-K103 VanDerWaalsContact O-N 3.15Å |
| 100 | E | 97.5 | Very high | 97.2 | Very high | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 173.1 | -74.9 | 179.8 | 179.7 | 0 | 0 | 111.7 | T96 L97 E102 K103 E104 | T96-E100 WeakPolarHBondContact O-CG 3.43Å; T96-E100 PolarHBondContact O-N 2.9Å; L97-E100 PolarHBondContact O-N 3.32Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E100-E102 PolarHBondContact O-N 3.15Å; E100-K103 WeakPolarHBondContact O-CB 3.42Å; E100-K103 PolarHBondContact O-N 2.84Å; E100-E104 WeakPolarHBondContact O-CG 3.48Å; E100-E104 PolarHBondContact O-N 2.9Å |
| 101 | L | 97.9 | Very high | 97.3 | Very high | 102 Ų | 102 | 103.2 Ų | 103.2 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.5 | -177.6 | 66.4 | 0 | 0 | 0 | 111.1 | L97 E98 K103 E104 Q105 | L97-L101 VanDerWaalsContact O-CB 3.29Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 3.43Å; E98-L101 WeakPolarHBondContact O-CB 3.26Å; E98-L101 PolarHBondContact O-N 3.17Å; L101-K103 VanDerWaalsContact C-N 3.34Å; L101-K103 PolarHBondContact O-N 2.9Å; L101-E104 PolarHBondContact O-N 3.3Å; L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 VanDerWaalsContact O-CG 3.29Å; L101-Q105 WeakPolarHBondContact O-CG 3.48Å; L101-Q105 PolarHBondContact O-N 3.43Å |
| 102 | E | 97.3 | Very high | 97.4 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -42 | 175.9 | -74.8 | -176.5 | 171.4 | 0 | 0 | 112.2 | E98 E100 Q105 Q106 | E98-E102 WeakPolarHBondContact O-CG 3.31Å; E98-E102 PolarHBondContact O-N 3.21Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E100-E102 PolarHBondContact O-N 3.15Å; E102-Q105 PolarHBondContact O-N 3.21Å; E102-Q106 WeakPolarHBondContact O-CG 3.44Å; E102-Q106 PolarHBondContact O-N 2.98Å |
| 103 | K | 98.1 | Very high | 97.4 | Very high | 106 Ų | 106 | 98.9 Ų | 98.9 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.8 | -74.1 | 173.6 | 177.4 | 172.7 | 0 | 112.4 | L99 E100 L101 Q106 R107 | L99-K103 HydrophobicContact CD2-CD 4.03Å; L99-K103 VanDerWaalsContact CD2-CE 3.43Å; L99-K103 VanDerWaalsContact CD2-NZ 3.33Å; L99-K103 WeakPolarHBondContact O-CG 3.46Å; L99-K103 PolarHBondContact O-N 2.87Å; L99-K103 VanDerWaalsContact O-N 3.15Å; E100-K103 WeakPolarHBondContact O-CB 3.42Å; E100-K103 PolarHBondContact O-N 2.84Å; L101-K103 VanDerWaalsContact C-N 3.34Å; L101-K103 PolarHBondContact O-N 2.9Å; K103-Q106 PolarHBondContact O-N 2.96Å; K103-R107 PolarHBondContact O-N 3.39Å; K103-R107 PolarHBondContact O-NE 3.38Å |
| 104 | E | 96.8 | Very high | 97.5 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 175.9 | -69.3 | -62.5 | 166.3 | 0 | 0 | 111.1 | E100 L101 Q106 R107 V108 | E100-E104 WeakPolarHBondContact O-CG 3.48Å; E100-E104 PolarHBondContact O-N 2.9Å; L101-E104 PolarHBondContact O-N 3.3Å; E104-Q106 VanDerWaalsContact C-N 3.31Å; E104-Q106 PolarHBondContact O-N 2.88Å; E104-R107 VanDerWaalsContact CD-NH1 3.31Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-R107 VanDerWaalsContact O-N 3.16Å; E104-R107 IonicContact OE1-CZ 2.7Å; E104-R107 IonicContact OE1-NE 3.32Å; E104-R107 IonicContact OE1-NH1 2.78Å; E104-R107 PolarHBondContact OE1-NH1 2.93Å; E104-R107 IonicContact OE1-NH2 2.82Å; E104-R107 PolarHBondContact OE1-NH2 3.03Å; E104-R107 IonicContact OE2-CZ 3.31Å; E104-R107 IonicContact OE2-NE 3.79Å; E104-R107 IonicContact OE2-NH1 3.95Å; E104-R107 PolarHBondContact OE2-NH1 3.45Å; E104-R107 IonicContact OE2-NH2 3.05Å; E104-R107 PolarHBondContact OE2-NH2 3.02Å; E104-V108 WeakPolarHBondContact O-CG2 3.49Å; E104-V108 PolarHBondContact O-N 3.34Å |
| 105 | Q | 97.6 | Very high | 97.4 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 175 | -75.5 | -179.2 | 10 | 0 | 0 | 112.1 | L101 E102 K109 | L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 VanDerWaalsContact O-CG 3.29Å; L101-Q105 WeakPolarHBondContact O-CG 3.48Å; L101-Q105 PolarHBondContact O-N 3.43Å; E102-Q105 PolarHBondContact O-N 3.21Å; Q105-K109 WeakPolarHBondContact O-CG 3.18Å; Q105-K109 PolarHBondContact O-N 3.31Å |
| 106 | Q | 97.3 | Very high | 97.5 | Very high | 136 Ų | 136 | 103 Ų | 103 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 175.1 | -73.3 | 178.7 | -4 | 0 | 0 | 111.9 | E102 K103 E104 K109 G110 | E102-Q106 WeakPolarHBondContact O-CG 3.44Å; E102-Q106 PolarHBondContact O-N 2.98Å; K103-Q106 PolarHBondContact O-N 2.96Å; E104-Q106 VanDerWaalsContact C-N 3.31Å; E104-Q106 PolarHBondContact O-N 2.88Å; Q106-K109 PolarHBondContact O-N 2.93Å; Q106-G110 PolarHBondContact O-N 3.41Å |
| 107 | R | 97.8 | Very high | 97.5 | Very high | 112 Ų | 112 | 102.3 Ų | 102.3 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 175.7 | -82.5 | -178.7 | -87.1 | 164 | -6.3 | 112.3 | K103 E104 K109 G110 Y111 | K103-R107 PolarHBondContact O-N 3.39Å; K103-R107 PolarHBondContact O-NE 3.38Å; E104-R107 VanDerWaalsContact CD-NH1 3.31Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-R107 VanDerWaalsContact O-N 3.16Å; E104-R107 IonicContact OE1-CZ 2.7Å; E104-R107 IonicContact OE1-NE 3.32Å; E104-R107 IonicContact OE1-NH1 2.78Å; E104-R107 PolarHBondContact OE1-NH1 2.93Å; E104-R107 IonicContact OE1-NH2 2.82Å; E104-R107 PolarHBondContact OE1-NH2 3.03Å; E104-R107 IonicContact OE2-CZ 3.31Å; E104-R107 IonicContact OE2-NE 3.79Å; E104-R107 IonicContact OE2-NH1 3.95Å; E104-R107 PolarHBondContact OE2-NH1 3.45Å; E104-R107 IonicContact OE2-NH2 3.05Å; E104-R107 PolarHBondContact OE2-NH2 3.02Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.99Å; R107-G110 PolarHBondContact O-N 2.96Å; R107-G110 VanDerWaalsContact O-N 3.13Å; R107-Y111 HydrophobicContact CB-CE2 4.16Å; R107-Y111 WeakPolarHBondContact O-CD2 3.48Å; R107-Y111 PolarHBondContact O-N 3.26Å |
| 108 | V | 97.9 | Very high | 97.4 | Very high | 73 Ų | 73 | 102.4 Ų | 102.4 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | E104 G110 Y111 Q112 | E104-V108 WeakPolarHBondContact O-CG2 3.49Å; E104-V108 PolarHBondContact O-N 3.34Å; V108-G110 VanDerWaalsContact C-N 3.32Å; V108-G110 PolarHBondContact O-N 2.99Å; V108-Y111 PolarHBondContact O-N 2.7Å; V108-Q112 HydrophobicContact CG1-CG 4.45Å; V108-Q112 WeakPolarHBondContact O-CB 3.26Å; V108-Q112 VanDerWaalsContact O-CG 3.31Å; V108-Q112 WeakPolarHBondContact O-CG 3.41Å; V108-Q112 PolarHBondContact O-N 3.24Å |
| 109 | K | 97.5 | Very high | 97.4 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 174.3 | -74.3 | 173.9 | -178.2 | 175.8 | 0 | 111.8 | Q105 Q106 R107 Q112 Q113 | Q105-K109 WeakPolarHBondContact O-CG 3.18Å; Q105-K109 PolarHBondContact O-N 3.31Å; Q106-K109 PolarHBondContact O-N 2.93Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.99Å; K109-Q112 PolarHBondContact O-N 3.43Å; K109-Q113 WeakPolarHBondContact O-CG 3.42Å; K109-Q113 PolarHBondContact O-N 3.19Å |
| 110 | G | 97.6 | Very high | 97.4 | Very high | 35 Ų | 35 | 101 Ų | 101 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q106 R107 V108 Q113 A114 | Q106-G110 PolarHBondContact O-N 3.41Å; R107-G110 PolarHBondContact O-N 2.96Å; R107-G110 VanDerWaalsContact O-N 3.13Å; V108-G110 VanDerWaalsContact C-N 3.32Å; V108-G110 PolarHBondContact O-N 2.99Å; G110-Q113 PolarHBondContact O-N 3.25Å; G110-A114 WeakPolarHBondContact O-CB 3.49Å; G110-A114 PolarHBondContact O-N 3.17Å |
| 111 | Y | 97.3 | Very high | 97.3 | Very high | 155 Ų | 155 | 100 Ų | 100 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 176.5 | -66 | -46.2 | 0 | 0 | 0 | 112.6 | R107 V108 A114 L115 | R107-Y111 HydrophobicContact CB-CE2 4.16Å; R107-Y111 WeakPolarHBondContact O-CD2 3.48Å; R107-Y111 PolarHBondContact O-N 3.26Å; V108-Y111 PolarHBondContact O-N 2.7Å; Y111-A114 PolarHBondContact O-N 2.97Å; Y111-L115 WeakPolarHBondContact O-CB 3.46Å; Y111-L115 WeakPolarHBondContact O-CG 3.44Å; Y111-L115 PolarHBondContact O-N 3.26Å |
| 112 | Q | 97.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 99.1 Ų | 99.1 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175 | -75 | 175.4 | -9.7 | 0 | 0 | 111.5 | V108 K109 L115 V116 | V108-Q112 HydrophobicContact CG1-CG 4.45Å; V108-Q112 WeakPolarHBondContact O-CB 3.26Å; V108-Q112 VanDerWaalsContact O-CG 3.31Å; V108-Q112 WeakPolarHBondContact O-CG 3.41Å; V108-Q112 PolarHBondContact O-N 3.24Å; K109-Q112 PolarHBondContact O-N 3.43Å; Q112-L115 PolarHBondContact O-N 2.7Å; Q112-V116 VanDerWaalsContact O-CG2 3.32Å; Q112-V116 WeakPolarHBondContact O-CG2 3.29Å; Q112-V116 PolarHBondContact O-N 2.88Å |
| 113 | Q | 97.4 | Very high | 97.3 | Very high | 143 Ų | 143 | 98.4 Ų | 98.4 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 176.8 | -72.2 | 175.2 | -9.1 | 0 | 0 | 112.1 | K109 G110 V116 S117 | K109-Q113 WeakPolarHBondContact O-CG 3.42Å; K109-Q113 PolarHBondContact O-N 3.19Å; G110-Q113 PolarHBondContact O-N 3.25Å; Q113-V116 PolarHBondContact O-N 3.36Å; Q113-S117 PolarHBondContact O-N 3.4Å; Q113-S117 PolarHBondContact O-OG 3.31Å |
| 114 | A | 97.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 99.7 Ų | 99.7 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G110 Y111 S117 H118 | G110-A114 WeakPolarHBondContact O-CB 3.49Å; G110-A114 PolarHBondContact O-N 3.17Å; Y111-A114 PolarHBondContact O-N 2.97Å; A114-S117 PolarHBondContact O-OG 3.49Å; A114-H118 VanDerWaalsContact O-CB 3.23Å; A114-H118 WeakPolarHBondContact O-CB 3.27Å; A114-H118 PolarHBondContact O-N 3.48Å |
| 115 | L | 97.4 | Very high | 97.2 | Very high | 122 Ų | 122 | 100 Ų | 100 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 174.9 | -78.9 | 166 | 0 | 0 | 0 | 111.7 | Y111 Q112 S119 | Y111-L115 WeakPolarHBondContact O-CB 3.46Å; Y111-L115 WeakPolarHBondContact O-CG 3.44Å; Y111-L115 PolarHBondContact O-N 3.26Å; Q112-L115 PolarHBondContact O-N 2.7Å; L115-S119 VanDerWaalsContact O-CB 3.25Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 2.94Å |
| 116 | V | 97.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | Q112 Q113 S119 Q120 | Q112-V116 VanDerWaalsContact O-CG2 3.32Å; Q112-V116 WeakPolarHBondContact O-CG2 3.29Å; Q112-V116 PolarHBondContact O-N 2.88Å; Q113-V116 PolarHBondContact O-N 3.36Å; V116-S119 PolarHBondContact O-N 3.01Å; V116-Q120 VanDerWaalsContact O-CG 3.31Å; V116-Q120 WeakPolarHBondContact O-CG 3.44Å; V116-Q120 PolarHBondContact O-N 2.96Å |
| 117 | S | 97 | Very high | 97.2 | Very high | 64 Ų | 64 | 103.1 Ų | 103.1 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 178.5 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | Q113 A114 Q120 H121 | Q113-S117 PolarHBondContact O-N 3.4Å; Q113-S117 PolarHBondContact O-OG 3.31Å; A114-S117 PolarHBondContact O-OG 3.49Å; S117-Q120 PolarHBondContact O-N 3.32Å; S117-H121 WeakPolarHBondContact O-CB 3.42Å; S117-H121 PolarHBondContact O-N 2.94Å |
| 118 | H | 96.8 | Very high | 97.2 | Very high | 110 Ų | 110 | 106.3 Ų | 106.3 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.2 | -173 | 64.1 | 0 | 0 | 0 | 111.9 | A114 Q120 H121 L122 | A114-H118 VanDerWaalsContact O-CB 3.23Å; A114-H118 WeakPolarHBondContact O-CB 3.27Å; A114-H118 PolarHBondContact O-N 3.48Å; H118-Q120 PolarHBondContact O-N 3.41Å; H118-H121 WeakPolarHBondContact O-CB 3.38Å; H118-H121 PolarHBondContact O-N 3Å; H118-L122 WeakPolarHBondContact O-CG 3.44Å; H118-L122 PolarHBondContact O-N 3.21Å |
| 119 | S | 96.7 | Very high | 97.1 | Very high | 60 Ų | 60 | 108.1 Ų | 108.1 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | L115 V116 H121 L122 I123 | L115-S119 VanDerWaalsContact O-CB 3.25Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 2.94Å; V116-S119 PolarHBondContact O-N 3.01Å; S119-H121 PolarHBondContact O-N 3Å; S119-L122 PolarHBondContact O-N 3.44Å; S119-I123 WeakPolarHBondContact O-CG1 3.48Å; S119-I123 PolarHBondContact O-N 2.79Å |
| 120 | Q | 96.8 | Very high | 97 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.9 | -73.9 | 174.1 | -5.8 | 0 | 0 | 112.2 | V116 S117 H118 I123 Q124 | V116-Q120 VanDerWaalsContact O-CG 3.31Å; V116-Q120 WeakPolarHBondContact O-CG 3.44Å; V116-Q120 PolarHBondContact O-N 2.96Å; S117-Q120 PolarHBondContact O-N 3.32Å; H118-Q120 PolarHBondContact O-N 3.41Å; Q120-I123 PolarHBondContact O-N 3.47Å; Q120-Q124 WeakPolarHBondContact O-CG 3.47Å; Q120-Q124 PolarHBondContact O-N 3.28Å |
| 121 | H | 97 | Very high | 97 | Very high | 90 Ų | 90 | 109.9 Ų | 109.9 | 42% | 0.417 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 175.7 | 179.6 | -88.3 | 0 | 0 | 0 | 111.7 | S117 H118 S119 I123 Q124 E125 | S117-H121 WeakPolarHBondContact O-CB 3.42Å; S117-H121 PolarHBondContact O-N 2.94Å; H118-H121 WeakPolarHBondContact O-CB 3.38Å; H118-H121 PolarHBondContact O-N 3Å; S119-H121 PolarHBondContact O-N 3Å; H121-I123 VanDerWaalsContact C-N 3.3Å; H121-I123 PolarHBondContact O-N 3.35Å; H121-Q124 WeakPolarHBondContact O-CB 3.36Å; H121-Q124 PolarHBondContact O-N 3.04Å; H121-Q124 VanDerWaalsContact O-N 3.12Å; H121-E125 IonicContact CE1-OE1 3.22Å; H121-E125 PolarHBondContact CE1-OE1 2.91Å; H121-E125 VanDerWaalsContact CE1-OE1 3.25Å; H121-E125 IonicContact CE1-OE2 3.46Å; H121-E125 IonicContact ND1-OE2 2.93Å; H121-E125 IonicContact NE2-OE1 2.63Å; H121-E125 PolarHBondContact O-N 3.41Å |
| 122 | L | 97.4 | Very high | 97 | Very high | 83 Ų | 83 | 107.4 Ų | 107.4 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 177.4 | -70.4 | 174.7 | 0 | 0 | 0 | 112.5 | H118 S119 R126 | H118-L122 WeakPolarHBondContact O-CG 3.44Å; H118-L122 PolarHBondContact O-N 3.21Å; S119-L122 PolarHBondContact O-N 3.44Å; L122-R126 VanDerWaalsContact O-CB 3.27Å; L122-R126 WeakPolarHBondContact O-CB 3.43Å; L122-R126 PolarHBondContact O-N 2.99Å |
| 123 | I | 96.7 | Very high | 96.9 | Very high | 105 Ų | 105 | 111.2 Ų | 111.2 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.4 | -70.3 | 161.4 | 0 | 0 | 0 | 110.7 | S119 Q120 H121 R126 K127 | S119-I123 WeakPolarHBondContact O-CG1 3.48Å; S119-I123 PolarHBondContact O-N 2.79Å; Q120-I123 PolarHBondContact O-N 3.47Å; H121-I123 VanDerWaalsContact C-N 3.3Å; H121-I123 PolarHBondContact O-N 3.35Å; I123-R126 PolarHBondContact O-N 3.38Å; I123-K127 WeakPolarHBondContact O-CB 3.41Å; I123-K127 PolarHBondContact O-N 3.41Å |
