| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 54.6 | Low | 68.3 | Low | 148 Ų | 148 | 99.2 Ų | 99.2 | 73% | 0.729 | 49% | 0.494 | S | S | * | . | 0 | -53.1 | 0 | -58.7 | -40.2 | -167.4 | 0 | 0 | 115 | L3 F4 A5 E139 | M1-L3 PolarHBondContact O-N 3.46Å; M1-F4 PolarHBondContact O-N 3.31Å; M1-A5 PolarHBondContact O-N 3.31Å; M1-E139 WeakPolarHBondContact CE-OE2 3.33Å | |||
| 2 | A | 68 | Low | 67.8 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 65% | 0.653 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.2 | -38.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R6 | A2-R6 WeakPolarHBondContact O-CB 3.47Å; A2-R6 PolarHBondContact O-N 2.95Å |
| 3 | L | 69.9 | Low | 66.3 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 71% | 0.712 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.9 | -45.5 | 178.3 | -72.6 | 173.7 | 0 | 0 | 0 | 112.6 | M1 A5 R6 L7 | M1-L3 PolarHBondContact O-N 3.46Å; L3-A5 PolarHBondContact O-N 2.89Å; L3-R6 PolarHBondContact O-N 3.35Å; L3-R6 VanDerWaalsContact O-N 3.14Å; L3-L7 PolarHBondContact O-N 2.92Å |
| 4 | F | 65.6 | Low | 64.5 | Low | 37 Ų | 37 | 113.1 Ų | 113.1 | 16% | 0.162 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.2 | -176.3 | -106 | 0 | 0 | 0 | 111.3 | M1 R6 L7 C8 K142 E143 | M1-F4 PolarHBondContact O-N 3.31Å; F4-R6 VanDerWaalsContact C-N 3.32Å; F4-R6 PolarHBondContact O-N 3.47Å; F4-L7 PolarHBondContact O-N 3.34Å; F4-C8 VanDerWaalsContact CE1-SG 3.58Å; F4-C8 VanDerWaalsContact CZ-SG 3.5Å; F4-C8 WeakPolarHBondContact O-CB 3.32Å; F4-C8 PolarHBondContact O-N 3.39Å; F4-C8 PolarHBondContact O-SG 2.96Å; F4-C8 VanDerWaalsContact O-SG 3.34Å; F4-K142 HydrophobicContact CZ-CB 4.22Å; F4-E143 HydrophobicContact CD2-CB 4.01Å; F4-E143 HydrophobicContact CD2-CG 3.98Å; F4-E143 HydrophobicContact CE2-CB 3.74Å; F4-E143 HydrophobicContact CE2-CG 4.11Å; F4-E143 HydrophobicContact CZ-CB 4.35Å |
| 5 | A | 71.3 | Confident | 63.1 | Low | 38 Ų | 38 | 116.1 Ų | 116.1 | 31% | 0.314 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.1 | -38 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 L3 R9 | M1-A5 PolarHBondContact O-N 3.31Å; L3-A5 PolarHBondContact O-N 2.89Å; A5-R9 WeakPolarHBondContact O-CB 3.16Å; A5-R9 VanDerWaalsContact O-CG 3.27Å; A5-R9 WeakPolarHBondContact O-CG 3.47Å; A5-R9 PolarHBondContact O-N 2.97Å; A5-R9 PolarHBondContact O-NE 2.93Å |
| 6 | R | 74.8 | Confident | 62.1 | Low | 170 Ų | 170 | 117.3 Ų | 117.3 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -40.3 | 176.6 | -165 | 175.9 | -177.9 | -172.6 | -0.1 | 111.8 | A2 L3 F4 L10 | A2-R6 WeakPolarHBondContact O-CB 3.47Å; A2-R6 PolarHBondContact O-N 2.95Å; L3-R6 PolarHBondContact O-N 3.35Å; L3-R6 VanDerWaalsContact O-N 3.14Å; F4-R6 VanDerWaalsContact C-N 3.32Å; F4-R6 PolarHBondContact O-N 3.47Å; R6-L10 WeakPolarHBondContact O-CG 3.31Å; R6-L10 PolarHBondContact O-N 3.47Å |
| 7 | L | 72.7 | Confident | 60.6 | Low | 57 Ų | 57 | 119.7 Ų | 119.7 | 30% | 0.298 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.1 | -47.9 | 174.3 | -73.3 | 166 | 0 | 0 | 0 | 111.5 | L3 F4 R9 L10 F11 F146 | L3-L7 PolarHBondContact O-N 2.92Å; F4-L7 PolarHBondContact O-N 3.34Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3.23Å; L7-L10 VanDerWaalsContact O-N 3.11Å; L7-F11 VanDerWaalsContact O-CD2 3.26Å; L7-F11 WeakPolarHBondContact O-CD2 3.44Å; L7-F11 PolarHBondContact O-N 3.16Å; L7-F146 HydrophobicContact CB-CZ 4.35Å; L7-F146 HydrophobicContact CD1-CE1 4.17Å |