| 124 | Q | 96.8 | Very high | 96.8 | Very high | 134 Ų | 134 | 110.5 Ų | 110.5 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 177 | -72.2 | 176.9 | -4.8 | 0 | 0 | 111.9 | Q120 H121 K127 R128 | Q120-Q124 WeakPolarHBondContact O-CG 3.47Å; Q120-Q124 PolarHBondContact O-N 3.28Å; H121-Q124 WeakPolarHBondContact O-CB 3.36Å; H121-Q124 PolarHBondContact O-N 3.04Å; H121-Q124 VanDerWaalsContact O-N 3.12Å; Q124-K127 PolarHBondContact O-N 3.47Å; Q124-R128 PolarHBondContact O-N 3.05Å |
| 125 | E | 96.6 | Very high | 96.7 | Very high | 94 Ų | 94 | 110.9 Ų | 110.9 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.1 | -78.4 | -167 | 145.4 | 0 | 0 | 111.9 | H121 K127 R128 L129 | H121-E125 IonicContact CE1-OE1 3.22Å; H121-E125 PolarHBondContact CE1-OE1 2.91Å; H121-E125 VanDerWaalsContact CE1-OE1 3.25Å; H121-E125 IonicContact CE1-OE2 3.46Å; H121-E125 IonicContact ND1-OE2 2.93Å; H121-E125 IonicContact NE2-OE1 2.63Å; H121-E125 PolarHBondContact O-N 3.41Å; E125-K127 VanDerWaalsContact C-N 3.28Å; E125-K127 PolarHBondContact O-N 3.5Å; E125-R128 WeakPolarHBondContact O-CB 3.35Å; E125-R128 PolarHBondContact O-N 2.87Å; E125-R128 VanDerWaalsContact O-N 3.17Å; E125-L129 WeakPolarHBondContact O-CG 3.45Å; E125-L129 PolarHBondContact O-N 3.15Å |
| 126 | R | 96.9 | Very high | 96.6 | Very high | 165 Ų | 165 | 109.7 Ų | 109.7 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57 | -45 | 175.6 | -178.7 | -177.8 | 169.6 | -169.6 | -4.4 | 111.2 | L122 I123 R128 L129 E130 | L122-R126 VanDerWaalsContact O-CB 3.27Å; L122-R126 WeakPolarHBondContact O-CB 3.43Å; L122-R126 PolarHBondContact O-N 2.99Å; I123-R126 PolarHBondContact O-N 3.38Å; R126-R128 VanDerWaalsContact C-N 3.33Å; R126-R128 PolarHBondContact O-N 3.4Å; R126-L129 PolarHBondContact O-N 3.1Å; R126-E130 IonicContact CZ-OE1 3.65Å; R126-E130 IonicContact NE-OE1 3.32Å; R126-E130 PolarHBondContact NE-OE1 3.35Å; R126-E130 IonicContact NH2-OE1 4Å; R126-E130 PolarHBondContact NH2-OE1 2.89Å; R126-E130 WeakPolarHBondContact O-CB 3.33Å; R126-E130 WeakPolarHBondContact O-CG 3.28Å; R126-E130 PolarHBondContact O-N 2.97Å |
| 127 | K | 97.1 | Very high | 96.4 | Very high | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | 179.1 | -160.8 | 177 | -173.3 | 179.6 | 0 | 111.7 | I123 Q124 E125 E130 Q131 | I123-K127 WeakPolarHBondContact O-CB 3.41Å; I123-K127 PolarHBondContact O-N 3.41Å; Q124-K127 PolarHBondContact O-N 3.47Å; E125-K127 VanDerWaalsContact C-N 3.28Å; E125-K127 PolarHBondContact O-N 3.5Å; K127-E130 PolarHBondContact O-N 3.25Å; K127-Q131 WeakPolarHBondContact O-CG 3.45Å; K127-Q131 PolarHBondContact O-N 3.47Å |
| 128 | R | 97.4 | Very high | 96.2 | Very high | 180 Ų | 180 | 111 Ų | 111 | 68% | 0.679 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 174.3 | -178.5 | -177.5 | 175.7 | -177.5 | -0.3 | 111.6 | Q124 E125 R126 E130 Q131 E132 | Q124-R128 PolarHBondContact O-N 3.05Å; E125-R128 WeakPolarHBondContact O-CB 3.35Å; E125-R128 PolarHBondContact O-N 2.87Å; E125-R128 VanDerWaalsContact O-N 3.17Å; R126-R128 VanDerWaalsContact C-N 3.33Å; R126-R128 PolarHBondContact O-N 3.4Å; R128-E130 VanDerWaalsContact C-N 3.32Å; R128-E130 PolarHBondContact O-N 3.48Å; R128-Q131 PolarHBondContact O-N 3.25Å; R128-E132 PolarHBondContact O-N 3.36Å |
| 129 | L | 97.3 | Very high | 95.9 | Very high | 111 Ų | 111 | 111.1 Ų | 111.1 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -36.4 | 177.4 | -70.5 | 172.2 | 0 | 0 | 0 | 112.1 | E125 R126 R133 | E125-L129 WeakPolarHBondContact O-CG 3.45Å; E125-L129 PolarHBondContact O-N 3.15Å; R126-L129 PolarHBondContact O-N 3.1Å; L129-R133 VanDerWaalsContact O-CB 3.26Å; L129-R133 WeakPolarHBondContact O-CB 3.32Å; L129-R133 PolarHBondContact O-N 2.93Å |
| 130 | E | 95.7 | Very high | 95.5 | Very high | 79 Ų | 79 | 113.3 Ų | 113.3 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 173.9 | -77.1 | 171.8 | 178.7 | 0 | 0 | 111.2 | R126 K127 R128 R133 E134 | R126-E130 IonicContact CZ-OE1 3.65Å; R126-E130 IonicContact NE-OE1 3.32Å; R126-E130 PolarHBondContact NE-OE1 3.35Å; R126-E130 IonicContact NH2-OE1 4Å; R126-E130 PolarHBondContact NH2-OE1 2.89Å; R126-E130 WeakPolarHBondContact O-CB 3.33Å; R126-E130 WeakPolarHBondContact O-CG 3.28Å; R126-E130 PolarHBondContact O-N 2.97Å; K127-E130 PolarHBondContact O-N 3.25Å; R128-E130 VanDerWaalsContact C-N 3.32Å; R128-E130 PolarHBondContact O-N 3.48Å; E130-R133 WeakPolarHBondContact O-CB 3.46Å; E130-R133 PolarHBondContact O-N 2.9Å; E130-E134 WeakPolarHBondContact O-CG 3.21Å; E130-E134 PolarHBondContact O-N 3.01Å |
| 131 | Q | 96.6 | Very high | 95 | Very high | 117 Ų | 117 | 112.5 Ų | 112.5 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 175 | -72.9 | 175.3 | -16.6 | 0 | 0 | 112.9 | K127 R128 R133 E134 A135 | K127-Q131 WeakPolarHBondContact O-CG 3.45Å; K127-Q131 PolarHBondContact O-N 3.47Å; R128-Q131 PolarHBondContact O-N 3.25Å; Q131-R133 VanDerWaalsContact C-N 3.31Å; Q131-R133 PolarHBondContact O-N 2.93Å; Q131-E134 PolarHBondContact O-N 2.94Å; Q131-A135 PolarHBondContact O-N 2.9Å |
| 132 | E | 96.5 | Very high | 94.6 | Very high | 104 Ų | 104 | 115.4 Ų | 115.4 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.6 | -174.5 | 176.4 | 176.9 | 0 | 0 | 111.1 | R128 E134 A135 L136 | R128-E132 PolarHBondContact O-N 3.36Å; E132-E134 PolarHBondContact O-N 3.41Å; E132-A135 PolarHBondContact O-N 3.17Å; E132-L136 HydrophobicContact CG-CD1 4.25Å; E132-L136 WeakPolarHBondContact O-CB 3.36Å; E132-L136 WeakPolarHBondContact O-CG 3.25Å; E132-L136 PolarHBondContact O-N 3.3Å |
| 133 | R | 95.4 | Very high | 93.9 | Very high | 193 Ų | 193 | 116.6 Ų | 116.6 | 73% | 0.728 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 174.5 | -176.1 | -168.9 | 174.7 | -152.1 | -3.5 | 111.9 | L129 E130 Q131 N137 | L129-R133 VanDerWaalsContact O-CB 3.26Å; L129-R133 WeakPolarHBondContact O-CB 3.32Å; L129-R133 PolarHBondContact O-N 2.93Å; E130-R133 WeakPolarHBondContact O-CB 3.46Å; E130-R133 PolarHBondContact O-N 2.9Å; Q131-R133 VanDerWaalsContact C-N 3.31Å; Q131-R133 PolarHBondContact O-N 2.93Å; R133-N137 VanDerWaalsContact O-CB 3.28Å; R133-N137 WeakPolarHBondContact O-CB 3.39Å; R133-N137 PolarHBondContact O-N 3.26Å |
| 134 | E | 96.1 | Very high | 93.3 | Very high | 129 Ų | 129 | 113.2 Ų | 113.2 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -47.6 | 176.6 | -75.8 | 175.4 | -178.3 | 0 | 0 | 111.3 | E130 Q131 E132 L136 N137 D138 | E130-E134 WeakPolarHBondContact O-CG 3.21Å; E130-E134 PolarHBondContact O-N 3.01Å; Q131-E134 PolarHBondContact O-N 2.94Å; E132-E134 PolarHBondContact O-N 3.41Å; E134-L136 PolarHBondContact O-N 2.83Å; E134-N137 WeakPolarHBondContact O-CB 3.47Å; E134-N137 PolarHBondContact O-N 3.36Å; E134-D138 PolarHBondContact O-N 3.39Å |
| 135 | A | 96 | Very high | 92.6 | Very high | 60 Ų | 60 | 113.3 Ų | 113.3 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q131 E132 N137 D138 E139 | Q131-A135 PolarHBondContact O-N 2.9Å; E132-A135 PolarHBondContact O-N 3.17Å; A135-N137 VanDerWaalsContact C-N 3.3Å; A135-N137 PolarHBondContact O-N 3.32Å; A135-D138 PolarHBondContact O-N 3.02Å; A135-E139 PolarHBondContact O-N 3.49Å |
| 136 | L | 94.9 | Very high | 92 | Very high | 97 Ų | 97 | 112 Ų | 112 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 174.8 | -76.1 | 172 | 0 | 0 | 0 | 112.2 | E132 E134 K140 | E132-L136 HydrophobicContact CG-CD1 4.25Å; E132-L136 WeakPolarHBondContact O-CB 3.36Å; E132-L136 WeakPolarHBondContact O-CG 3.25Å; E132-L136 PolarHBondContact O-N 3.3Å; E134-L136 PolarHBondContact O-N 2.83Å; L136-K140 VanDerWaalsContact O-CB 3.27Å; L136-K140 WeakPolarHBondContact O-CB 3.34Å; L136-K140 PolarHBondContact O-N 2.99Å |
| 137 | N | 92.8 | Very high | 91.3 | Very high | 90 Ų | 90 | 106.8 Ų | 106.8 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -37 | 178 | -170.9 | 62.3 | 0 | 0 | 0 | 111.8 | R133 E134 A135 Q141 | R133-N137 VanDerWaalsContact O-CB 3.28Å; R133-N137 WeakPolarHBondContact O-CB 3.39Å; R133-N137 PolarHBondContact O-N 3.26Å; E134-N137 WeakPolarHBondContact O-CB 3.47Å; E134-N137 PolarHBondContact O-N 3.36Å; A135-N137 VanDerWaalsContact C-N 3.3Å; A135-N137 PolarHBondContact O-N 3.32Å; N137-Q141 WeakPolarHBondContact O-CB 3.23Å; N137-Q141 PolarHBondContact O-N 3.1Å |
| 138 | D | 92.9 | Very high | 90.6 | Very high | 85 Ų | 85 | 104.6 Ų | 104.6 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 174.2 | -75.5 | -8.5 | 0 | 0 | 0 | 111.8 | E134 A135 Q141 K142 | E134-D138 PolarHBondContact O-N 3.39Å; A135-D138 PolarHBondContact O-N 3.02Å; D138-Q141 PolarHBondContact O-N 2.69Å; D138-K142 WeakPolarHBondContact O-CG 3.47Å; D138-K142 PolarHBondContact O-N 3.05Å |
| 139 | E | 89.9 | Confident | 89.8 | Confident | 111 Ų | 111 | 100.4 Ų | 100.4 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.6 | -173.4 | 177.6 | -174.3 | 0 | 0 | 111.2 | A135 Q141 K142 L143 | A135-E139 PolarHBondContact O-N 3.49Å; E139-Q141 VanDerWaalsContact C-N 3.26Å; E139-Q141 PolarHBondContact O-N 2.7Å; E139-K142 PolarHBondContact O-N 3.43Å; E139-L143 HydrophobicContact CG-CD1 4.2Å; E139-L143 WeakPolarHBondContact O-CG 3.31Å; E139-L143 PolarHBondContact O-N 3.27Å |
| 140 | K | 88.2 | Confident | 89.2 | Confident | 107 Ų | 107 | 95.2 Ų | 95.2 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.3 | -45.8 | 172.2 | 176.4 | -172.8 | 174.9 | -177.9 | 0 | 110.9 | L136 K142 L143 V144 | L136-K140 VanDerWaalsContact O-CB 3.27Å; L136-K140 WeakPolarHBondContact O-CB 3.34Å; L136-K140 PolarHBondContact O-N 2.99Å; K140-K142 PolarHBondContact O-N 3.49Å; K140-L143 PolarHBondContact O-N 3.12Å; K140-V144 HydrophobicContact CG-CG2 4.14Å; K140-V144 WeakPolarHBondContact O-CB 3.39Å; K140-V144 WeakPolarHBondContact O-CG2 3.42Å; K140-V144 PolarHBondContact O-N 2.81Å |
| 141 | Q | 87.3 | Confident | 88.7 | Confident | 95 Ų | 95 | 93 Ų | 93 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | -178 | -163.9 | -178 | 28.5 | 0 | 0 | 112 | N137 D138 E139 K145 | N137-Q141 WeakPolarHBondContact O-CB 3.23Å; N137-Q141 PolarHBondContact O-N 3.1Å; D138-Q141 PolarHBondContact O-N 2.69Å; E139-Q141 VanDerWaalsContact C-N 3.26Å; E139-Q141 PolarHBondContact O-N 2.7Å; Q141-K145 HydrophobicContact CG-CD 4.08Å; Q141-K145 VanDerWaalsContact O-CB 3.32Å; Q141-K145 WeakPolarHBondContact O-CB 3.01Å; Q141-K145 VanDerWaalsContact O-CG 3.25Å; Q141-K145 WeakPolarHBondContact O-CG 3.38Å; Q141-K145 PolarHBondContact O-N 3.2Å |
| 142 | K | 87.9 | Confident | 88.3 | Confident | 150 Ų | 150 | 89.3 Ų | 89.3 | 65% | 0.652 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -48.8 | 174.4 | -72 | 171 | -175.1 | 172.8 | 0 | 111 | D138 E139 K140 K145 S146 | D138-K142 WeakPolarHBondContact O-CG 3.47Å; D138-K142 PolarHBondContact O-N 3.05Å; E139-K142 PolarHBondContact O-N 3.43Å; K140-K142 PolarHBondContact O-N 3.49Å; K142-K145 PolarHBondContact O-N 2.88Å; K142-S146 WeakPolarHBondContact O-CB 2.99Å; K142-S146 PolarHBondContact O-N 3.24Å; K142-S146 PolarHBondContact O-OG 3.09Å |
| 143 | L | 82.9 | Confident | 87.9 | Confident | 108 Ų | 108 | 86.9 Ų | 86.9 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.9 | -38.7 | -179.6 | -68.7 | 174.5 | 0 | 0 | 0 | 113.2 | E139 K140 K145 | E139-L143 HydrophobicContact CG-CD1 4.2Å; E139-L143 WeakPolarHBondContact O-CG 3.31Å; E139-L143 PolarHBondContact O-N 3.27Å; K140-L143 PolarHBondContact O-N 3.12Å; L143-K145 VanDerWaalsContact C-N 3.32Å |
| 144 | V | 83.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 21% | 0.206 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.5 | -32.7 | 177.3 | 171.2 | 0 | 0 | 0 | 0 | 111 | K140 L153 R154 | K140-V144 HydrophobicContact CG-CG2 4.14Å; K140-V144 WeakPolarHBondContact O-CB 3.39Å; K140-V144 WeakPolarHBondContact O-CG2 3.42Å; K140-V144 PolarHBondContact O-N 2.81Å; V144-L153 HydrophobicContact CG2-CD2 4.08Å; V144-R154 HydrophobicContact CG1-CG 3.93Å; V144-R154 PolarHBondContact O-NH1 3.09Å |
| 145 | K | 83.3 | Confident | 87.2 | Confident | 136 Ų | 136 | 80.7 Ų | 80.7 | 59% | 0.591 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -78.7 | -34 | 179.8 | -75.5 | 177.7 | 179.6 | 176 | 0 | 112.8 | Q141 K142 L143 R154 | Q141-K145 HydrophobicContact CG-CD 4.08Å; Q141-K145 VanDerWaalsContact O-CB 3.32Å; Q141-K145 WeakPolarHBondContact O-CB 3.01Å; Q141-K145 VanDerWaalsContact O-CG 3.25Å; Q141-K145 WeakPolarHBondContact O-CG 3.38Å; Q141-K145 PolarHBondContact O-N 3.2Å; K142-K145 PolarHBondContact O-N 2.88Å; L143-K145 VanDerWaalsContact C-N 3.32Å; K145-R154 PolarHBondContact O-NH1 3.21Å |
| 146 | S | 83.2 | Confident | 87 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -91.2 | 146 | -175.7 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | K142 | K142-S146 WeakPolarHBondContact O-CB 2.99Å; K142-S146 PolarHBondContact O-N 3.24Å; K142-S146 PolarHBondContact O-OG 3.09Å |
| 147 | G | 82.4 | Confident | 86.8 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | 78.3 | 166.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T149 G150 A151 | G147-T149 VanDerWaalsContact C-N 3.32Å; G147-T149 PolarHBondContact O-N 3.28Å; G147-G150 PolarHBondContact O-N 2.93Å; G147-A151 PolarHBondContact O-N 3.28Å |
| 148 | A | 82.1 | Confident | 86.7 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.9 | -32.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A151 A152 | A148-A151 PolarHBondContact O-N 3.39Å; A148-A152 PolarHBondContact O-N 3.47Å; A148-A152 VanDerWaalsContact O-N 3.08Å |
| 149 | T | 81.1 | Confident | 86.5 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 56% | 0.558 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.2 | -38.6 | 175.5 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | G147 A152 L153 | G147-T149 VanDerWaalsContact C-N 3.32Å; G147-T149 PolarHBondContact O-N 3.28Å; T149-A152 PolarHBondContact O-N 3.16Å; T149-L153 PolarHBondContact O-N 2.8Å; T149-L153 VanDerWaalsContact O-N 3.1Å |
| 150 | G | 85.1 | Confident | 86.7 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G147 L153 R154 | G147-G150 PolarHBondContact O-N 2.93Å; G150-L153 PolarHBondContact O-N 3.24Å; G150-R154 WeakPolarHBondContact O-CG 3.41Å; G150-R154 PolarHBondContact O-N 2.86Å; G150-R154 VanDerWaalsContact O-N 3.07Å |
| 151 | A | 85.5 | Confident | 86.9 | Confident | 31 Ų | 31 | 74.9 Ų | 74.9 | 26% | 0.256 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G147 A148 L153 R154 D155 | G147-A151 PolarHBondContact O-N 3.28Å; A148-A151 PolarHBondContact O-N 3.39Å; A151-L153 PolarHBondContact O-N 3.13Å; A151-R154 PolarHBondContact O-N 3.44Å; A151-D155 PolarHBondContact O-N 3.47Å |
| 152 | A | 87.4 | Confident | 87.1 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.9 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A148 T149 A156 | A148-A152 PolarHBondContact O-N 3.47Å; A148-A152 VanDerWaalsContact O-N 3.08Å; T149-A152 PolarHBondContact O-N 3.16Å; A152-A156 WeakPolarHBondContact O-CB 3.47Å; A152-A156 PolarHBondContact O-N 3.5Å |
| 153 | L | 87.6 | Confident | 87.4 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 27% | 0.272 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 175.1 | 177.1 | 61.8 | 0 | 0 | 0 | 112.9 | V144 T149 G150 A151 A156 L157 I269 | V144-L153 HydrophobicContact CG2-CD2 4.08Å; T149-L153 PolarHBondContact O-N 2.8Å; T149-L153 VanDerWaalsContact O-N 3.1Å; G150-L153 PolarHBondContact O-N 3.24Å; A151-L153 PolarHBondContact O-N 3.13Å; L153-A156 PolarHBondContact O-N 2.82Å; L153-L157 HydrophobicContact CD1-CD1 4.08Å; L153-L157 HydrophobicContact CD1-CG 4.18Å; L153-L157 HydrophobicContact CG-CD1 4.02Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.15Å; L153-I269 HydrophobicContact CB-CD1 3.9Å; L153-I269 HydrophobicContact CD1-CD1 3.53Å; L153-I269 HydrophobicContact CG-CD1 4.31Å |
| 154 | R | 88 | Confident | 87.9 | Confident | 107 Ų | 107 | 67 Ų | 67 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.1 | -70.3 | -174.8 | -55.6 | -112 | 7.2 | 111.1 | V144 K145 G150 A151 A156 L157 E158 | V144-R154 HydrophobicContact CG1-CG 3.93Å; V144-R154 PolarHBondContact O-NH1 3.09Å; K145-R154 PolarHBondContact O-NH1 3.21Å; G150-R154 WeakPolarHBondContact O-CG 3.41Å; G150-R154 PolarHBondContact O-N 2.86Å; G150-R154 VanDerWaalsContact O-N 3.07Å; A151-R154 PolarHBondContact O-N 3.44Å; R154-A156 VanDerWaalsContact C-N 3.3Å; R154-A156 PolarHBondContact O-N 3.47Å; R154-L157 PolarHBondContact O-N 2.88Å; R154-L157 VanDerWaalsContact O-N 3.12Å; R154-E158 WeakPolarHBondContact O-CB 3.19Å; R154-E158 PolarHBondContact O-N 3.22Å |
| 155 | D | 89.7 | Confident | 88.4 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 179.2 | -61.7 | -4.8 | 0 | 0 | 0 | 111.7 | A151 R159 | A151-D155 PolarHBondContact O-N 3.47Å; D155-R159 WeakPolarHBondContact O-CG 3.49Å; D155-R159 PolarHBondContact O-N 2.91Å; D155-R159 PolarHBondContact O-NE 2.97Å; D155-R159 VanDerWaalsContact O-NE 3.14Å |
| 156 | A | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A152 L153 R154 E160 A265 I269 | A152-A156 WeakPolarHBondContact O-CB 3.47Å; A152-A156 PolarHBondContact O-N 3.5Å; L153-A156 PolarHBondContact O-N 2.82Å; R154-A156 VanDerWaalsContact C-N 3.3Å; R154-A156 PolarHBondContact O-N 3.47Å; A156-E160 PolarHBondContact O-N 3.3Å; A156-A265 HydrophobicContact CB-CB 4.07Å; A156-I269 HydrophobicContact CB-CD1 4.09Å; A156-I269 HydrophobicContact CB-CG1 3.86Å |
| 157 | L | 91.2 | Very high | 89.4 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 176.6 | -76.1 | 168.9 | 0 | 0 | 0 | 113.1 | L153 R154 E160 T161 K261 H262 A265 | L153-L157 HydrophobicContact CD1-CD1 4.08Å; L153-L157 HydrophobicContact CD1-CG 4.18Å; L153-L157 HydrophobicContact CG-CD1 4.02Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.15Å; R154-L157 PolarHBondContact O-N 2.88Å; R154-L157 VanDerWaalsContact O-N 3.12Å; L157-E160 PolarHBondContact O-N 3.47Å; L157-T161 PolarHBondContact O-N 3.21Å; L157-T161 PolarHBondContact O-OG1 3.12Å; L157-K261 HydrophobicContact CD2-CD 4.48Å; L157-K261 HydrophobicContact CD2-CG 4.28Å; L157-K261 VanDerWaalsContact O-CE 3.27Å; L157-K261 WeakPolarHBondContact O-CE 3.28Å; L157-H262 WeakPolarHBondContact CD2-ND1 3.18Å; L157-A265 HydrophobicContact CD2-CB 3.66Å; L157-A265 HydrophobicContact CG-CB 3.95Å |
| 158 | E | 90.8 | Very high | 90 | Very high | 140 Ų | 140 | 66 Ų | 66 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 176.9 | -171 | 161.6 | -154.1 | 0 | 0 | 110.7 | R154 E160 T161 | R154-E158 WeakPolarHBondContact O-CB 3.19Å; R154-E158 PolarHBondContact O-N 3.22Å; E158-E160 VanDerWaalsContact C-N 3.28Å; E158-E160 PolarHBondContact O-N 3.42Å; E158-T161 WeakPolarHBondContact O-CB 3.31Å; E158-T161 PolarHBondContact O-N 3.33Å; E158-T161 PolarHBondContact O-OG1 3Å |
| 159 | R | 90 | Very high | 90.6 | Very high | 159 Ų | 159 | 64.5 Ų | 64.5 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.1 | -38.2 | 172.9 | -75.8 | 179.3 | -88.7 | 148.2 | -13 | 113.3 | D155 T161 | D155-R159 WeakPolarHBondContact O-CG 3.49Å; D155-R159 PolarHBondContact O-N 2.91Å; D155-R159 PolarHBondContact O-NE 2.97Å; D155-R159 VanDerWaalsContact O-NE 3.14Å; R159-T161 VanDerWaalsContact C-N 3.27Å; R159-T161 PolarHBondContact O-N 2.93Å |
| 160 | E | 93.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -1.5 | 177 | -65.3 | -57.1 | 140.5 | 0 | 0 | 114 | A156 L157 E158 W163 H164 K261 R264 | A156-E160 PolarHBondContact O-N 3.3Å; L157-E160 PolarHBondContact O-N 3.47Å; E158-E160 VanDerWaalsContact C-N 3.28Å; E158-E160 PolarHBondContact O-N 3.42Å; E160-W163 PolarHBondContact O-N 2.99Å; E160-H164 WeakPolarHBondContact O-CB 3.35Å; E160-H164 PolarHBondContact O-N 3.42Å; E160-K261 HydrophobicContact CB-CG 3.95Å; E160-R264 HydrophobicContact CG-CB 3.95Å; E160-R264 IonicContact OE2-NH1 3.71Å; E160-R264 PolarHBondContact OE2-NH1 3.48Å |
| 161 | T | 92.6 | Very high | 91.7 | Very high | 59 Ų | 59 | 62.2 Ų | 62.2 | 36% | 0.362 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.7 | -36 | -177.2 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | L157 E158 R159 H164 Q165 K261 | L157-T161 PolarHBondContact O-N 3.21Å; L157-T161 PolarHBondContact O-OG1 3.12Å; E158-T161 WeakPolarHBondContact O-CB 3.31Å; E158-T161 PolarHBondContact O-N 3.33Å; E158-T161 PolarHBondContact O-OG1 3Å; R159-T161 VanDerWaalsContact C-N 3.27Å; R159-T161 PolarHBondContact O-N 2.93Å; T161-H164 PolarHBondContact O-N 3.16Å; T161-Q165 WeakPolarHBondContact O-CB 3.42Å; T161-Q165 PolarHBondContact O-N 3.42Å; T161-K261 PolarHBondContact OG1-NZ 2.86Å |
| 162 | E | 92 | Very high | 92.2 | Very high | 132 Ų | 132 | 68.7 Ų | 68.7 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 174.5 | -67 | -174.2 | -178.6 | 0 | 0 | 112.1 | H164 Q165 R166 | E162-H164 VanDerWaalsContact C-N 3.34Å; E162-Q165 PolarHBondContact O-N 3.47Å; E162-R166 WeakPolarHBondContact O-CG 3.32Å; E162-R166 PolarHBondContact O-N 3.4Å; E162-R166 IonicContact OE2-NH1 2.65Å |
| 163 | W | 92.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 71 Ų | 71 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.5 | 175.7 | 87.8 | 0 | 0 | 0 | 111.1 | E160 Q165 R166 A167 V211 I257 Q260 K261 R264 | E160-W163 PolarHBondContact O-N 2.99Å; W163-Q165 VanDerWaalsContact C-N 3.33Å; W163-Q165 PolarHBondContact O-N 2.95Å; W163-R166 PolarHBondContact O-N 2.84Å; W163-A167 HydrophobicContact CH2-CB 4.48Å; W163-A167 HydrophobicContact CZ2-CB 4.5Å; W163-A167 WeakPolarHBondContact O-CB 3.27Å; W163-A167 PolarHBondContact O-N 2.91Å; W163-V211 HydrophobicContact CZ2-CG1 4.12Å; W163-I257 HydrophobicContact CH2-CG2 4.44Å; W163-I257 HydrophobicContact CZ3-CG2 4.23Å; W163-Q260 HydrophobicContact CH2-CB 3.63Å; W163-Q260 HydrophobicContact CZ3-CB 4.12Å; W163-K261 HydrophobicContact CZ3-CB 4.36Å; W163-R264 VanDerWaalsContact CE2-CZ 3.4Å |
| 164 | H | 93.8 | Very high | 92.9 | Very high | 40 Ų | 40 | 68.9 Ų | 68.9 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.5 | -178.2 | 78.9 | 0 | 0 | 0 | 111.8 | E160 T161 E162 R166 A167 V168 I257 K261 | E160-H164 WeakPolarHBondContact O-CB 3.35Å; E160-H164 PolarHBondContact O-N 3.42Å; T161-H164 PolarHBondContact O-N 3.16Å; E162-H164 VanDerWaalsContact C-N 3.34Å; H164-R166 PolarHBondContact O-N 3.4Å; H164-A167 PolarHBondContact O-N 2.93Å; H164-V168 WeakPolarHBondContact O-CG2 3.36Å; H164-V168 PolarHBondContact O-N 3.45Å; H164-I257 WeakPolarHBondContact ND1-CG2 3.16Å; H164-K261 HydrophobicContact CB-CD 3.9Å; H164-K261 HydrophobicContact CB-CG 4.37Å |
| 165 | Q | 94.5 | Very high | 93.3 | Very high | 108 Ų | 108 | 66.1 Ų | 66.1 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.6 | -169.7 | 64 | 14.9 | 0 | 0 | 111.5 | T161 E162 W163 V168 T169 | T161-Q165 WeakPolarHBondContact O-CB 3.42Å; T161-Q165 PolarHBondContact O-N 3.42Å; E162-Q165 PolarHBondContact O-N 3.47Å; W163-Q165 VanDerWaalsContact C-N 3.33Å; W163-Q165 PolarHBondContact O-N 2.95Å; Q165-V168 PolarHBondContact O-N 2.89Å; Q165-T169 PolarHBondContact O-N 2.84Å; Q165-T169 PolarHBondContact O-OG1 3.16Å |
| 166 | R | 92.9 | Very high | 93.6 | Very high | 131 Ų | 131 | 63.8 Ų | 63.8 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 173.3 | -72.2 | -170.6 | -66.9 | -105 | 3 | 111.3 | E162 W163 H164 V168 T169 I170 | E162-R166 WeakPolarHBondContact O-CG 3.32Å; E162-R166 PolarHBondContact O-N 3.4Å; E162-R166 IonicContact OE2-NH1 2.65Å; W163-R166 PolarHBondContact O-N 2.84Å; H164-R166 PolarHBondContact O-N 3.4Å; R166-V168 PolarHBondContact O-N 2.9Å; R166-T169 PolarHBondContact O-N 3.46Å; R166-I170 WeakPolarHBondContact O-CD1 3.49Å; R166-I170 VanDerWaalsContact O-CG1 3.26Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 3.06Å |
| 167 | A | 94.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W163 H164 I170 L171 V211 I257 | W163-A167 HydrophobicContact CH2-CB 4.48Å; W163-A167 HydrophobicContact CZ2-CB 4.5Å; W163-A167 WeakPolarHBondContact O-CB 3.27Å; W163-A167 PolarHBondContact O-N 2.91Å; H164-A167 PolarHBondContact O-N 2.93Å; A167-I170 PolarHBondContact O-N 3.21Å; A167-L171 WeakPolarHBondContact O-CB 3.48Å; A167-L171 PolarHBondContact O-N 2.78Å; A167-V211 HydrophobicContact CB-CG1 3.61Å; A167-I257 HydrophobicContact CB-CD1 3.95Å; A167-I257 HydrophobicContact CB-CG1 4.07Å; A167-I257 HydrophobicContact CB-CG2 3.76Å |
| 168 | V | 95.1 | Very high | 94 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | H164 Q165 R166 L171 R172 I257 | H164-V168 WeakPolarHBondContact O-CG2 3.36Å; H164-V168 PolarHBondContact O-N 3.45Å; Q165-V168 PolarHBondContact O-N 2.89Å; R166-V168 PolarHBondContact O-N 2.9Å; V168-L171 PolarHBondContact O-N 2.99Å; V168-R172 WeakPolarHBondContact O-CG 3.02Å; V168-R172 PolarHBondContact O-N 3.39Å; V168-I257 HydrophobicContact CG2-CG2 4.39Å |
| 169 | T | 95.4 | Very high | 94.2 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 176 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | Q165 R166 L171 R172 E173 | Q165-T169 PolarHBondContact O-N 2.84Å; Q165-T169 PolarHBondContact O-OG1 3.16Å; R166-T169 PolarHBondContact O-N 3.46Å; T169-L171 VanDerWaalsContact C-N 3.3Å; T169-L171 PolarHBondContact O-N 2.87Å; T169-R172 PolarHBondContact O-N 3.37Å; T169-E173 PolarHBondContact O-N 3.38Å |
| 170 | I | 93.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 177 | -63.4 | 156.3 | 0 | 0 | 0 | 110.9 | R166 A167 R172 E173 L174 N209 V211 T212 | R166-I170 WeakPolarHBondContact O-CD1 3.49Å; R166-I170 VanDerWaalsContact O-CG1 3.26Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 3.06Å; A167-I170 PolarHBondContact O-N 3.21Å; I170-R172 PolarHBondContact O-N 3.38Å; I170-E173 PolarHBondContact O-N 3.15Å; I170-L174 WeakPolarHBondContact O-CB 3.32Å; I170-L174 PolarHBondContact O-N 2.89Å; I170-N209 WeakPolarHBondContact CD1-ND2 3.19Å; I170-V211 HydrophobicContact CD1-CB 3.96Å; I170-V211 HydrophobicContact CD1-CG1 4.3Å; I170-V211 HydrophobicContact CD1-CG2 4.17Å; I170-T212 HydrophobicContact CG2-CG2 3.44Å; I170-T212 VanDerWaalsContact CG2-CG2 3.44Å |
| 171 | L | 95.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.2 | -176.9 | 62.8 | 0 | 0 | 0 | 112.1 | A167 V168 T169 L174 E175 L250 W253 Q254 I257 | A167-L171 WeakPolarHBondContact O-CB 3.48Å; A167-L171 PolarHBondContact O-N 2.78Å; V168-L171 PolarHBondContact O-N 2.99Å; T169-L171 VanDerWaalsContact C-N 3.3Å; T169-L171 PolarHBondContact O-N 2.87Å; L171-L174 PolarHBondContact O-N 3.34Å; L171-E175 PolarHBondContact O-N 3.49Å; L171-L250 HydrophobicContact CD1-CD2 3.76Å; L171-L250 HydrophobicContact CG-CD2 4.38Å; L171-W253 HydrophobicContact CD1-CB 3.88Å; L171-W253 HydrophobicContact CD1-CD2 4.38Å; L171-W253 HydrophobicContact CD1-CE3 3.62Å; L171-W253 HydrophobicContact CD1-CZ3 4.49Å; L171-W253 HydrophobicContact CD2-CB 4.34Å; L171-Q254 HydrophobicContact CD2-CB 4.08Å; L171-I257 HydrophobicContact CB-CD1 4.14Å; L171-I257 HydrophobicContact CD2-CD1 3.78Å; L171-I257 HydrophobicContact CG-CD1 4.5Å |
| 172 | R | 95.6 | Very high | 94.4 | Very high | 167 Ų | 167 | 51.8 Ų | 51.8 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.1 | -39.4 | 175 | -75.6 | 178.7 | 178.8 | 177.2 | 0.5 | 112.5 | V168 T169 I170 L174 E175 G176 | V168-R172 WeakPolarHBondContact O-CG 3.02Å; V168-R172 PolarHBondContact O-N 3.39Å; T169-R172 PolarHBondContact O-N 3.37Å; I170-R172 PolarHBondContact O-N 3.38Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-E175 WeakPolarHBondContact O-CB 3.4Å; R172-E175 PolarHBondContact O-N 3Å; R172-G176 PolarHBondContact O-N 3Å; R172-G176 VanDerWaalsContact O-N 3.15Å |
| 173 | E | 95 | Very high | 94.3 | Very high | 91 Ų | 91 | 47.7 Ų | 47.7 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 173.1 | -70.7 | 178.7 | -160.5 | 0 | 0 | 111.3 | T169 I170 G176 L177 K205 | T169-E173 PolarHBondContact O-N 3.38Å; I170-E173 PolarHBondContact O-N 3.15Å; E173-G176 PolarHBondContact O-N 3.32Å; E173-L177 WeakPolarHBondContact O-CG 3.36Å; E173-L177 PolarHBondContact O-N 3.28Å; E173-L177 VanDerWaalsContact O-N 3.09Å; E173-K205 WeakPolarHBondContact OE2-CE 3.47Å; E173-K205 IonicContact OE2-NZ 3.79Å; E173-K205 PolarHBondContact OE2-NZ 3.5Å |