| 8 | C | 68.7 | Low | 59.5 | Low | 19 Ų | 19 | 117.7 Ų | 117.7 | 13% | 0.128 | 61% | 0.614 | C | S | . | * | H | α-helix | trans | -59.4 | -39.5 | 176.2 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | F4 L10 F11 Q12 | F4-C8 VanDerWaalsContact CE1-SG 3.58Å; F4-C8 VanDerWaalsContact CZ-SG 3.5Å; F4-C8 WeakPolarHBondContact O-CB 3.32Å; F4-C8 PolarHBondContact O-N 3.39Å; F4-C8 PolarHBondContact O-SG 2.96Å; F4-C8 VanDerWaalsContact O-SG 3.34Å; C8-L10 VanDerWaalsContact C-N 3.32Å; C8-L10 PolarHBondContact O-N 3.13Å; C8-F11 CarbonylContact O-C 3.56Å; C8-F11 PolarHBondContact O-N 2.74Å; C8-F11 VanDerWaalsContact O-N 3.1Å; C8-Q12 VanDerWaalsContact O-CB 3.31Å; C8-Q12 WeakPolarHBondContact O-CB 3.26Å; C8-Q12 PolarHBondContact O-N 3.44Å |
| 9 | R | 70.4 | Confident | 58.5 | Low | 157 Ų | 157 | 122.8 Ų | 122.8 | 59% | 0.592 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -34.8 | 175.1 | -80.8 | -175.2 | -67.3 | -119.6 | 0.5 | 113.8 | A5 L7 F11 | A5-R9 WeakPolarHBondContact O-CB 3.16Å; A5-R9 VanDerWaalsContact O-CG 3.27Å; A5-R9 WeakPolarHBondContact O-CG 3.47Å; A5-R9 PolarHBondContact O-N 2.97Å; A5-R9 PolarHBondContact O-NE 2.93Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.17Å; R9-F11 PolarHBondContact O-N 2.85Å |
| 10 | L | 72.5 | Confident | 57.7 | Low | 128 Ų | 128 | 124.6 Ų | 124.6 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.1 | -24.5 | 176.2 | -73.5 | 163.9 | 0 | 0 | 0 | 112.1 | R6 L7 C8 | R6-L10 WeakPolarHBondContact O-CG 3.31Å; R6-L10 PolarHBondContact O-N 3.47Å; L7-L10 PolarHBondContact O-N 3.23Å; L7-L10 VanDerWaalsContact O-N 3.11Å; C8-L10 VanDerWaalsContact C-N 3.32Å; C8-L10 PolarHBondContact O-N 3.13Å |
| 11 | F | 62.7 | Low | 56.8 | Low | 122 Ų | 122 | 125.7 Ų | 125.7 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -116.2 | -12.5 | -172 | -68.8 | -70.8 | 0 | 0 | 0 | 116.1 | L7 C8 R9 F146 | L7-F11 VanDerWaalsContact O-CD2 3.26Å; L7-F11 WeakPolarHBondContact O-CD2 3.44Å; L7-F11 PolarHBondContact O-N 3.16Å; C8-F11 CarbonylContact O-C 3.56Å; C8-F11 PolarHBondContact O-N 2.74Å; C8-F11 VanDerWaalsContact O-N 3.1Å; R9-F11 PolarHBondContact O-N 2.85Å; F11-F146 HydrophobicContact CD2-CE2 4.33Å |
| 12 | Q | 62.7 | Low | 56.2 | Low | 140 Ų | 140 | 128 Ų | 128 | 65% | 0.654 | 64% | 0.644 | S | S | * | * | trans | -114.2 | 12.2 | -172.5 | -68.8 | -176.9 | 23.2 | 0 | 0 | 116.4 | C8 V14 | C8-Q12 VanDerWaalsContact O-CB 3.31Å; C8-Q12 WeakPolarHBondContact O-CB 3.26Å; C8-Q12 PolarHBondContact O-N 3.44Å; Q12-V14 PolarHBondContact O-N 2.93Å | ||
| 13 | R | 47.7 | Very low | 54.9 | Low | 235 Ų | 235 | 131.5 Ų | 131.5 | 89% | 0.887 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 14.7 | 179.6 | -89.5 | -174.5 | 167.1 | -170.5 | -3.4 | 116.6 | ||
| 14 | V | 41.6 | Very low | 53.4 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -11.1 | -167.8 | 172.8 | 0 | 0 | 0 | 0 | 115.6 | Q12 | Q12-V14 PolarHBondContact O-N 2.93Š|
| 15 | N | 43.1 | Very low | 52.2 | Low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | trans | -140.2 | 138.2 | 178.7 | -78 | -51.3 | 0 | 0 | 0 | 115.9 | ||||