| 174 | L | 94.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 177.3 | -174.2 | 62.1 | 0 | 0 | 0 | 112.1 | I170 L171 R172 G176 L177 L178 M202 V206 L217 L221 W253 | I170-L174 WeakPolarHBondContact O-CB 3.32Å; I170-L174 PolarHBondContact O-N 2.89Å; L171-L174 PolarHBondContact O-N 3.34Å; R172-L174 VanDerWaalsContact C-N 3.33Å; L174-G176 VanDerWaalsContact C-N 3.34Å; L174-G176 PolarHBondContact O-N 3.29Å; L174-L177 PolarHBondContact O-N 3.37Å; L174-L178 HydrophobicContact CG-CD1 4.24Å; L174-L178 WeakPolarHBondContact O-CB 3.32Å; L174-L178 WeakPolarHBondContact O-CG 3.28Å; L174-L178 PolarHBondContact O-N 3.32Å; L174-M202 HydrophobicContact CD1-CG 3.51Å; L174-M202 HydrophobicContact CD1-SD 3.62Å; L174-V206 HydrophobicContact CD1-CG2 4.12Å; L174-V206 HydrophobicContact CD2-CG2 4.24Å; L174-L217 HydrophobicContact CD2-CD1 3.94Å; L174-L221 HydrophobicContact CD1-CD1 4.22Å; L174-L221 HydrophobicContact CD1-CD2 4.28Å; L174-L221 HydrophobicContact CD2-CD2 4.49Å; L174-W253 HydrophobicContact CD2-CE3 4.18Å; L174-W253 HydrophobicContact CD2-CH2 4.07Å; L174-W253 HydrophobicContact CD2-CZ3 3.58Å; L174-W253 HydrophobicContact CG-CZ3 4.35Å |
| 175 | E | 95.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.6 | -49.8 | 171.3 | 177.8 | -173 | 157.3 | 0 | 0 | 110.8 | L171 R172 L177 L178 V179 R240 W247 L250 | L171-E175 PolarHBondContact O-N 3.49Å; R172-E175 WeakPolarHBondContact O-CB 3.4Å; R172-E175 PolarHBondContact O-N 3Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.46Å; E175-L178 PolarHBondContact O-N 2.97Å; E175-V179 WeakPolarHBondContact O-CG2 3.45Å; E175-V179 PolarHBondContact O-N 3.37Å; E175-R240 IonicContact OE1-CZ 2.75Å; E175-R240 IonicContact OE1-NH1 3.79Å; E175-R240 PolarHBondContact OE1-NH1 2.84Å; E175-R240 IonicContact OE1-NH2 2.7Å; E175-W247 HydrophobicContact CG-CH2 4.33Å; E175-W247 HydrophobicContact CG-CZ3 4.01Å; E175-L250 HydrophobicContact CB-CD1 4.12Å; E175-L250 HydrophobicContact CB-CD2 3.92Å; E175-L250 HydrophobicContact CG-CD1 3.84Å |
| 176 | G | 95.8 | Very high | 93.8 | Very high | 37 Ų | 37 | 45 Ų | 45 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R172 E173 L174 V179 E180 | R172-G176 PolarHBondContact O-N 3Å; R172-G176 VanDerWaalsContact O-N 3.15Å; E173-G176 PolarHBondContact O-N 3.32Å; L174-G176 VanDerWaalsContact C-N 3.34Å; L174-G176 PolarHBondContact O-N 3.29Å; G176-V179 PolarHBondContact O-N 2.93Å; G176-E180 PolarHBondContact O-N 2.91Å |
| 177 | L | 95.1 | Very high | 93.5 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 176.9 | -67.5 | 175.2 | 0 | 0 | 0 | 112.7 | E173 L174 E175 E180 R181 M202 K205 | E173-L177 WeakPolarHBondContact O-CG 3.36Å; E173-L177 PolarHBondContact O-N 3.28Å; E173-L177 VanDerWaalsContact O-N 3.09Å; L174-L177 PolarHBondContact O-N 3.37Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.46Å; L177-E180 PolarHBondContact O-N 3.33Å; L177-R181 WeakPolarHBondContact O-CB 3.29Å; L177-R181 PolarHBondContact O-N 2.99Å; L177-M202 HydrophobicContact CB-CE 3.85Å; L177-M202 HydrophobicContact CB-SD 4.39Å; L177-M202 HydrophobicContact CD1-CG 4.44Å; L177-K205 HydrophobicContact CD1-CD 3.98Å |
| 178 | L | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.5 | -76.7 | 169.4 | 0 | 0 | 0 | 111.8 | L174 E175 R181 Q182 M202 L221 I224 F225 M246 L250 W253 | L174-L178 HydrophobicContact CG-CD1 4.24Å; L174-L178 WeakPolarHBondContact O-CB 3.32Å; L174-L178 WeakPolarHBondContact O-CG 3.28Å; L174-L178 PolarHBondContact O-N 3.32Å; E175-L178 PolarHBondContact O-N 2.97Å; L178-R181 PolarHBondContact O-N 3.19Å; L178-Q182 WeakPolarHBondContact O-CB 3.45Å; L178-Q182 PolarHBondContact O-N 3.39Å; L178-M202 HydrophobicContact CD2-CE 4.16Å; L178-M202 HydrophobicContact CD2-SD 3.66Å; L178-M202 HydrophobicContact CG-CE 4.45Å; L178-M202 HydrophobicContact CG-SD 3.92Å; L178-L221 HydrophobicContact CD1-CD2 4.41Å; L178-L221 HydrophobicContact CD2-CD2 3.88Å; L178-L221 HydrophobicContact CG-CD2 4.45Å; L178-I224 HydrophobicContact CD2-CG2 4.26Å; L178-F225 HydrophobicContact CD2-CE1 4.07Å; L178-M246 HydrophobicContact CB-CE 3.49Å; L178-M246 VanDerWaalsContact CB-CE 3.49Å; L178-M246 HydrophobicContact CB-SD 4.01Å; L178-M246 HydrophobicContact CD1-CB 4.48Å; L178-L250 HydrophobicContact CD1-CD1 4.49Å; L178-L250 HydrophobicContact CD1-CD2 4.28Å; L178-L250 HydrophobicContact CD1-CG 4.32Å; L178-W253 HydrophobicContact CD1-CH2 4.34Å; L178-W253 HydrophobicContact CD1-CZ3 3.96Å |
| 179 | V | 95 | Very high | 92.5 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | E175 G176 Q182 N183 K239 M246 W247 | E175-V179 WeakPolarHBondContact O-CG2 3.45Å; E175-V179 PolarHBondContact O-N 3.37Å; G176-V179 PolarHBondContact O-N 2.93Å; V179-Q182 PolarHBondContact O-N 3.42Å; V179-N183 VanDerWaalsContact O-CB 3.28Å; V179-N183 WeakPolarHBondContact O-CB 3.34Å; V179-N183 PolarHBondContact O-N 2.95Å; V179-K239 HydrophobicContact CG1-CB 3.63Å; V179-K239 HydrophobicContact CG1-CD 4.37Å; V179-M246 HydrophobicContact CG2-CE 3.99Å; V179-W247 HydrophobicContact CG2-CH2 3.63Å; V179-W247 HydrophobicContact CG2-CZ2 3.92Å |
| 180 | E | 93.1 | Very high | 92 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 178.2 | -69 | -54.8 | 147.9 | 0 | 0 | 112.3 | G176 L177 Q182 N183 A184 K239 | G176-E180 PolarHBondContact O-N 2.91Å; L177-E180 PolarHBondContact O-N 3.33Å; E180-Q182 VanDerWaalsContact C-N 3.35Å; E180-Q182 PolarHBondContact O-N 2.92Å; E180-N183 PolarHBondContact O-N 2.92Å; E180-A184 WeakPolarHBondContact O-CB 3.45Å; E180-A184 PolarHBondContact O-N 2.77Å; E180-K239 IonicContact OE1-NZ 3.25Å; E180-K239 PolarHBondContact OE1-NZ 2.97Å; E180-K239 IonicContact OE2-NZ 3Å; E180-K239 PolarHBondContact OE2-NZ 2.81Å |
| 181 | R | 93.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.2 | -51.8 | 172.3 | 179.6 | -93.5 | 179.6 | -163.9 | -1 | 110.1 | L177 L178 N183 A184 Y185 E199 M202 F225 D228 | L177-R181 WeakPolarHBondContact O-CB 3.29Å; L177-R181 PolarHBondContact O-N 2.99Å; L178-R181 PolarHBondContact O-N 3.19Å; R181-N183 PolarHBondContact O-N 3.45Å; R181-A184 PolarHBondContact O-N 2.95Å; R181-A184 VanDerWaalsContact O-N 3.16Å; R181-Y185 HydrophobicContact CG-CD2 3.99Å; R181-Y185 HydrophobicContact CG-CE2 4.03Å; R181-Y185 VanDerWaalsContact NE-CE2 3.34Å; R181-Y185 WeakPolarHBondContact O-CD2 3.47Å; R181-Y185 PolarHBondContact O-N 3.21Å; R181-E199 HydrophobicContact CG-CG 4.31Å; R181-E199 IonicContact CZ-OE1 2.78Å; R181-E199 VanDerWaalsContact CZ-OE1 3.31Å; R181-E199 IonicContact NE-OE1 3.98Å; R181-E199 PolarHBondContact NE-OE1 3.31Å; R181-E199 IonicContact NH2-OE1 3.54Å; R181-E199 PolarHBondContact NH2-OE1 2.97Å; R181-M202 HydrophobicContact CB-CE 3.93Å; R181-M202 HydrophobicContact CG-CE 4.36Å; R181-F225 PolarHBondContact NH2-O 2.92Å; R181-F225 VanDerWaalsContact NH2-O 3.12Å; R181-D228 PolarHBondContact NH1-O 3.27Å |
| 182 | Q | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | -176.3 | -164.3 | 65.7 | 19.8 | 0 | 0 | 111.8 | L178 V179 E180 A184 Y185 C186 H230 N242 M246 | L178-Q182 WeakPolarHBondContact O-CB 3.45Å; L178-Q182 PolarHBondContact O-N 3.39Å; V179-Q182 PolarHBondContact O-N 3.42Å; E180-Q182 VanDerWaalsContact C-N 3.35Å; E180-Q182 PolarHBondContact O-N 2.92Å; Q182-A184 VanDerWaalsContact C-N 3.3Å; Q182-A184 PolarHBondContact O-N 3.25Å; Q182-Y185 PolarHBondContact O-N 2.94Å; Q182-C186 WeakPolarHBondContact O-CB 3.48Å; Q182-C186 PolarHBondContact O-N 2.7Å; Q182-C186 PolarHBondContact O-SG 3.01Å; Q182-H230 PolarHBondContact NE2-O 2.83Å; Q182-N242 HydrophobicContact CB-CB 4.26Å; Q182-N242 HydrophobicContact CG-CB 3.55Å; Q182-M246 HydrophobicContact CB-SD 4.16Å |
| 183 | N | 91 | Very high | 91.2 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 173.5 | -177.1 | 59.3 | 0 | 0 | 0 | 112.2 | V179 E180 R181 C186 S187 K239 | V179-N183 VanDerWaalsContact O-CB 3.28Å; V179-N183 WeakPolarHBondContact O-CB 3.34Å; V179-N183 PolarHBondContact O-N 2.95Å; E180-N183 PolarHBondContact O-N 2.92Å; R181-N183 PolarHBondContact O-N 3.45Å; N183-C186 PolarHBondContact O-N 2.04Å; N183-S187 WeakPolarHBondContact O-CB 3.29Å; N183-S187 PolarHBondContact O-N 3.23Å; N183-K239 HydrophobicContact CB-CB 4.41Å; N183-K239 HydrophobicContact CB-CD 4.07Å; N183-K239 HydrophobicContact CB-CG 4.24Å |
| 184 | A | 91.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.4 | -33.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E180 R181 Q182 S187 Q190 M198 | E180-A184 WeakPolarHBondContact O-CB 3.45Å; E180-A184 PolarHBondContact O-N 2.77Å; R181-A184 PolarHBondContact O-N 2.95Å; R181-A184 VanDerWaalsContact O-N 3.16Å; Q182-A184 VanDerWaalsContact C-N 3.3Å; Q182-A184 PolarHBondContact O-N 3.25Å; A184-S187 PolarHBondContact O-N 2.96Å; A184-Q190 HydrophobicContact CB-CB 4.34Å; A184-Q190 HydrophobicContact CB-CG 4.04Å; A184-M198 HydrophobicContact CB-CE 3.33Å; A184-M198 HydrophobicContact CB-SD 4.23Å |
| 185 | Y | 90.2 | Very high | 90.8 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71 | -34.2 | 174.6 | -92.1 | -89.5 | 0 | 0 | 0 | 113 | R181 Q182 R195 E199 | R181-Y185 HydrophobicContact CG-CD2 3.99Å; R181-Y185 HydrophobicContact CG-CE2 4.03Å; R181-Y185 VanDerWaalsContact NE-CE2 3.34Å; R181-Y185 WeakPolarHBondContact O-CD2 3.47Å; R181-Y185 PolarHBondContact O-N 3.21Å; Q182-Y185 PolarHBondContact O-N 2.94Å; Y185-R195 HydrophobicContact CD2-CB 4.29Å; Y185-R195 HydrophobicContact CD2-CG 4.29Å; Y185-R195 HydrophobicContact CE1-CB 4.34Å; Y185-R195 HydrophobicContact CE2-CB 3.69Å; Y185-R195 HydrophobicContact CE2-CG 4.17Å; Y185-R195 PolarHBondContact O-NH1 3.45Å; Y185-E199 HydrophobicContact CE2-CG 4.42Å; Y185-E199 WeakPolarHBondContact CE2-OE1 3.47Å; Y185-E199 PolarHBondContact OH-OE1 3.31Å; Y185-E199 PolarHBondContact OH-OE2 2.7Å |
| 186 | C | 89.6 | Confident | 90.6 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -79.9 | -16.9 | 175 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | Q182 N183 C231 | Q182-C186 WeakPolarHBondContact O-CB 3.48Å; Q182-C186 PolarHBondContact O-N 2.7Å; Q182-C186 PolarHBondContact O-SG 3.01Å; N183-C186 PolarHBondContact O-N 2.04Å; C186-C231 WeakPolarHBondContact CA-SG 3.4Å; C186-C231 HydrophobicContact CB-CB 3.7Å; C186-C231 WeakPolarHBondContact CB-SG 3.48Å; C186-C231 WeakPolarHBondContact SG-CA 3.46Å; C186-C231 WeakPolarHBondContact SG-CB 3.46Å; C186-C231 CovalentContact SG-SG 2.04Å; C186-C231 PolarHBondContact SG-SG 3.39Å |
| 187 | S | 86.2 | Confident | 90.5 | Very high | 39 Ų | 39 | 68.1 Ų | 68.1 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -74.9 | 137.7 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | N183 A184 I189 R195 | N183-S187 WeakPolarHBondContact O-CB 3.29Å; N183-S187 PolarHBondContact O-N 3.23Å; A184-S187 PolarHBondContact O-N 2.96Å; S187-I189 VanDerWaalsContact C-N 3.34Å; S187-I189 PolarHBondContact OG-N 2.98Å; S187-R195 PolarHBondContact O-NH2 2.87Å | ||
| 188 | L | 83.5 | Confident | 90.4 | Very high | 151 Ų | 151 | 67.1 Ų | 67.1 | 79% | 0.791 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -76.8 | -21 | 173.4 | -65.2 | 175.1 | 0 | 0 | 0 | 113.1 | L234 | L188-L234 HydrophobicContact CD1-CD2 3.97Š|
| 189 | I | 84 | Confident | 90.4 | Very high | 153 Ų | 153 | 68.3 Ų | 68.3 | 79% | 0.785 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -90.8 | -28.3 | -169.6 | -57.8 | 172.7 | 0 | 0 | 0 | 111.4 | S187 | S187-I189 VanDerWaalsContact C-N 3.34Å; S187-I189 PolarHBondContact OG-N 2.98Å |
| 190 | Q | 84.7 | Confident | 90.4 | Very high | 64 Ų | 64 | 73.5 Ų | 73.5 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -70.6 | 127.2 | -169.3 | -70.2 | -69.9 | 29.7 | 0 | 0 | 113.1 | A184 R195 | A184-Q190 HydrophobicContact CB-CB 4.34Å; A184-Q190 HydrophobicContact CB-CG 4.04Å; Q190-R195 VanDerWaalsContact O-CZ 3.31Å; Q190-R195 PolarHBondContact O-NE 2.91Å; Q190-R195 PolarHBondContact O-NH2 3.13Å |
| 191 | P | 90.3 | Very high | 90.4 | Very high | 73 Ų | 73 | 73.3 Ų | 73.3 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | trans | -60.7 | 151.4 | 179.4 | -23.9 | 33.7 | 0 | 0 | 0 | 113.9 | D193 Q194 R195 | P191-D193 VanDerWaalsContact C-N 3.34Å; P191-D193 PolarHBondContact O-N 3.37Å; P191-Q194 PolarHBondContact O-N 2.78Å; P191-R195 WeakPolarHBondContact O-CG 3.38Å; P191-R195 PolarHBondContact O-N 2.84Å | ||
| 192 | R | 87.9 | Confident | 90.5 | Very high | 200 Ų | 200 | 73.3 Ų | 73.3 | 76% | 0.755 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.1 | -39 | 178.8 | -175.2 | 177.1 | 179.7 | 172.7 | -0.9 | 112.8 | Q194 R195 L196 | R192-Q194 VanDerWaalsContact C-N 3.34Å; R192-Q194 PolarHBondContact O-N 3.38Å; R192-R195 WeakPolarHBondContact O-CB 3.3Å; R192-R195 PolarHBondContact O-N 3.3Å; R192-L196 HydrophobicContact CG-CD1 4.31Å; R192-L196 PolarHBondContact O-N 3.4Å; R192-L196 VanDerWaalsContact O-N 3.1Å |
| 193 | D | 89.5 | Confident | 90.6 | Very high | 127 Ų | 127 | 75 Ų | 75 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | -177.6 | -62.9 | -29.3 | 0 | 0 | 0 | 111.6 | P191 R195 L196 E197 | P191-D193 VanDerWaalsContact C-N 3.34Å; P191-D193 PolarHBondContact O-N 3.37Å; D193-R195 VanDerWaalsContact C-N 3.32Å; D193-R195 PolarHBondContact O-N 3.46Å; D193-L196 PolarHBondContact O-N 2.63Å; D193-E197 VanDerWaalsContact O-CB 3.31Å; D193-E197 WeakPolarHBondContact O-CB 3.44Å; D193-E197 PolarHBondContact O-N 3.22Å |
| 194 | Q | 89.6 | Confident | 90.7 | Very high | 91 Ų | 91 | 77.2 Ų | 77.2 | 43% | 0.425 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.4 | -169.9 | 174.8 | 13.9 | 0 | 0 | 111.7 | P191 R192 E197 M198 | P191-Q194 PolarHBondContact O-N 2.78Å; R192-Q194 VanDerWaalsContact C-N 3.34Å; R192-Q194 PolarHBondContact O-N 3.38Å; Q194-E197 PolarHBondContact O-N 3.04Å; Q194-M198 HydrophobicContact CG-CE 4.4Å; Q194-M198 WeakPolarHBondContact O-CE 3.28Å; Q194-M198 WeakPolarHBondContact O-CG 3.5Å; Q194-M198 PolarHBondContact O-N 3.01Å |