| 16 | V | 46.7 | Very low | 51 | Low | 136 Ų | 136 | 146 Ų | 146 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -99.4 | 153.9 | -158.8 | 164.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 17 | D | 37.7 | Very low | 49.3 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -20.3 | 145.9 | 169.1 | -73.8 | -40.8 | 0 | 0 | 0 | 121 | ||||
| 18 | G | 40.7 | Very low | 47.9 | Very low | 83 Ų | 83 | 147.2 Ų | 147.2 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | -161.6 | 107.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 19 | R | 41.1 | Very low | 46.6 | Very low | 216 Ų | 216 | 154 Ų | 154 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -88.7 | 152.5 | -163.5 | -165.1 | -165.5 | -69.4 | -112.3 | 1.4 | 113.8 | ||||
| 20 | E | 42.3 | Very low | 45.3 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 11.6 | 150.8 | 152.3 | -61.3 | 167.4 | 134.9 | 0 | 0 | 120.4 | ||||
| 21 | T | 39 | Very low | 43.8 | Very low | 147 Ų | 147 | 155 Ų | 155 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | -176.7 | 154.9 | 84.5 | -46.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 22 | R | 41.3 | Very low | 42.9 | Very low | 198 Ų | 198 | 154.7 Ų | 154.7 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | trans | -111.1 | 152 | -170.4 | -157.8 | -162.3 | 164.4 | 177.9 | -13 | 113.4 | ||||
| 23 | E | 39.8 | Very low | 42.1 | Very low | 152 Ų | 152 | 157.3 Ų | 157.3 | 71% | 0.71 | 83% | 0.83 | S | S | * | * | trans | 68.1 | 137.8 | 144.4 | -121.8 | 155.3 | -147.4 | 0 | 0 | 124.9 | ||||
| 24 | G | 38.5 | Very low | 42.2 | Very low | 76 Ų | 76 | 157.4 Ų | 157.4 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | -148.3 | 132.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 25 | R | 40.7 | Very low | 43 | Very low | 230 Ų | 230 | 157.9 Ų | 157.9 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -85.8 | 159.3 | 173.8 | -82.1 | -175.7 | 178.4 | -129.2 | 2.1 | 112.2 | ||||
| 26 | K | 47.4 | Very low | 43.7 | Very low | 209 Ų | 209 | 157.9 Ų | 157.9 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -141.2 | 130.7 | 158.7 | -78.6 | -175 | 176.9 | 177.5 | 0 | 111.2 | ||||
| 27 | D | 38 | Very low | 44.4 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -98.1 | 152.4 | 164.6 | -65.9 | -49.9 | 0 | 0 | 0 | 109.6 | ||||
| 28 | A | 42.6 | Very low | 45.5 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -158.7 | 134.3 | 161 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 29 | D | 42.4 | Very low | 46.4 | Very low | 162 Ų | 162 | 162.7 Ų | 162.7 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 167.9 | -176.5 | -59.8 | -66.3 | 0 | 0 | 0 | 116.2 | ||||
| 30 | L | 41.9 | Very low | 47.8 | Very low | 173 Ų | 173 | 160 Ų | 160 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -126.9 | 144.7 | 165 | -75.6 | 171.4 | 0 | 0 | 0 | 110.4 | ||||
| 31 | P | 42.6 | Very low | 48.5 | Very low | 134 Ų | 134 | 161.9 Ų | 161.9 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -116.8 | 157.8 | 163.5 | 35.7 | -23.3 | 0 | 0 | 0 | 114.4 | ||||