| 195 | R | 92.1 | Very high | 90.7 | Very high | 47 Ų | 47 | 81.6 Ų | 81.6 | 18% | 0.177 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 176.2 | -65.4 | 176 | -157.2 | -146.2 | -4 | 112.3 | Y185 S187 Q190 P191 R192 D193 M198 E199 | Y185-R195 HydrophobicContact CD2-CB 4.29Å; Y185-R195 HydrophobicContact CD2-CG 4.29Å; Y185-R195 HydrophobicContact CE1-CB 4.34Å; Y185-R195 HydrophobicContact CE2-CB 3.69Å; Y185-R195 HydrophobicContact CE2-CG 4.17Å; Y185-R195 PolarHBondContact O-NH1 3.45Å; S187-R195 PolarHBondContact O-NH2 2.87Å; Q190-R195 VanDerWaalsContact O-CZ 3.31Å; Q190-R195 PolarHBondContact O-NE 2.91Å; Q190-R195 PolarHBondContact O-NH2 3.13Å; P191-R195 WeakPolarHBondContact O-CG 3.38Å; P191-R195 PolarHBondContact O-N 2.84Å; R192-R195 WeakPolarHBondContact O-CB 3.3Å; R192-R195 PolarHBondContact O-N 3.3Å; D193-R195 VanDerWaalsContact C-N 3.32Å; D193-R195 PolarHBondContact O-N 3.46Å; R195-M198 HydrophobicContact CG-CE 4.43Å; R195-E199 PolarHBondContact O-N 3.44Å |
| 196 | L | 92.8 | Very high | 90.8 | Very high | 66 Ų | 66 | 78.6 Ų | 78.6 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 178.1 | -68.4 | 173.5 | 0 | 0 | 0 | 112 | R192 D193 E199 K200 | R192-L196 HydrophobicContact CG-CD1 4.31Å; R192-L196 PolarHBondContact O-N 3.4Å; R192-L196 VanDerWaalsContact O-N 3.1Å; D193-L196 PolarHBondContact O-N 2.63Å; L196-E199 PolarHBondContact O-N 3.33Å; L196-K200 WeakPolarHBondContact O-CG 3.37Å; L196-K200 PolarHBondContact O-N 2.9Å |
| 197 | E | 93.8 | Very high | 90.9 | Very high | 91 Ų | 91 | 80.6 Ų | 80.6 | 43% | 0.425 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 179.2 | -169.2 | 53.9 | -145.8 | 0 | 0 | 111.8 | D193 Q194 E199 K200 N201 | D193-E197 VanDerWaalsContact O-CB 3.31Å; D193-E197 WeakPolarHBondContact O-CB 3.44Å; D193-E197 PolarHBondContact O-N 3.22Å; Q194-E197 PolarHBondContact O-N 3.04Å; E197-E199 PolarHBondContact O-N 3.34Å; E197-K200 PolarHBondContact O-N 3.06Å; E197-N201 WeakPolarHBondContact CG-ND2 3.35Å; E197-N201 WeakPolarHBondContact O-CB 3.4Å; E197-N201 PolarHBondContact O-N 3.01Å; E197-N201 PolarHBondContact O-ND2 2.94Å; E197-N201 PolarHBondContact OE1-ND2 3.33Å |
| 198 | M | 92.5 | Very high | 91 | Very high | 47 Ų | 47 | 86.8 Ų | 86.8 | 23% | 0.232 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 172.8 | -75.5 | -177 | -68.9 | 0 | 0 | 112.3 | A184 Q194 R195 M202 | A184-M198 HydrophobicContact CB-CE 3.33Å; A184-M198 HydrophobicContact CB-SD 4.23Å; Q194-M198 HydrophobicContact CG-CE 4.4Å; Q194-M198 WeakPolarHBondContact O-CE 3.28Å; Q194-M198 WeakPolarHBondContact O-CG 3.5Å; Q194-M198 PolarHBondContact O-N 3.01Å; R195-M198 HydrophobicContact CG-CE 4.43Å; M198-M202 WeakPolarHBondContact O-CB 3.17Å; M198-M202 PolarHBondContact O-N 2.93Å |
| 199 | E | 94.8 | Very high | 91.3 | Very high | 27 Ų | 27 | 81.7 Ų | 81.7 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 179.2 | -71.3 | -178.4 | 179.7 | 0 | 0 | 112.2 | R181 Y185 R195 L196 E197 M202 L203 F225 | R181-E199 HydrophobicContact CG-CG 4.31Å; R181-E199 IonicContact CZ-OE1 2.78Å; R181-E199 VanDerWaalsContact CZ-OE1 3.31Å; R181-E199 IonicContact NE-OE1 3.98Å; R181-E199 PolarHBondContact NE-OE1 3.31Å; R181-E199 IonicContact NH2-OE1 3.54Å; R181-E199 PolarHBondContact NH2-OE1 2.97Å; Y185-E199 HydrophobicContact CE2-CG 4.42Å; Y185-E199 WeakPolarHBondContact CE2-OE1 3.47Å; Y185-E199 PolarHBondContact OH-OE1 3.31Å; Y185-E199 PolarHBondContact OH-OE2 2.7Å; R195-E199 PolarHBondContact O-N 3.44Å; L196-E199 PolarHBondContact O-N 3.33Å; E197-E199 PolarHBondContact O-N 3.34Å; E199-M202 PolarHBondContact O-N 3.29Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.46Å; E199-F225 HydrophobicContact CB-CD2 3.86Å; E199-F225 HydrophobicContact CB-CE2 3.67Å; E199-F225 HydrophobicContact CB-CZ 4.25Å; E199-F225 HydrophobicContact CG-CD1 4.23Å; E199-F225 HydrophobicContact CG-CD2 3.78Å; E199-F225 HydrophobicContact CG-CE1 4.31Å; E199-F225 HydrophobicContact CG-CE2 3.85Å; E199-F225 HydrophobicContact CG-CG 3.98Å; E199-F225 HydrophobicContact CG-CZ 4.14Å |
| 200 | K | 95 | Very high | 91.5 | Very high | 122 Ų | 122 | 78.7 Ų | 78.7 | 53% | 0.53 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.6 | -72.3 | 175.1 | -176.5 | 174.4 | 0 | 111.7 | L196 E197 M202 L203 L204 | L196-K200 WeakPolarHBondContact O-CG 3.37Å; L196-K200 PolarHBondContact O-N 2.9Å; E197-K200 PolarHBondContact O-N 3.06Å; K200-M202 VanDerWaalsContact C-N 3.28Å; K200-M202 PolarHBondContact O-N 3.11Å; K200-L203 PolarHBondContact O-N 3.06Å; K200-L204 WeakPolarHBondContact O-CG 3.49Å; K200-L204 PolarHBondContact O-N 3.36Å |
| 201 | N | 94.7 | Very high | 91.6 | Very high | 82 Ų | 82 | 76.3 Ų | 76.3 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 179.5 | -75.9 | -41.3 | 0 | 0 | 0 | 112 | E197 K205 | E197-N201 WeakPolarHBondContact CG-ND2 3.35Å; E197-N201 WeakPolarHBondContact O-CB 3.4Å; E197-N201 PolarHBondContact O-N 3.01Å; E197-N201 PolarHBondContact O-ND2 2.94Å; E197-N201 PolarHBondContact OE1-ND2 3.33Å; N201-K205 WeakPolarHBondContact O-CB 3.42Å; N201-K205 PolarHBondContact O-N 3.36Å |
| 202 | M | 94.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.5 | -163.4 | 179.6 | -46 | 0 | 0 | 112 | L174 L177 L178 R181 M198 E199 K200 K205 V206 L221 F225 | L174-M202 HydrophobicContact CD1-CG 3.51Å; L174-M202 HydrophobicContact CD1-SD 3.62Å; L177-M202 HydrophobicContact CB-CE 3.85Å; L177-M202 HydrophobicContact CB-SD 4.39Å; L177-M202 HydrophobicContact CD1-CG 4.44Å; L178-M202 HydrophobicContact CD2-CE 4.16Å; L178-M202 HydrophobicContact CD2-SD 3.66Å; L178-M202 HydrophobicContact CG-CE 4.45Å; L178-M202 HydrophobicContact CG-SD 3.92Å; R181-M202 HydrophobicContact CB-CE 3.93Å; R181-M202 HydrophobicContact CG-CE 4.36Å; M198-M202 WeakPolarHBondContact O-CB 3.17Å; M198-M202 PolarHBondContact O-N 2.93Å; E199-M202 PolarHBondContact O-N 3.29Å; K200-M202 VanDerWaalsContact C-N 3.28Å; K200-M202 PolarHBondContact O-N 3.11Å; M202-K205 PolarHBondContact O-N 3.16Å; M202-V206 PolarHBondContact O-N 2.95Å; M202-L221 HydrophobicContact CG-CD1 4.14Å; M202-L221 HydrophobicContact SD-CD1 4.39Å; M202-L221 HydrophobicContact SD-CD2 3.75Å; M202-F225 HydrophobicContact CB-CZ 4.18Å; M202-F225 HydrophobicContact CE-CE1 4.23Å; M202-F225 HydrophobicContact CE-CZ 4.19Å; M202-F225 HydrophobicContact CG-CZ 4.29Å; M202-F225 HydrophobicContact SD-CE1 3.86Å; M202-F225 HydrophobicContact SD-CZ 3.65Å |
| 203 | L | 95.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.1 | -69.3 | 170.3 | 0 | 0 | 0 | 111.6 | E199 K200 K205 V206 V207 E218 L221 K222 F225 | E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.46Å; K200-L203 PolarHBondContact O-N 3.06Å; L203-K205 VanDerWaalsContact C-N 3.28Å; L203-K205 PolarHBondContact O-N 3.22Å; L203-V206 PolarHBondContact O-N 2.85Å; L203-V207 WeakPolarHBondContact O-CG2 3.23Å; L203-V207 PolarHBondContact O-N 3.34Å; L203-E218 HydrophobicContact CD2-CG 4.01Å; L203-L221 HydrophobicContact CD2-CB 3.94Å; L203-L221 HydrophobicContact CD2-CD1 4.29Å; L203-K222 HydrophobicContact CD2-CG 4.16Å; L203-F225 HydrophobicContact CD1-CE2 4.16Å; L203-F225 HydrophobicContact CD2-CE2 4.09Å; L203-F225 HydrophobicContact CG-CE2 3.87Å |
| 204 | L | 93 | Very high | 91.1 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 49% | 0.492 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 177 | -72.4 | 173.5 | 0 | 0 | 0 | 111.8 | K200 K208 | K200-L204 WeakPolarHBondContact O-CG 3.49Å; K200-L204 PolarHBondContact O-N 3.36Å; L204-K208 WeakPolarHBondContact O-CB 3.36Å; L204-K208 WeakPolarHBondContact O-CG 3.41Å; L204-K208 PolarHBondContact O-N 3.35Å |
| 205 | K | 91.6 | Very high | 90.9 | Very high | 94 Ų | 94 | 62.3 Ų | 62.3 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.8 | -169.2 | 175 | 179.8 | -176.7 | 0 | 111.8 | E173 L177 N201 M202 L203 N209 | E173-K205 WeakPolarHBondContact OE2-CE 3.47Å; E173-K205 IonicContact OE2-NZ 3.79Å; E173-K205 PolarHBondContact OE2-NZ 3.5Å; L177-K205 HydrophobicContact CD1-CD 3.98Å; N201-K205 WeakPolarHBondContact O-CB 3.42Å; N201-K205 PolarHBondContact O-N 3.36Å; M202-K205 PolarHBondContact O-N 3.16Å; L203-K205 VanDerWaalsContact C-N 3.28Å; L203-K205 PolarHBondContact O-N 3.22Å; K205-N209 PolarHBondContact O-N 3.15Å |
| 206 | V | 92.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.6 | -37.8 | 178.6 | 160.5 | 0 | 0 | 0 | 0 | 112.8 | L174 M202 L203 T212 L217 E218 L221 | L174-V206 HydrophobicContact CD1-CG2 4.12Å; L174-V206 HydrophobicContact CD2-CG2 4.24Å; M202-V206 PolarHBondContact O-N 2.95Å; L203-V206 PolarHBondContact O-N 2.85Å; V206-T212 PolarHBondContact O-OG1 3.49Å; V206-L217 HydrophobicContact CG1-CB 3.7Å; V206-E218 HydrophobicContact CG1-CB 4.31Å; V206-L221 HydrophobicContact CB-CD1 4.04Å; V206-L221 HydrophobicContact CG1-CD1 4.25Å; V206-L221 HydrophobicContact CG2-CD1 3.55Å |
| 207 | V | 90.7 | Very high | 90.7 | Very high | 76 Ų | 76 | 58.6 Ų | 58.6 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.2 | -36.2 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L203 N209 E218 | L203-V207 WeakPolarHBondContact O-CG2 3.23Å; L203-V207 PolarHBondContact O-N 3.34Å; V207-N209 VanDerWaalsContact C-N 3.28Å; V207-N209 PolarHBondContact O-N 3.02Å; V207-E218 HydrophobicContact CG2-CB 4.35Å; V207-E218 HydrophobicContact CG2-CG 3.86Å; V207-E218 WeakPolarHBondContact CG2-OE2 3.26Å |
| 208 | K | 89.8 | Confident | 90.7 | Very high | 168 Ų | 168 | 57.9 Ų | 57.9 | 73% | 0.73 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.7 | -21.9 | 179.9 | -76 | 178 | 179.5 | -176.4 | 0 | 113.8 | L204 | L204-K208 WeakPolarHBondContact O-CB 3.36Å; L204-K208 WeakPolarHBondContact O-CG 3.41Å; L204-K208 PolarHBondContact O-N 3.35Å |
| 209 | N | 89.3 | Confident | 90.8 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | trans | -95.5 | 120.6 | -176.4 | -171.2 | -43 | 0 | 0 | 0 | 110.6 | I170 K205 V207 V211 T212 A213 | I170-N209 WeakPolarHBondContact CD1-ND2 3.19Å; K205-N209 PolarHBondContact O-N 3.15Å; V207-N209 VanDerWaalsContact C-N 3.28Å; V207-N209 PolarHBondContact O-N 3.02Å; N209-V211 VanDerWaalsContact C-N 3.26Å; N209-V211 PolarHBondContact O-N 3.38Å; N209-V211 WeakPolarHBondContact OD1-CB 3.37Å; N209-V211 PolarHBondContact OD1-N 2.95Å; N209-T212 WeakPolarHBondContact CB-OG1 3.29Å; N209-T212 PolarHBondContact O-N 3.32Å; N209-T212 PolarHBondContact O-OG1 2.75Å; N209-A213 PolarHBondContact O-N 2.86Å | ||
| 210 | P | 87.1 | Confident | 90.8 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.3 | -32.5 | -175.2 | 25 | -34.2 | 0 | 0 | 0 | 112.5 | T212 A213 E214 | P210-T212 VanDerWaalsContact C-N 3.32Å; P210-T212 PolarHBondContact O-N 2.99Å; P210-A213 PolarHBondContact O-N 3.14Å; P210-E214 WeakPolarHBondContact O-CG 3.37Å; P210-E214 PolarHBondContact O-N 3.23Å |
| 211 | V | 87.5 | Confident | 90.8 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 111 | W163 A167 I170 N209 L215 | W163-V211 HydrophobicContact CZ2-CG1 4.12Å; A167-V211 HydrophobicContact CB-CG1 3.61Å; I170-V211 HydrophobicContact CD1-CB 3.96Å; I170-V211 HydrophobicContact CD1-CG1 4.3Å; I170-V211 HydrophobicContact CD1-CG2 4.17Å; N209-V211 VanDerWaalsContact C-N 3.26Å; N209-V211 PolarHBondContact O-N 3.38Å; N209-V211 WeakPolarHBondContact OD1-CB 3.37Å; N209-V211 PolarHBondContact OD1-N 2.95Å; V211-L215 HydrophobicContact CG1-CD1 4.45Å; V211-L215 WeakPolarHBondContact O-CD1 3.28Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.47Å; V211-L215 PolarHBondContact O-N 3.29Å |
| 212 | T | 87.5 | Confident | 90.9 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.2 | -27.4 | -179.3 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | I170 V206 N209 P210 L215 G216 L217 | I170-T212 HydrophobicContact CG2-CG2 3.44Å; I170-T212 VanDerWaalsContact CG2-CG2 3.44Å; V206-T212 PolarHBondContact O-OG1 3.49Å; N209-T212 WeakPolarHBondContact CB-OG1 3.29Å; N209-T212 PolarHBondContact O-N 3.32Å; N209-T212 PolarHBondContact O-OG1 2.75Å; P210-T212 VanDerWaalsContact C-N 3.32Å; P210-T212 PolarHBondContact O-N 2.99Å; T212-L215 PolarHBondContact O-N 3.28Å; T212-G216 PolarHBondContact O-N 3.49Å; T212-L217 HydrophobicContact CG2-CD1 3.54Å; T212-L217 HydrophobicContact CG2-CG 4.38Å; T212-L217 PolarHBondContact O-N 2.86Å |
| 213 | A | 84.5 | Confident | 91 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N209 P210 L215 G216 | N209-A213 PolarHBondContact O-N 2.86Å; P210-A213 PolarHBondContact O-N 3.14Å; A213-L215 PolarHBondContact O-N 3.37Å; A213-G216 PolarHBondContact O-N 3.45Å; A213-G216 VanDerWaalsContact O-N 3.08Å |
| 214 | E | 84.9 | Confident | 91 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -31.3 | 175.1 | -73.1 | 179.6 | -153 | 0 | 0 | 113.4 | P210 G216 R264 | P210-E214 WeakPolarHBondContact O-CG 3.37Å; P210-E214 PolarHBondContact O-N 3.23Å; E214-G216 VanDerWaalsContact C-N 3.31Å; E214-R264 IonicContact OE1-NH2 3.38Å; E214-R264 PolarHBondContact OE1-NH2 3.42Å; E214-R264 IonicContact OE2-CZ 3.17Å; E214-R264 IonicContact OE2-NH2 2.61Å; E214-R264 PolarHBondContact OE2-NH2 2.8Å |
| 215 | L | 86.2 | Confident | 91.1 | Very high | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -8 | 177.9 | -67.3 | 169.7 | 0 | 0 | 0 | 113.2 | V211 T212 A213 L217 Q256 I257 Q260 | V211-L215 HydrophobicContact CG1-CD1 4.45Å; V211-L215 WeakPolarHBondContact O-CD1 3.28Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.47Å; V211-L215 PolarHBondContact O-N 3.29Å; T212-L215 PolarHBondContact O-N 3.28Å; A213-L215 PolarHBondContact O-N 3.37Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 HydrophobicContact CB-CD2 3.66Å; L215-L217 HydrophobicContact CB-CG 3.88Å; L215-L217 HydrophobicContact CD1-CD2 4.5Å; L215-L217 PolarHBondContact O-N 3.18Å; L215-Q256 HydrophobicContact CD2-CB 4.42Å; L215-Q256 HydrophobicContact CD2-CG 3.79Å; L215-I257 HydrophobicContact CD1-CD1 4.16Å; L215-I257 HydrophobicContact CD1-CG1 3.63Å; L215-I257 HydrophobicContact CD2-CG1 4.21Å; L215-Q260 HydrophobicContact CD2-CG 4.14Å |
| 216 | G | 87.4 | Confident | 91.2 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 24.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T212 A213 E214 E218 S219 | T212-G216 PolarHBondContact O-N 3.49Å; A213-G216 PolarHBondContact O-N 3.45Å; A213-G216 VanDerWaalsContact O-N 3.08Å; E214-G216 VanDerWaalsContact C-N 3.31Å; G216-E218 PolarHBondContact O-N 2.86Å; G216-E218 VanDerWaalsContact O-N 3.09Å; G216-S219 PolarHBondContact O-N 3.31Å; G216-S219 PolarHBondContact O-OG 3.18Å |
| 217 | L | 93.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -20.3 | -170.9 | -56.1 | -166.3 | 0 | 0 | 0 | 114.1 | L174 V206 T212 L215 D220 L221 W253 | L174-L217 HydrophobicContact CD2-CD1 3.94Å; V206-L217 HydrophobicContact CG1-CB 3.7Å; T212-L217 HydrophobicContact CG2-CD1 3.54Å; T212-L217 HydrophobicContact CG2-CG 4.38Å; T212-L217 PolarHBondContact O-N 2.86Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 HydrophobicContact CB-CD2 3.66Å; L215-L217 HydrophobicContact CB-CG 3.88Å; L215-L217 HydrophobicContact CD1-CD2 4.5Å; L215-L217 PolarHBondContact O-N 3.18Å; L217-D220 PolarHBondContact O-N 2.95Å; L217-L221 WeakPolarHBondContact O-CB 3.43Å; L217-L221 WeakPolarHBondContact O-CG 3.25Å; L217-L221 PolarHBondContact O-N 2.93Å; L217-W253 HydrophobicContact CD2-CB 4.35Å; L217-W253 HydrophobicContact CD2-CD2 3.74Å; L217-W253 HydrophobicContact CD2-CG 3.59Å; L217-W253 HydrophobicContact CD2-CZ2 4.35Å |
| 218 | E | 93.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | -177.9 | -169.4 | -163.1 | 158.2 | 0 | 0 | 112.4 | L203 V206 V207 G216 D220 L221 K222 | L203-E218 HydrophobicContact CD2-CG 4.01Å; V206-E218 HydrophobicContact CG1-CB 4.31Å; V207-E218 HydrophobicContact CG2-CB 4.35Å; V207-E218 HydrophobicContact CG2-CG 3.86Å; V207-E218 WeakPolarHBondContact CG2-OE2 3.26Å; G216-E218 PolarHBondContact O-N 2.86Å; G216-E218 VanDerWaalsContact O-N 3.09Å; E218-D220 VanDerWaalsContact C-N 3.3Å; E218-D220 PolarHBondContact O-N 2.75Å; E218-L221 PolarHBondContact O-N 3.44Å; E218-K222 WeakPolarHBondContact O-CG 3.23Å; E218-K222 PolarHBondContact O-N 3.02Å; E218-K222 VanDerWaalsContact O-N 3.11Å; E218-K222 VanDerWaalsContact OE1-CE 3.25Å; E218-K222 WeakPolarHBondContact OE1-CE 3.48Å; E218-K222 IonicContact OE1-NZ 3.33Å; E218-K222 PolarHBondContact OE1-NZ 2.95Å |
| 219 | S | 94 | Very high | 91.4 | Very high | 74 Ų | 74 | 59 Ų | 59 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.1 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | G216 K222 D223 | G216-S219 PolarHBondContact O-N 3.31Å; G216-S219 PolarHBondContact O-OG 3.18Å; S219-K222 WeakPolarHBondContact O-CB 3.31Å; S219-K222 PolarHBondContact O-N 2.85Å; S219-D223 PolarHBondContact O-N 3.27Å |
| 220 | D | 95 | Very high | 91.5 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | -178.5 | -65.1 | 0.3 | 0 | 0 | 0 | 110.8 | L217 E218 K222 D223 I224 Y249 W253 | L217-D220 PolarHBondContact O-N 2.95Å; E218-D220 VanDerWaalsContact C-N 3.3Å; E218-D220 PolarHBondContact O-N 2.75Å; D220-K222 PolarHBondContact O-N 3.4Å; D220-D223 WeakPolarHBondContact O-CB 3.4Å; D220-D223 PolarHBondContact O-N 3Å; D220-I224 WeakPolarHBondContact O-CG1 3.31Å; D220-I224 PolarHBondContact O-N 3.5Å; D220-Y249 HydrophobicContact CB-CD1 3.71Å; D220-Y249 HydrophobicContact CB-CE1 3.58Å; D220-W253 HydrophobicContact CB-CZ2 3.51Å; D220-W253 PolarHBondContact OD2-NE1 3.26Å |
| 221 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.2 | -80.3 | 176.8 | 0 | 0 | 0 | 112.5 | L174 L178 M202 L203 V206 L217 E218 D223 I224 F225 W253 | L174-L221 HydrophobicContact CD1-CD1 4.22Å; L174-L221 HydrophobicContact CD1-CD2 4.28Å; L174-L221 HydrophobicContact CD2-CD2 4.49Å; L178-L221 HydrophobicContact CD1-CD2 4.41Å; L178-L221 HydrophobicContact CD2-CD2 3.88Å; L178-L221 HydrophobicContact CG-CD2 4.45Å; M202-L221 HydrophobicContact CG-CD1 4.14Å; M202-L221 HydrophobicContact SD-CD1 4.39Å; M202-L221 HydrophobicContact SD-CD2 3.75Å; L203-L221 HydrophobicContact CD2-CB 3.94Å; L203-L221 HydrophobicContact CD2-CD1 4.29Å; V206-L221 HydrophobicContact CB-CD1 4.04Å; V206-L221 HydrophobicContact CG1-CD1 4.25Å; V206-L221 HydrophobicContact CG2-CD1 3.55Å; L217-L221 WeakPolarHBondContact O-CB 3.43Å; L217-L221 WeakPolarHBondContact O-CG 3.25Å; L217-L221 PolarHBondContact O-N 2.93Å; E218-L221 PolarHBondContact O-N 3.44Å; L221-D223 PolarHBondContact O-N 2.89Å; L221-I224 HydrophobicContact CD2-CD1 4.39Å; L221-I224 PolarHBondContact O-N 3.44Å; L221-F225 HydrophobicContact CB-CE2 4.38Å; L221-F225 HydrophobicContact CB-CZ 4.16Å; L221-F225 HydrophobicContact CD2-CE1 4.04Å; L221-F225 HydrophobicContact CD2-CZ 4.07Å; L221-F225 WeakPolarHBondContact O-CD1 3.45Å; L221-F225 WeakPolarHBondContact O-CG 3.29Å; L221-F225 PolarHBondContact O-N 2.71Å; L221-W253 HydrophobicContact CD2-CH2 3.8Å; L221-W253 HydrophobicContact CG-CH2 4.11Å |
| 222 | K | 95.7 | Very high | 91.6 | Very high | 105 Ų | 105 | 60 Ų | 60 | 46% | 0.457 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 175.2 | -72.2 | 173.2 | -174.5 | 168.6 | 0 | 111.5 | L203 E218 S219 D220 K226 | L203-K222 HydrophobicContact CD2-CG 4.16Å; E218-K222 WeakPolarHBondContact O-CG 3.23Å; E218-K222 PolarHBondContact O-N 3.02Å; E218-K222 VanDerWaalsContact O-N 3.11Å; E218-K222 VanDerWaalsContact OE1-CE 3.25Å; E218-K222 WeakPolarHBondContact OE1-CE 3.48Å; E218-K222 IonicContact OE1-NZ 3.33Å; E218-K222 PolarHBondContact OE1-NZ 2.95Å; S219-K222 WeakPolarHBondContact O-CB 3.31Å; S219-K222 PolarHBondContact O-N 2.85Å; D220-K222 PolarHBondContact O-N 3.4Å; K222-K226 WeakPolarHBondContact O-CB 3.38Å; K222-K226 PolarHBondContact O-N 3.45Å |
| 223 | D | 95.9 | Very high | 91.3 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 175.7 | -166.8 | 60 | 0 | 0 | 0 | 111.8 | S219 D220 L221 F225 K226 R227 Y249 | S219-D223 PolarHBondContact O-N 3.27Å; D220-D223 WeakPolarHBondContact O-CB 3.4Å; D220-D223 PolarHBondContact O-N 3Å; L221-D223 PolarHBondContact O-N 2.89Å; D223-F225 PolarHBondContact O-N 2.75Å; D223-K226 PolarHBondContact O-N 3.45Å; D223-R227 WeakPolarHBondContact O-CB 3.48Å; D223-R227 PolarHBondContact O-N 3Å; D223-R227 VanDerWaalsContact OD1-CD 3.29Å; D223-R227 WeakPolarHBondContact OD1-CD 3.27Å; D223-R227 IonicContact OD1-CZ 2.7Å; D223-R227 IonicContact OD1-NE 3.87Å; D223-R227 PolarHBondContact OD1-NE 2.93Å; D223-R227 IonicContact OD1-NH2 3.54Å; D223-R227 IonicContact OD2-NE 3.68Å; D223-Y249 PolarHBondContact OD2-OH 2.99Å |
| 224 | I | 95.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 174.4 | -66 | 166.7 | 0 | 0 | 0 | 110.5 | L178 D220 L221 K226 R227 D228 M246 Y249 W253 | L178-I224 HydrophobicContact CD2-CG2 4.26Å; D220-I224 WeakPolarHBondContact O-CG1 3.31Å; D220-I224 PolarHBondContact O-N 3.5Å; L221-I224 HydrophobicContact CD2-CD1 4.39Å; L221-I224 PolarHBondContact O-N 3.44Å; I224-K226 PolarHBondContact O-N 2.86Å; I224-R227 PolarHBondContact O-N 3.11Å; I224-D228 HydrophobicContact CG2-CB 4.01Å; I224-D228 VanDerWaalsContact O-CB 3.26Å; I224-D228 WeakPolarHBondContact O-CB 3.07Å; I224-D228 PolarHBondContact O-N 2.88Å; I224-M246 HydrophobicContact CG2-CB 3.98Å; I224-Y249 HydrophobicContact CD1-CD1 4.44Å; I224-Y249 HydrophobicContact CD1-CD2 3.83Å; I224-Y249 HydrophobicContact CD1-CG 3.71Å; I224-Y249 HydrophobicContact CG1-CD2 3.46Å; I224-Y249 VanDerWaalsContact CG1-CD2 3.46Å; I224-Y249 HydrophobicContact CG1-CE2 3.89Å; I224-Y249 HydrophobicContact CG1-CG 3.87Å; I224-W253 HydrophobicContact CD1-CH2 3.56Å; I224-W253 HydrophobicContact CD1-CZ2 3.94Å; I224-W253 HydrophobicContact CD1-CZ3 4.45Å |
| 225 | F | 94.8 | Very high | 90 | Very high | 24 Ų | 24 | 74.1 Ų | 74.1 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -35.5 | -177.2 | -61.8 | -13.8 | 0 | 0 | 0 | 112.5 | L178 R181 E199 M202 L203 L221 D223 | L178-F225 HydrophobicContact CD2-CE1 4.07Å; R181-F225 PolarHBondContact NH2-O 2.92Å; R181-F225 VanDerWaalsContact NH2-O 3.12Å; E199-F225 HydrophobicContact CB-CD2 3.86Å; E199-F225 HydrophobicContact CB-CE2 3.67Å; E199-F225 HydrophobicContact CB-CZ 4.25Å; E199-F225 HydrophobicContact CG-CD1 4.23Å; E199-F225 HydrophobicContact CG-CD2 3.78Å; E199-F225 HydrophobicContact CG-CE1 4.31Å; E199-F225 HydrophobicContact CG-CE2 3.85Å; E199-F225 HydrophobicContact CG-CG 3.98Å; E199-F225 HydrophobicContact CG-CZ 4.14Å; M202-F225 HydrophobicContact CB-CZ 4.18Å; M202-F225 HydrophobicContact CE-CE1 4.23Å; M202-F225 HydrophobicContact CE-CZ 4.19Å; M202-F225 HydrophobicContact CG-CZ 4.29Å; M202-F225 HydrophobicContact SD-CE1 3.86Å; M202-F225 HydrophobicContact SD-CZ 3.65Å; L203-F225 HydrophobicContact CD1-CE2 4.16Å; L203-F225 HydrophobicContact CD2-CE2 4.09Å; L203-F225 HydrophobicContact CG-CE2 3.87Å; L221-F225 HydrophobicContact CB-CE2 4.38Å; L221-F225 HydrophobicContact CB-CZ 4.16Å; L221-F225 HydrophobicContact CD2-CE1 4.04Å; L221-F225 HydrophobicContact CD2-CZ 4.07Å; L221-F225 WeakPolarHBondContact O-CD1 3.45Å; L221-F225 WeakPolarHBondContact O-CG 3.29Å; L221-F225 PolarHBondContact O-N 2.71Å; D223-F225 PolarHBondContact O-N 2.75Å |
| 226 | K | 94.6 | Very high | 89.5 | Confident | 145 Ų | 145 | 75.2 Ų | 75.2 | 63% | 0.63 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -75.3 | -37.7 | -179.9 | -173 | 175 | -179 | 178.1 | 0 | 112.9 | K222 D223 I224 | K222-K226 WeakPolarHBondContact O-CB 3.38Å; K222-K226 PolarHBondContact O-N 3.45Å; D223-K226 PolarHBondContact O-N 3.45Å; I224-K226 PolarHBondContact O-N 2.86Å |
| 227 | R | 94.5 | Very high | 89.1 | Confident | 156 Ų | 156 | 82.4 Ų | 82.4 | 59% | 0.589 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -110.2 | -27 | -166.1 | -62.1 | -173.9 | -167.9 | -95 | 3.7 | 114.8 | D223 I224 R229 L245 | D223-R227 WeakPolarHBondContact O-CB 3.48Å; D223-R227 PolarHBondContact O-N 3Å; D223-R227 VanDerWaalsContact OD1-CD 3.29Å; D223-R227 WeakPolarHBondContact OD1-CD 3.27Å; D223-R227 IonicContact OD1-CZ 2.7Å; D223-R227 IonicContact OD1-NE 3.87Å; D223-R227 PolarHBondContact OD1-NE 2.93Å; D223-R227 IonicContact OD1-NH2 3.54Å; D223-R227 IonicContact OD2-NE 3.68Å; I224-R227 PolarHBondContact O-N 3.11Å; R227-R229 PolarHBondContact O-N 2.86Å; R227-R229 VanDerWaalsContact O-N 3.16Å; R227-L245 HydrophobicContact CB-CD2 3.58Å |
| 228 | D | 93.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 85.5 Ų | 85.5 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | trans | -81 | 101.7 | -177.6 | -156.7 | -13.9 | 0 | 0 | 0 | 111.4 | R181 I224 H230 G243 S244 L245 M246 | R181-D228 PolarHBondContact NH1-O 3.27Å; I224-D228 HydrophobicContact CG2-CB 4.01Å; I224-D228 VanDerWaalsContact O-CB 3.26Å; I224-D228 WeakPolarHBondContact O-CB 3.07Å; I224-D228 PolarHBondContact O-N 2.88Å; D228-H230 PolarHBondContact OD1-N 2.91Å; D228-G243 WeakPolarHBondContact OD1-CA 3.36Å; D228-S244 PolarHBondContact OD1-N 2.96Å; D228-S244 VanDerWaalsContact OD1-N 3.16Å; D228-S244 PolarHBondContact OD2-N 2.76Å; D228-L245 HydrophobicContact CB-CB 3.96Å; D228-L245 PolarHBondContact OD2-N 3.14Å; D228-L245 VanDerWaalsContact OD2-N 3.13Å; D228-M246 WeakPolarHBondContact OD2-CG 3.48Å; D228-M246 PolarHBondContact OD2-N 3.48Å | ||
| 229 | R | 88.4 | Confident | 88.5 | Confident | 207 Ų | 207 | 85.6 Ų | 85.6 | 78% | 0.781 | 42% | 0.415 | S | S | * | . | trans | -120.2 | 8.1 | -179.5 | -59.6 | -177 | -176.9 | 169.8 | 0.1 | 112.4 | R227 C231 | R227-R229 PolarHBondContact O-N 2.86Å; R227-R229 VanDerWaalsContact O-N 3.16Å; R229-C231 PolarHBondContact O-N 3.31Å | ||
| 230 | H | 90.9 | Very high | 88.3 | Confident | 92 Ų | 92 | 88.7 Ų | 88.7 | 43% | 0.426 | 42% | 0.416 | S | S | . | . | trans | -73.2 | 126.4 | -177.2 | -176.7 | 65.1 | 0 | 0 | 0 | 110.1 | Q182 D228 G243 | Q182-H230 PolarHBondContact NE2-O 2.83Å; D228-H230 PolarHBondContact OD1-N 2.91Å; H230-G243 WeakPolarHBondContact O-CA 3.26Å; H230-G243 PolarHBondContact O-N 2.91Å | ||
| 231 | C | 90.3 | Very high | 88.1 | Confident | 54 Ų | 54 | 93.1 Ų | 93.1 | 37% | 0.365 | 43% | 0.434 | S | S | . | . | trans | -122.8 | 135.3 | 171.5 | -65.2 | 0 | 0 | 0 | 0 | 107.8 | C186 R229 | C186-C231 WeakPolarHBondContact CA-SG 3.4Å; C186-C231 HydrophobicContact CB-CB 3.7Å; C186-C231 WeakPolarHBondContact CB-SG 3.48Å; C186-C231 WeakPolarHBondContact SG-CA 3.46Å; C186-C231 WeakPolarHBondContact SG-CB 3.46Å; C186-C231 CovalentContact SG-SG 2.04Å; C186-C231 PolarHBondContact SG-SG 3.39Å; R229-C231 PolarHBondContact O-N 3.31Å | ||
| 232 | A | 86.9 | Confident | 87.8 | Confident | 25 Ų | 25 | 93.6 Ų | 93.6 | 21% | 0.207 | 44% | 0.436 | C | S | . | . | trans | -69.4 | 174.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N236 K241 N242 | A232-N236 HydrophobicContact CB-CB 3.95Å; A232-N236 VanDerWaalsContact CB-ND2 3.27Å; A232-N236 WeakPolarHBondContact CB-ND2 3.39Å; A232-K241 HydrophobicContact CB-CB 3.75Å; A232-N242 WeakPolarHBondContact CB-OD1 3.34Å; A232-N242 PolarHBondContact N-OD1 2.81Å | ||
| 233 | D | 81.8 | Confident | 87.6 | Confident | 141 Ų | 141 | 88.8 Ų | 88.8 | 75% | 0.754 | 42% | 0.416 | S | S | * | . | trans | -51.2 | 148.8 | 179.8 | -66.8 | -34.4 | 0 | 0 | 0 | 112.9 | M235 N236 | D233-M235 PolarHBondContact O-N 3.28Å; D233-N236 WeakPolarHBondContact O-CB 3.46Å; D233-N236 PolarHBondContact O-N 3.38Å | ||
| 234 | L | 69.5 | Low | 87.4 | Confident | 159 Ų | 159 | 90.1 Ų | 90.1 | 83% | 0.832 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.6 | -178.4 | -83.9 | 105.8 | 0 | 0 | 0 | 114.1 | L188 N236 | L188-L234 HydrophobicContact CD1-CD2 3.97Å; L234-N236 VanDerWaalsContact C-N 3.3Å |
| 235 | M | 72.1 | Confident | 87.4 | Confident | 173 Ų | 173 | 92.2 Ų | 92.2 | 85% | 0.852 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 10.7 | 178.5 | -60.2 | -59.5 | -71.9 | 0 | 0 | 112.9 | D233 M237 | D233-M235 PolarHBondContact O-N 3.28Å; M235-M237 PolarHBondContact O-N 3.47Å |
| 236 | N | 76.8 | Confident | 87.4 | Confident | 41 Ų | 41 | 91 Ų | 91 | 22% | 0.219 | 44% | 0.435 | C | S | . | . | trans | -73.5 | 120.6 | -178.2 | 178.5 | 38.7 | 0 | 0 | 0 | 111.4 | A232 D233 L234 D238 | A232-N236 HydrophobicContact CB-CB 3.95Å; A232-N236 VanDerWaalsContact CB-ND2 3.27Å; A232-N236 WeakPolarHBondContact CB-ND2 3.39Å; D233-N236 WeakPolarHBondContact O-CB 3.46Å; D233-N236 PolarHBondContact O-N 3.38Å; L234-N236 VanDerWaalsContact C-N 3.3Å; N236-D238 PolarHBondContact ND2-O 2.93Å; N236-D238 PolarHBondContact OD1-N 3.31Å | ||