| 32 | S | 42.2 | Very low | 49.9 | Very low | 115 Ų | 115 | 159 Ų | 159 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -125.1 | 120.1 | -173.4 | 178 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 33 | E | 47 | Very low | 50.8 | Low | 194 Ų | 194 | 158.4 Ų | 158.4 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | -163.4 | 111 | 166.8 | -121.7 | 174.2 | -170.2 | 0 | 0 | 111.1 | ||||
| 34 | R | 49.9 | Very low | 52.1 | Low | 238 Ų | 238 | 159.6 Ų | 159.6 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -158 | 17.7 | 171 | -140.1 | -172.3 | -161.5 | -148.1 | 2.9 | 118.2 | ||||
| 35 | N | 58 | Low | 53.8 | Low | 128 Ų | 128 | 161.2 Ų | 161.2 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | trans | -106.9 | -6 | -163.2 | -63 | -20.7 | 0 | 0 | 0 | 117 | ||||
| 36 | E | 57.4 | Low | 54.9 | Low | 157 Ų | 157 | 155 Ų | 155 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -78.3 | -33.4 | -171.5 | -65.6 | -165.7 | 156.5 | 0 | 0 | 114.8 | R38 | E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 2.91Å |
| 37 | G | 61.6 | Low | 56 | Low | 57 Ų | 57 | 150.8 Ų | 150.8 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -64.2 | -31.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 38 | R | 60.7 | Low | 57.4 | Low | 220 Ų | 220 | 147.3 Ų | 147.3 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -75.2 | -32.3 | -171.9 | -139.9 | -179.6 | -141.4 | -99.2 | 2.6 | 113.3 | E36 | E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 2.91Å |
| 39 | R | 59.7 | Low | 58.2 | Low | 201 Ų | 201 | 149.7 Ų | 149.7 | 76% | 0.758 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -72.1 | -29.3 | -177.6 | -66.3 | -172 | -170.5 | 176.5 | 3.8 | 113.1 | W41 T42 | R39-W41 VanDerWaalsContact C-N 3.31Å; R39-W41 PolarHBondContact O-N 3.32Å; R39-T42 PolarHBondContact O-OG1 2.91Å |
| 40 | R | 70.1 | Confident | 58.9 | Low | 159 Ų | 159 | 144.8 Ų | 144.8 | 60% | 0.6 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -69.4 | -26.9 | 179.9 | -109.2 | -174.3 | -67.3 | -100.3 | -1.1 | 113.5 | ||
| 41 | W | 58.6 | Low | 59.3 | Low | 197 Ų | 197 | 144.9 Ų | 144.9 | 75% | 0.746 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -79.1 | -40 | -176.4 | -117.1 | 63.4 | 0 | 0 | 0 | 112.7 | R39 W43 R44 M45 | R39-W41 VanDerWaalsContact C-N 3.31Å; R39-W41 PolarHBondContact O-N 3.32Å; W41-W43 PolarHBondContact O-N 3.48Å; W41-R44 PolarHBondContact O-N 3.47Å; W41-M45 PolarHBondContact O-N 3.43Å |
| 42 | T | 67.4 | Low | 59.3 | Low | 86 Ų | 86 | 144.6 Ų | 144.6 | 53% | 0.528 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -67.1 | -36.5 | -178.5 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | R39 M45 C46 | R39-T42 PolarHBondContact O-OG1 2.91Å; T42-M45 PolarHBondContact O-N 3.37Å; T42-C46 PolarHBondContact O-N 2.9Å |
| 43 | W | 60.4 | Low | 59.3 | Low | 186 Ų | 186 | 145.3 Ų | 145.3 | 71% | 0.705 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 179.7 | -152 | 77.6 | 0 | 0 | 0 | 112.3 | W41 M45 M47 | W41-W43 PolarHBondContact O-N 3.48Å; W43-M45 PolarHBondContact O-N 3.35Å; W43-M47 HydrophobicContact CE3-CG 4.43Å; W43-M47 HydrophobicContact CZ3-CG 4.47Å; W43-M47 WeakPolarHBondContact O-CG 3.48Å; W43-M47 PolarHBondContact O-N 2.89Å |
| 44 | R | 67.6 | Low | 59.4 | Low | 177 Ų | 177 | 140.6 Ų | 140.6 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -64.2 | -38.2 | 176.4 | -92.4 | -166.7 | -93.7 | -166.6 | -6.7 | 112.8 | W41 M47 A48 | W41-R44 PolarHBondContact O-N 3.47Å; R44-M47 PolarHBondContact O-N 3.1Å; R44-A48 PolarHBondContact O-N 3.03Å |