| 237 | M | 77.7 | Confident | 87.5 | Confident | 182 Ų | 182 | 87.7 Ų | 87.7 | 90% | 0.897 | 42% | 0.418 | S | S | * | . | trans | -83.9 | -17.8 | 175.6 | -62.3 | -61.4 | -68.6 | 0 | 0 | 112.9 | M235 | M235-M237 PolarHBondContact O-N 3.47Š| ||
| 238 | D | 86.6 | Confident | 87.5 | Confident | 70 Ų | 70 | 84.8 Ų | 84.8 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | trans | -97.5 | 102.1 | -176.3 | -177.2 | 4.9 | 0 | 0 | 0 | 111.8 | N236 R240 K241 | N236-D238 PolarHBondContact ND2-O 2.93Å; N236-D238 PolarHBondContact OD1-N 3.31Å; D238-R240 PolarHBondContact O-N 3.03Å; D238-R240 VanDerWaalsContact OD1-CB 3.28Å; D238-R240 WeakPolarHBondContact OD1-CB 3.29Å; D238-R240 PolarHBondContact OD1-N 3.2Å; D238-K241 HydrophobicContact CB-CD 4.4Å; D238-K241 HydrophobicContact CB-CG 4.23Å; D238-K241 PolarHBondContact O-N 2.94Å; D238-K241 VanDerWaalsContact O-N 3.11Å | ||
| 239 | K | 87.9 | Confident | 87.7 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 34% | 0.335 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -54.1 | -25.2 | 178.3 | -57.6 | -174.5 | -176.5 | -176.9 | 0 | 113.4 | V179 E180 N183 K241 N242 | V179-K239 HydrophobicContact CG1-CB 3.63Å; V179-K239 HydrophobicContact CG1-CD 4.37Å; E180-K239 IonicContact OE1-NZ 3.25Å; E180-K239 PolarHBondContact OE1-NZ 2.97Å; E180-K239 IonicContact OE2-NZ 3Å; E180-K239 PolarHBondContact OE2-NZ 2.81Å; N183-K239 HydrophobicContact CB-CB 4.41Å; N183-K239 HydrophobicContact CB-CD 4.07Å; N183-K239 HydrophobicContact CB-CG 4.24Å; K239-K241 VanDerWaalsContact C-N 3.26Å; K239-K241 PolarHBondContact O-N 3.5Å; K239-N242 WeakPolarHBondContact O-CB 3.24Å; K239-N242 PolarHBondContact O-N 3.24Å |
| 240 | R | 90.9 | Very high | 88 | Confident | 139 Ų | 139 | 77.5 Ų | 77.5 | 53% | 0.525 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -72.4 | -17.1 | -176.7 | -62.6 | 177.5 | 171.8 | -89 | -2.8 | 113.7 | E175 D238 W247 | E175-R240 IonicContact OE1-CZ 2.75Å; E175-R240 IonicContact OE1-NH1 3.79Å; E175-R240 PolarHBondContact OE1-NH1 2.84Å; E175-R240 IonicContact OE1-NH2 2.7Å; D238-R240 PolarHBondContact O-N 3.03Å; D238-R240 VanDerWaalsContact OD1-CB 3.28Å; D238-R240 WeakPolarHBondContact OD1-CB 3.29Å; D238-R240 PolarHBondContact OD1-N 3.2Å; R240-W247 HydrophobicContact CB-CH2 4.39Å; R240-W247 HydrophobicContact CB-CZ2 4.08Å; R240-W247 HydrophobicContact CG-CH2 4.44Å; R240-W247 WeakPolarHBondContact O-CZ2 3.08Å; R240-W247 PolarHBondContact O-NE1 2.99Å; R240-W247 VanDerWaalsContact O-NE1 3.15Å |
| 241 | K | 89.5 | Confident | 88.2 | Confident | 122 Ų | 122 | 79.1 Ų | 79.1 | 53% | 0.53 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -78.8 | -11.9 | 174.6 | -58.8 | -175.7 | -176 | 172.4 | 0 | 112.9 | A232 D238 K239 | A232-K241 HydrophobicContact CB-CB 3.75Å; D238-K241 HydrophobicContact CB-CD 4.4Å; D238-K241 HydrophobicContact CB-CG 4.23Å; D238-K241 PolarHBondContact O-N 2.94Å; D238-K241 VanDerWaalsContact O-N 3.11Å; K239-K241 VanDerWaalsContact C-N 3.26Å; K239-K241 PolarHBondContact O-N 3.5Å |
| 242 | N | 90.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -78.5 | 144.9 | 174.1 | -59.5 | -37.7 | 0 | 0 | 0 | 109.8 | Q182 A232 K239 W247 | Q182-N242 HydrophobicContact CB-CB 4.26Å; Q182-N242 HydrophobicContact CG-CB 3.55Å; A232-N242 WeakPolarHBondContact CB-OD1 3.34Å; A232-N242 PolarHBondContact N-OD1 2.81Å; K239-N242 WeakPolarHBondContact O-CB 3.24Å; K239-N242 PolarHBondContact O-N 3.24Å; N242-W247 PolarHBondContact O-NE1 3.3Å |
| 243 | G | 90.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 80.5 Ų | 80.5 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | trans | 79.7 | 147.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D228 H230 W247 | D228-G243 WeakPolarHBondContact OD1-CA 3.36Å; H230-G243 WeakPolarHBondContact O-CA 3.26Å; H230-G243 PolarHBondContact O-N 2.91Å; G243-W247 PolarHBondContact O-NE1 3.46Å | ||
| 244 | S | 92.9 | Very high | 89.5 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -127.2 | -45 | 175.7 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | D228 W247 | D228-S244 PolarHBondContact OD1-N 2.96Å; D228-S244 VanDerWaalsContact OD1-N 3.16Å; D228-S244 PolarHBondContact OD2-N 2.76Å; S244-W247 PolarHBondContact O-N 2.91Å |
| 245 | L | 95.1 | Very high | 90.7 | Very high | 44 Ų | 44 | 76.1 Ų | 76.1 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70 | -39 | -178.9 | -174.3 | 60.5 | 0 | 0 | 0 | 111.6 | R227 D228 W247 V248 Y249 | R227-L245 HydrophobicContact CB-CD2 3.58Å; D228-L245 HydrophobicContact CB-CB 3.96Å; D228-L245 PolarHBondContact OD2-N 3.14Å; D228-L245 VanDerWaalsContact OD2-N 3.13Å; L245-W247 PolarHBondContact O-N 3.32Å; L245-V248 WeakPolarHBondContact O-CB 3.42Å; L245-V248 PolarHBondContact O-N 2.68Å; L245-V248 VanDerWaalsContact O-N 3.09Å; L245-Y249 HydrophobicContact CD1-CD2 3.89Å; L245-Y249 HydrophobicContact CD1-CE2 3.66Å; L245-Y249 HydrophobicContact CD2-CE2 4.07Å; L245-Y249 HydrophobicContact CG-CD2 3.77Å; L245-Y249 HydrophobicContact CG-CE2 3.68Å; L245-Y249 WeakPolarHBondContact O-CD2 3.18Å; L245-Y249 PolarHBondContact O-N 3.48Å |
| 246 | M | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -35.7 | 178.8 | 64.7 | 166.2 | -83.5 | 0 | 0 | 112.7 | L178 V179 Q182 I224 D228 Y249 L250 | L178-M246 HydrophobicContact CB-CE 3.49Å; L178-M246 VanDerWaalsContact CB-CE 3.49Å; L178-M246 HydrophobicContact CB-SD 4.01Å; L178-M246 HydrophobicContact CD1-CB 4.48Å; V179-M246 HydrophobicContact CG2-CE 3.99Å; Q182-M246 HydrophobicContact CB-SD 4.16Å; I224-M246 HydrophobicContact CG2-CB 3.98Å; D228-M246 WeakPolarHBondContact OD2-CG 3.48Å; D228-M246 PolarHBondContact OD2-N 3.48Å; M246-Y249 PolarHBondContact O-N 3.41Å; M246-L250 HydrophobicContact CE-CD1 3.85Å; M246-L250 WeakPolarHBondContact O-CB 3.42Å; M246-L250 VanDerWaalsContact O-CG 3.29Å; M246-L250 WeakPolarHBondContact O-CG 3.25Å; M246-L250 PolarHBondContact O-N 3.5Å |
| 247 | W | 95.7 | Very high | 92.7 | Very high | 74 Ų | 74 | 68.1 Ų | 68.1 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.1 | -36 | 179.5 | -63.1 | 115.9 | 0 | 0 | 0 | 112.3 | E175 V179 R240 N242 G243 S244 L245 L250 K251 | E175-W247 HydrophobicContact CG-CH2 4.33Å; E175-W247 HydrophobicContact CG-CZ3 4.01Å; V179-W247 HydrophobicContact CG2-CH2 3.63Å; V179-W247 HydrophobicContact CG2-CZ2 3.92Å; R240-W247 HydrophobicContact CB-CH2 4.39Å; R240-W247 HydrophobicContact CB-CZ2 4.08Å; R240-W247 HydrophobicContact CG-CH2 4.44Å; R240-W247 WeakPolarHBondContact O-CZ2 3.08Å; R240-W247 PolarHBondContact O-NE1 2.99Å; R240-W247 VanDerWaalsContact O-NE1 3.15Å; N242-W247 PolarHBondContact O-NE1 3.3Å; G243-W247 PolarHBondContact O-NE1 3.46Å; S244-W247 PolarHBondContact O-N 2.91Å; L245-W247 PolarHBondContact O-N 3.32Å; W247-L250 HydrophobicContact CD2-CD1 4.42Å; W247-L250 HydrophobicContact CE3-CD1 3.55Å; W247-L250 HydrophobicContact CZ3-CD1 3.63Å; W247-L250 PolarHBondContact O-N 2.92Å; W247-K251 PolarHBondContact O-N 2.86Å |
| 248 | V | 96.1 | Very high | 93.4 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 58% | 0.582 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.7 | -47.4 | 173.7 | -180 | 0 | 0 | 0 | 0 | 109.9 | L245 K251 Y252 | L245-V248 WeakPolarHBondContact O-CB 3.42Å; L245-V248 PolarHBondContact O-N 2.68Å; L245-V248 VanDerWaalsContact O-N 3.09Å; V248-K251 PolarHBondContact O-N 2.92Å; V248-Y252 WeakPolarHBondContact O-CB 3.13Å; V248-Y252 PolarHBondContact O-N 3.18Å |
| 249 | Y | 95.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.6 | -86.6 | -82 | 0 | 0 | 0 | 112.7 | D220 D223 I224 L245 M246 K251 Y252 W253 | D220-Y249 HydrophobicContact CB-CD1 3.71Å; D220-Y249 HydrophobicContact CB-CE1 3.58Å; D223-Y249 PolarHBondContact OD2-OH 2.99Å; I224-Y249 HydrophobicContact CD1-CD1 4.44Å; I224-Y249 HydrophobicContact CD1-CD2 3.83Å; I224-Y249 HydrophobicContact CD1-CG 3.71Å; I224-Y249 HydrophobicContact CG1-CD2 3.46Å; I224-Y249 VanDerWaalsContact CG1-CD2 3.46Å; I224-Y249 HydrophobicContact CG1-CE2 3.89Å; I224-Y249 HydrophobicContact CG1-CG 3.87Å; L245-Y249 HydrophobicContact CD1-CD2 3.89Å; L245-Y249 HydrophobicContact CD1-CE2 3.66Å; L245-Y249 HydrophobicContact CD2-CE2 4.07Å; L245-Y249 HydrophobicContact CG-CD2 3.77Å; L245-Y249 HydrophobicContact CG-CE2 3.68Å; L245-Y249 WeakPolarHBondContact O-CD2 3.18Å; L245-Y249 PolarHBondContact O-N 3.48Å; M246-Y249 PolarHBondContact O-N 3.41Å; Y249-K251 VanDerWaalsContact C-N 3.29Å; Y249-K251 PolarHBondContact O-N 3.43Å; Y249-Y252 HydrophobicContact CD1-CD1 4.46Å; Y249-Y252 CarbonylContact O-C 3.58Å; Y249-Y252 WeakPolarHBondContact O-CB 3.2Å; Y249-Y252 PolarHBondContact O-N 3.38Å; Y249-Y252 VanDerWaalsContact O-N 3.15Å; Y249-W253 HydrophobicContact CD1-CZ2 4.1Å; Y249-W253 AromaticContact CD1-NE1 3.95Å; Y249-W253 HydrophobicContact CG-CZ2 4.38Å; Y249-W253 PolarHBondContact O-N 3.48Å |
| 250 | L | 95.7 | Very high | 94 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 175.2 | -78.6 | 167.8 | 0 | 0 | 0 | 111.8 | L171 E175 L178 M246 W247 W253 Q254 | L171-L250 HydrophobicContact CD1-CD2 3.76Å; L171-L250 HydrophobicContact CG-CD2 4.38Å; E175-L250 HydrophobicContact CB-CD1 4.12Å; E175-L250 HydrophobicContact CB-CD2 3.92Å; E175-L250 HydrophobicContact CG-CD1 3.84Å; L178-L250 HydrophobicContact CD1-CD1 4.49Å; L178-L250 HydrophobicContact CD1-CD2 4.28Å; L178-L250 HydrophobicContact CD1-CG 4.32Å; M246-L250 HydrophobicContact CE-CD1 3.85Å; M246-L250 WeakPolarHBondContact O-CB 3.42Å; M246-L250 VanDerWaalsContact O-CG 3.29Å; M246-L250 WeakPolarHBondContact O-CG 3.25Å; M246-L250 PolarHBondContact O-N 3.5Å; W247-L250 HydrophobicContact CD2-CD1 4.42Å; W247-L250 HydrophobicContact CE3-CD1 3.55Å; W247-L250 HydrophobicContact CZ3-CD1 3.63Å; W247-L250 PolarHBondContact O-N 2.92Å; L250-W253 HydrophobicContact CD2-CE3 3.98Å; L250-W253 HydrophobicContact CD2-CZ3 4.06Å; L250-W253 HydrophobicContact CG-CE3 4.45Å; L250-W253 HydrophobicContact CG-CZ3 4.44Å; L250-W253 PolarHBondContact O-N 3.49Å; L250-Q254 WeakPolarHBondContact O-CB 3.15Å; L250-Q254 PolarHBondContact O-N 2.81Å |
| 251 | K | 96 | Very high | 94.1 | Very high | 126 Ų | 126 | 55.6 Ų | 55.6 | 55% | 0.548 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.1 | -162.5 | 71.4 | -179.5 | 175.3 | 0 | 111.6 | W247 V248 Y249 Q254 L255 | W247-K251 PolarHBondContact O-N 2.86Å; V248-K251 PolarHBondContact O-N 2.92Å; Y249-K251 VanDerWaalsContact C-N 3.29Å; Y249-K251 PolarHBondContact O-N 3.43Å; K251-Q254 PolarHBondContact O-N 2.98Å; K251-L255 WeakPolarHBondContact O-CG 3.32Å; K251-L255 PolarHBondContact O-N 3.35Å; K251-L255 VanDerWaalsContact O-N 3.1Å |
| 252 | Y | 95.5 | Very high | 94.2 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 42% | 0.42 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 174.9 | 169.7 | -107.4 | 0 | 0 | 0 | 111.6 | V248 Y249 Q254 L255 Q256 | V248-Y252 WeakPolarHBondContact O-CB 3.13Å; V248-Y252 PolarHBondContact O-N 3.18Å; Y249-Y252 HydrophobicContact CD1-CD1 4.46Å; Y249-Y252 CarbonylContact O-C 3.58Å; Y249-Y252 WeakPolarHBondContact O-CB 3.2Å; Y249-Y252 PolarHBondContact O-N 3.38Å; Y249-Y252 VanDerWaalsContact O-N 3.15Å; Y252-Q254 VanDerWaalsContact C-N 3.34Å; Y252-Q254 PolarHBondContact O-N 2.89Å; Y252-L255 WeakPolarHBondContact O-CB 3.28Å; Y252-L255 PolarHBondContact O-N 3.39Å; Y252-L255 VanDerWaalsContact O-N 3.15Å; Y252-Q256 WeakPolarHBondContact O-CB 3.09Å; Y252-Q256 PolarHBondContact O-N 2.89Å |
| 253 | W | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 177.9 | -60.4 | -29.7 | 0 | 0 | 0 | 112.5 | L171 L174 L178 L217 D220 L221 I224 Y249 L250 L255 Q256 I257 | L171-W253 HydrophobicContact CD1-CB 3.88Å; L171-W253 HydrophobicContact CD1-CD2 4.38Å; L171-W253 HydrophobicContact CD1-CE3 3.62Å; L171-W253 HydrophobicContact CD1-CZ3 4.49Å; L171-W253 HydrophobicContact CD2-CB 4.34Å; L174-W253 HydrophobicContact CD2-CE3 4.18Å; L174-W253 HydrophobicContact CD2-CH2 4.07Å; L174-W253 HydrophobicContact CD2-CZ3 3.58Å; L174-W253 HydrophobicContact CG-CZ3 4.35Å; L178-W253 HydrophobicContact CD1-CH2 4.34Å; L178-W253 HydrophobicContact CD1-CZ3 3.96Å; L217-W253 HydrophobicContact CD2-CB 4.35Å; L217-W253 HydrophobicContact CD2-CD2 3.74Å; L217-W253 HydrophobicContact CD2-CG 3.59Å; L217-W253 HydrophobicContact CD2-CZ2 4.35Å; D220-W253 HydrophobicContact CB-CZ2 3.51Å; D220-W253 PolarHBondContact OD2-NE1 3.26Å; L221-W253 HydrophobicContact CD2-CH2 3.8Å; L221-W253 HydrophobicContact CG-CH2 4.11Å; I224-W253 HydrophobicContact CD1-CH2 3.56Å; I224-W253 HydrophobicContact CD1-CZ2 3.94Å; I224-W253 HydrophobicContact CD1-CZ3 4.45Å; Y249-W253 HydrophobicContact CD1-CZ2 4.1Å; Y249-W253 AromaticContact CD1-NE1 3.95Å; Y249-W253 HydrophobicContact CG-CZ2 4.38Å; Y249-W253 PolarHBondContact O-N 3.48Å; L250-W253 HydrophobicContact CD2-CE3 3.98Å; L250-W253 HydrophobicContact CD2-CZ3 4.06Å; L250-W253 HydrophobicContact CG-CE3 4.45Å; L250-W253 HydrophobicContact CG-CZ3 4.44Å; L250-W253 PolarHBondContact O-N 3.49Å; W253-L255 VanDerWaalsContact C-N 3.32Å; W253-L255 PolarHBondContact O-N 2.81Å; W253-Q256 PolarHBondContact O-N 3.39Å; W253-I257 VanDerWaalsContact O-CG1 3.28Å; W253-I257 WeakPolarHBondContact O-CG1 3.33Å; W253-I257 PolarHBondContact O-N 3.23Å |
| 254 | Q | 95.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.8 | -171.7 | -179.3 | 22 | 0 | 0 | 111.7 | L171 L250 K251 Y252 T258 | L171-Q254 HydrophobicContact CD2-CB 4.08Å; L250-Q254 WeakPolarHBondContact O-CB 3.15Å; L250-Q254 PolarHBondContact O-N 2.81Å; K251-Q254 PolarHBondContact O-N 2.98Å; Y252-Q254 VanDerWaalsContact C-N 3.34Å; Y252-Q254 PolarHBondContact O-N 2.89Å; Q254-T258 PolarHBondContact O-N 3.45Å; Q254-T258 PolarHBondContact O-OG1 2.92Å |
| 255 | L | 94.9 | Very high | 94.3 | Very high | 111 Ų | 111 | 56.7 Ų | 56.7 | 58% | 0.581 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | 175.3 | -69.7 | 171.1 | 0 | 0 | 0 | 111.3 | K251 Y252 W253 I257 T258 L259 | K251-L255 WeakPolarHBondContact O-CG 3.32Å; K251-L255 PolarHBondContact O-N 3.35Å; K251-L255 VanDerWaalsContact O-N 3.1Å; Y252-L255 WeakPolarHBondContact O-CB 3.28Å; Y252-L255 PolarHBondContact O-N 3.39Å; Y252-L255 VanDerWaalsContact O-N 3.15Å; W253-L255 VanDerWaalsContact C-N 3.32Å; W253-L255 PolarHBondContact O-N 2.81Å; L255-I257 PolarHBondContact O-N 3.41Å; L255-T258 WeakPolarHBondContact O-CB 3.3Å; L255-T258 PolarHBondContact O-N 3.35Å; L255-T258 VanDerWaalsContact O-N 3.17Å; L255-L259 WeakPolarHBondContact O-CB 3.28Å; L255-L259 PolarHBondContact O-N 2.94Å |
| 256 | Q | 94.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 60 Ų | 60 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 178.3 | -167.5 | 72.4 | -17.9 | 0 | 0 | 111.6 | L215 Y252 W253 T258 L259 Q260 | L215-Q256 HydrophobicContact CD2-CB 4.42Å; L215-Q256 HydrophobicContact CD2-CG 3.79Å; Y252-Q256 WeakPolarHBondContact O-CB 3.09Å; Y252-Q256 PolarHBondContact O-N 2.89Å; W253-Q256 PolarHBondContact O-N 3.39Å; Q256-T258 VanDerWaalsContact C-N 3.33Å; Q256-T258 PolarHBondContact O-N 3.49Å; Q256-L259 PolarHBondContact O-N 3.43Å; Q256-Q260 WeakPolarHBondContact O-CB 3.42Å; Q256-Q260 VanDerWaalsContact O-CG 3.27Å; Q256-Q260 WeakPolarHBondContact O-CG 3.27Å; Q256-Q260 PolarHBondContact O-N 3.25Å |
| 257 | I | 95 | Very high | 93.9 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.7 | -70.4 | 166.9 | 0 | 0 | 0 | 111 | W163 H164 A167 V168 L171 L215 W253 L255 Q260 K261 | W163-I257 HydrophobicContact CH2-CG2 4.44Å; W163-I257 HydrophobicContact CZ3-CG2 4.23Å; H164-I257 WeakPolarHBondContact ND1-CG2 3.16Å; A167-I257 HydrophobicContact CB-CD1 3.95Å; A167-I257 HydrophobicContact CB-CG1 4.07Å; A167-I257 HydrophobicContact CB-CG2 3.76Å; V168-I257 HydrophobicContact CG2-CG2 4.39Å; L171-I257 HydrophobicContact CB-CD1 4.14Å; L171-I257 HydrophobicContact CD2-CD1 3.78Å; L171-I257 HydrophobicContact CG-CD1 4.5Å; L215-I257 HydrophobicContact CD1-CD1 4.16Å; L215-I257 HydrophobicContact CD1-CG1 3.63Å; L215-I257 HydrophobicContact CD2-CG1 4.21Å; W253-I257 VanDerWaalsContact O-CG1 3.28Å; W253-I257 WeakPolarHBondContact O-CG1 3.33Å; W253-I257 PolarHBondContact O-N 3.23Å; L255-I257 PolarHBondContact O-N 3.41Å; I257-Q260 PolarHBondContact O-N 3.3Å; I257-K261 PolarHBondContact O-N 2.87Å |
| 258 | T | 93.6 | Very high | 93.6 | Very high | 55 Ų | 55 | 64.2 Ų | 64.2 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 179.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | Q254 L255 Q256 K261 H262 | Q254-T258 PolarHBondContact O-N 3.45Å; Q254-T258 PolarHBondContact O-OG1 2.92Å; L255-T258 WeakPolarHBondContact O-CB 3.3Å; L255-T258 PolarHBondContact O-N 3.35Å; L255-T258 VanDerWaalsContact O-N 3.17Å; Q256-T258 VanDerWaalsContact C-N 3.33Å; Q256-T258 PolarHBondContact O-N 3.49Å; T258-K261 WeakPolarHBondContact O-CB 3.38Å; T258-K261 PolarHBondContact O-N 2.88Å; T258-H262 PolarHBondContact O-CD2 2.89Å; T258-H262 PolarHBondContact O-N 3.49Å |
| 259 | L | 93.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 61.3 Ų | 61.3 | 37% | 0.366 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 177 | 176.9 | 149.5 | 0 | 0 | 0 | 111.7 | L255 Q256 H262 K263 | L255-L259 WeakPolarHBondContact O-CB 3.28Å; L255-L259 PolarHBondContact O-N 2.94Å; Q256-L259 PolarHBondContact O-N 3.43Å; L259-H262 PolarHBondContact O-N 2.86Å; L259-K263 HydrophobicContact CD2-CD 3.63Å; L259-K263 VanDerWaalsContact CD2-CE 3.48Å; L259-K263 HydrophobicContact CD2-CG 4.16Å; L259-K263 PolarHBondContact O-N 3.38Å |
| 260 | Q | 93.3 | Very high | 92.7 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -38.7 | 177.6 | -73.7 | -64.6 | -12.6 | 0 | 0 | 112.3 | W163 L215 Q256 I257 H262 K263 R264 | W163-Q260 HydrophobicContact CH2-CB 3.63Å; W163-Q260 HydrophobicContact CZ3-CB 4.12Å; L215-Q260 HydrophobicContact CD2-CG 4.14Å; Q256-Q260 WeakPolarHBondContact O-CB 3.42Å; Q256-Q260 VanDerWaalsContact O-CG 3.27Å; Q256-Q260 WeakPolarHBondContact O-CG 3.27Å; Q256-Q260 PolarHBondContact O-N 3.25Å; I257-Q260 PolarHBondContact O-N 3.3Å; Q260-H262 VanDerWaalsContact C-N 3.29Å; Q260-H262 PolarHBondContact O-N 3.29Å; Q260-K263 PolarHBondContact O-N 3.48Å; Q260-R264 WeakPolarHBondContact O-CB 3.33Å; Q260-R264 WeakPolarHBondContact O-CD 3.26Å; Q260-R264 VanDerWaalsContact O-CG 3.25Å; Q260-R264 WeakPolarHBondContact O-CG 3Å; Q260-R264 PolarHBondContact O-N 3.25Å |
| 261 | K | 92.9 | Very high | 92.1 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 15% | 0.148 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.4 | -47.6 | 172 | -176.8 | -173.6 | -175.4 | 171.5 | 0 | 111 | L157 E160 T161 W163 H164 I257 T258 A265 | L157-K261 HydrophobicContact CD2-CD 4.48Å; L157-K261 HydrophobicContact CD2-CG 4.28Å; L157-K261 VanDerWaalsContact O-CE 3.27Å; L157-K261 WeakPolarHBondContact O-CE 3.28Å; E160-K261 HydrophobicContact CB-CG 3.95Å; T161-K261 PolarHBondContact OG1-NZ 2.86Å; W163-K261 HydrophobicContact CZ3-CB 4.36Å; H164-K261 HydrophobicContact CB-CD 3.9Å; H164-K261 HydrophobicContact CB-CG 4.37Å; I257-K261 PolarHBondContact O-N 2.87Å; T258-K261 WeakPolarHBondContact O-CB 3.38Å; T258-K261 PolarHBondContact O-N 2.88Å; K261-A265 WeakPolarHBondContact O-CB 3.14Å; K261-A265 PolarHBondContact O-N 3.43Å |
| 262 | H | 91.6 | Very high | 90.9 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 179.8 | -73.7 | -64.1 | 0 | 0 | 0 | 112.7 | L157 T258 L259 Q260 R264 A265 E266 | L157-H262 WeakPolarHBondContact CD2-ND1 3.18Å; T258-H262 PolarHBondContact O-CD2 2.89Å; T258-H262 PolarHBondContact O-N 3.49Å; L259-H262 PolarHBondContact O-N 2.86Å; Q260-H262 VanDerWaalsContact C-N 3.29Å; Q260-H262 PolarHBondContact O-N 3.29Å; H262-R264 VanDerWaalsContact C-N 3.33Å; H262-R264 PolarHBondContact O-N 2.95Å; H262-A265 PolarHBondContact O-N 2.82Å; H262-E266 WeakPolarHBondContact O-CB 3.42Å; H262-E266 PolarHBondContact O-N 2.88Å |
| 263 | K | 92.6 | Very high | 89.2 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.7 | -76.8 | -171.4 | 174.5 | 178.2 | 0 | 112.8 | L259 Q260 K267 | L259-K263 HydrophobicContact CD2-CD 3.63Å; L259-K263 VanDerWaalsContact CD2-CE 3.48Å; L259-K263 HydrophobicContact CD2-CG 4.16Å; L259-K263 PolarHBondContact O-N 3.38Å; Q260-K263 PolarHBondContact O-N 3.48Å; K263-K267 VanDerWaalsContact O-CG 3.31Å; K263-K267 WeakPolarHBondContact O-CG 3.24Å; K263-K267 PolarHBondContact O-N 2.78Å |
| 264 | R | 91.1 | Very high | 87.2 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 21% | 0.211 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 176.5 | -74.1 | 163.2 | 158.2 | -124.8 | 1 | 111.4 | E160 W163 E214 Q260 H262 E266 K267 A268 | E160-R264 HydrophobicContact CG-CB 3.95Å; E160-R264 IonicContact OE2-NH1 3.71Å; E160-R264 PolarHBondContact OE2-NH1 3.48Å; W163-R264 VanDerWaalsContact CE2-CZ 3.4Å; E214-R264 IonicContact OE1-NH2 3.38Å; E214-R264 PolarHBondContact OE1-NH2 3.42Å; E214-R264 IonicContact OE2-CZ 3.17Å; E214-R264 IonicContact OE2-NH2 2.61Å; E214-R264 PolarHBondContact OE2-NH2 2.8Å; Q260-R264 WeakPolarHBondContact O-CB 3.33Å; Q260-R264 WeakPolarHBondContact O-CD 3.26Å; Q260-R264 VanDerWaalsContact O-CG 3.25Å; Q260-R264 WeakPolarHBondContact O-CG 3Å; Q260-R264 PolarHBondContact O-N 3.25Å; H262-R264 VanDerWaalsContact C-N 3.33Å; H262-R264 PolarHBondContact O-N 2.95Å; R264-E266 VanDerWaalsContact C-N 3.33Å; R264-E266 PolarHBondContact O-N 2.81Å; R264-K267 PolarHBondContact O-N 3.31Å; R264-A268 WeakPolarHBondContact O-CB 3.24Å; R264-A268 PolarHBondContact O-N 2.85Å |
| 265 | A | 91.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A156 L157 K261 H262 A268 I269 | A156-A265 HydrophobicContact CB-CB 4.07Å; L157-A265 HydrophobicContact CD2-CB 3.66Å; L157-A265 HydrophobicContact CG-CB 3.95Å; K261-A265 WeakPolarHBondContact O-CB 3.14Å; K261-A265 PolarHBondContact O-N 3.43Å; H262-A265 PolarHBondContact O-N 2.82Å; A265-A268 PolarHBondContact O-N 2.87Å; A265-I269 WeakPolarHBondContact O-CD1 3.49Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.24Å; A265-I269 PolarHBondContact O-N 3.4Å; A265-I269 VanDerWaalsContact O-N 3.14Å |
| 266 | E | 90.9 | Very high | 82.8 | Confident | 114 Ų | 114 | 71.6 Ų | 71.6 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 175 | -178.8 | -178.1 | -164.5 | 0 | 0 | 111.8 | H262 R264 A268 I269 L270 | H262-E266 WeakPolarHBondContact O-CB 3.42Å; H262-E266 PolarHBondContact O-N 2.88Å; R264-E266 VanDerWaalsContact C-N 3.33Å; R264-E266 PolarHBondContact O-N 2.81Å; E266-A268 VanDerWaalsContact C-N 3.32Å; E266-A268 PolarHBondContact O-N 2.6Å; E266-I269 PolarHBondContact O-N 2.88Å; E266-I269 VanDerWaalsContact O-N 3.13Å; E266-L270 HydrophobicContact CG-CD1 4.09Å; E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.87Å |
| 267 | K | 91.4 | Very high | 80.5 | Confident | 129 Ų | 129 | 78.2 Ų | 78.2 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.4 | -45.5 | 175.5 | -74.9 | 176.5 | -179.5 | -175.3 | 0 | 111.8 | K263 R264 I269 L270 D271 | K263-K267 VanDerWaalsContact O-CG 3.31Å; K263-K267 WeakPolarHBondContact O-CG 3.24Å; K263-K267 PolarHBondContact O-N 2.78Å; R264-K267 PolarHBondContact O-N 3.31Å; K267-I269 VanDerWaalsContact C-N 3.26Å; K267-I269 PolarHBondContact O-N 2.83Å; K267-L270 PolarHBondContact O-N 3.44Å; K267-D271 WeakPolarHBondContact O-CB 3.35Å; K267-D271 PolarHBondContact O-N 2.94Å |
| 268 | A | 88.7 | Confident | 78.1 | Confident | 33 Ų | 33 | 81.3 Ų | 81.3 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.5 | -33.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R264 A265 E266 G272 | R264-A268 WeakPolarHBondContact O-CB 3.24Å; R264-A268 PolarHBondContact O-N 2.85Å; A265-A268 PolarHBondContact O-N 2.87Å; E266-A268 VanDerWaalsContact C-N 3.32Å; E266-A268 PolarHBondContact O-N 2.6Å; A268-G272 PolarHBondContact O-N 3.47Å; A268-G272 VanDerWaalsContact O-N 3.12Å |
| 269 | I | 87.6 | Confident | 75.3 | Confident | 36 Ų | 36 | 91.1 Ų | 91.1 | 19% | 0.185 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -74.5 | -42.8 | 176 | -64.6 | 161.6 | 0 | 0 | 0 | 111 | L153 A156 A265 E266 K267 G272 R273 | L153-I269 HydrophobicContact CB-CD1 3.9Å; L153-I269 HydrophobicContact CD1-CD1 3.53Å; L153-I269 HydrophobicContact CG-CD1 4.31Å; A156-I269 HydrophobicContact CB-CD1 4.09Å; A156-I269 HydrophobicContact CB-CG1 3.86Å; A265-I269 WeakPolarHBondContact O-CD1 3.49Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.24Å; A265-I269 PolarHBondContact O-N 3.4Å; A265-I269 VanDerWaalsContact O-N 3.14Å; E266-I269 PolarHBondContact O-N 2.88Å; E266-I269 VanDerWaalsContact O-N 3.13Å; K267-I269 VanDerWaalsContact C-N 3.26Å; K267-I269 PolarHBondContact O-N 2.83Å; I269-G272 PolarHBondContact O-N 3.39Å; I269-R273 PolarHBondContact O-N 2.93Å; I269-R273 VanDerWaalsContact O-N 3.08Å |
| 270 | L | 86.6 | Confident | 74.4 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 178.2 | -69.4 | 173.7 | 0 | 0 | 0 | 111 | E266 K267 G272 R273 V274 | E266-L270 HydrophobicContact CG-CD1 4.09Å; E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.87Å; K267-L270 PolarHBondContact O-N 3.44Å; L270-G272 VanDerWaalsContact C-N 3.32Å; L270-G272 PolarHBondContact O-N 3.01Å; L270-R273 PolarHBondContact O-N 3.4Å; L270-R273 VanDerWaalsContact O-N 3.16Å; L270-V274 WeakPolarHBondContact O-CG2 3.25Å; L270-V274 PolarHBondContact O-N 3.36Å |
| 271 | D | 82.9 | Confident | 73.4 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 178.9 | -64.6 | -19.9 | 0 | 0 | 0 | 111.5 | K267 R273 V274 Q275 | K267-D271 WeakPolarHBondContact O-CB 3.35Å; K267-D271 PolarHBondContact O-N 2.94Å; D271-R273 PolarHBondContact O-N 3.48Å; D271-V274 PolarHBondContact O-N 3.44Å; D271-Q275 PolarHBondContact O-N 3.39Å |
| 272 | G | 69.9 | Low | 72.3 | Confident | 44 Ų | 44 | 98.1 Ų | 98.1 | 45% | 0.454 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -32 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | A268 I269 L270 G276 | A268-G272 PolarHBondContact O-N 3.47Å; A268-G272 VanDerWaalsContact O-N 3.12Å; I269-G272 PolarHBondContact O-N 3.39Å; L270-G272 VanDerWaalsContact C-N 3.32Å; L270-G272 PolarHBondContact O-N 3.01Å; G272-G276 PolarHBondContact O-N 2.83Å |
| 273 | R | 59.3 | Low | 71.2 | Confident | 152 Ų | 152 | 99.5 Ų | 99.5 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.4 | -34.7 | 172.8 | -78 | -175.4 | -168.8 | 179 | 5.6 | 112.5 | I269 L270 D271 Q275 G276 H277 | I269-R273 PolarHBondContact O-N 2.93Å; I269-R273 VanDerWaalsContact O-N 3.08Å; L270-R273 PolarHBondContact O-N 3.4Å; L270-R273 VanDerWaalsContact O-N 3.16Å; D271-R273 PolarHBondContact O-N 3.48Å; R273-Q275 VanDerWaalsContact C-N 3.35Å; R273-G276 PolarHBondContact O-N 3.32Å; R273-H277 PolarHBondContact O-N 3Å |
| 274 | V | 53.7 | Low | 69.8 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.5 | -36.6 | 178.8 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L270 D271 | L270-V274 WeakPolarHBondContact O-CG2 3.25Å; L270-V274 PolarHBondContact O-N 3.36Å; D271-V274 PolarHBondContact O-N 3.44Å |
| 275 | Q | 47.3 | Very low | 68.4 | Low | 159 Ų | 159 | 102.6 Ų | 102.6 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.2 | -25.8 | 175.6 | -67.6 | -177.2 | 10.1 | 0 | 0 | 113.7 | D271 R273 | D271-Q275 PolarHBondContact O-N 3.39Å; R273-Q275 VanDerWaalsContact C-N 3.35Å |
| 276 | G | 50.1 | Low | 66.8 | Low | 58 Ų | 58 | 109.9 Ų | 109.9 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.3 | -16.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G272 R273 | G272-G276 PolarHBondContact O-N 2.83Å; R273-G276 PolarHBondContact O-N 3.32Å |
| 277 | H | 47 | Very low | 64.9 | Low | 183 Ų | 183 | 109.6 Ų | 109.6 | 85% | 0.847 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 1.3 | 177.4 | -92.9 | -18 | 0 | 0 | 0 | 114.2 | R273 | R273-H277 PolarHBondContact O-N 3Š|
| 278 | G | 44.4 | Very low | 62.7 | Low | 68 Ų | 68 | 108 Ų | 108 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | trans | -102.7 | 18.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 279 | K | 35.1 | Very low | 60.3 | Low | 262 Ų | 262 | 114.8 Ų | 114.8 | 100% | 1.139 | 63% | 0.629 | S | S | * | * | trans | -126.6 | 0 | 174.5 | -78 | -172.8 | 178 | 179.9 | 0 | 111.1 |
Retrieved 279 of 279 residues in 219 ms
(Link to these results)