| 45 | M | 73.9 | Confident | 59.4 | Low | 111 Ų | 111 | 135.1 Ų | 135.1 | 55% | 0.547 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -70.6 | -37.8 | -177.9 | -155.6 | 162.3 | 74.4 | 0 | 0 | 112.5 | W41 T42 W43 M47 A48 | W41-M45 PolarHBondContact O-N 3.43Å; T42-M45 PolarHBondContact O-N 3.37Å; W43-M45 PolarHBondContact O-N 3.35Å; M45-M47 PolarHBondContact O-N 2.79Å; M45-A48 PolarHBondContact O-N 3.15Å |
| 46 | C | 63.5 | Low | 59.2 | Low | 99 Ų | 99 | 134.6 Ų | 134.6 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64.2 | -37.5 | 174.5 | -80.7 | 0 | 0 | 0 | 0 | 112.9 | T42 A48 | T42-C46 PolarHBondContact O-N 2.9Å; C46-A48 VanDerWaalsContact C-N 3.33Å; C46-A48 PolarHBondContact O-N 3Å |
| 47 | M | 71.2 | Confident | 59.2 | Low | 121 Ų | 121 | 131.7 Ų | 131.7 | 60% | 0.596 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.7 | -28.2 | 179.4 | -62.3 | -61.4 | -82.7 | 0 | 0 | 112.5 | W43 R44 M45 | W43-M47 HydrophobicContact CE3-CG 4.43Å; W43-M47 HydrophobicContact CZ3-CG 4.47Å; W43-M47 WeakPolarHBondContact O-CG 3.48Å; W43-M47 PolarHBondContact O-N 2.89Å; R44-M47 PolarHBondContact O-N 3.1Å; M45-M47 PolarHBondContact O-N 2.79Å |
| 48 | A | 66.1 | Low | 58.9 | Low | 77 Ų | 77 | 136.2 Ų | 136.2 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73 | -28.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R44 M45 C46 | R44-A48 PolarHBondContact O-N 3.03Å; M45-A48 PolarHBondContact O-N 3.15Å; C46-A48 VanDerWaalsContact C-N 3.33Å; C46-A48 PolarHBondContact O-N 3Å |
| 49 | H | 59.8 | Low | 58.7 | Low | 152 Ų | 152 | 129.9 Ų | 129.9 | 70% | 0.704 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -85.4 | -4 | 178.8 | -82.6 | -54.4 | 0 | 0 | 0 | 114.7 | Q51 | H49-Q51 VanDerWaalsContact C-N 3.35Å; H49-Q51 PolarHBondContact O-N 3.46Å |
| 50 | G | 56.9 | Low | 59 | Low | 59 Ų | 59 | 123.6 Ų | 123.6 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -80.3 | -2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 51 | Q | 51.7 | Low | 59.5 | Low | 175 Ų | 175 | 124 Ų | 124 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -104.8 | 13.9 | -169.7 | -66.6 | -152.5 | 33.4 | 0 | 0 | 116.2 | H49 | H49-Q51 VanDerWaalsContact C-N 3.35Å; H49-Q51 PolarHBondContact O-N 3.46Å |
| 52 | T | 41 | Very low | 60.5 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | trans | -118.8 | 74.2 | 175.9 | 42.1 | 0 | 0 | 0 | 0 | 111.2 | S54 | T52-S54 PolarHBondContact O-N 2.9Š| ||
| 53 | T | 42.6 | Very low | 61.2 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | trans | -82.9 | 99.5 | 169 | 39.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | S | 49.5 | Very low | 62.3 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | -56.4 | 147 | 159.2 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | T52 V56 | T52-S54 PolarHBondContact O-N 2.9Å; S54-V56 PolarHBondContact O-N 3.36Å | ||
| 55 | P | 50.5 | Low | 63.1 | Low | 122 Ų | 122 | 116.1 Ų | 116.1 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | trans | -62.9 | 111.9 | -175.6 | 26.3 | -34.2 | 0 | 0 | 0 | 110.7 | ||||
| 56 | V | 53 | Low | 63.9 | Low | 118 Ų | 118 | 117.4 Ų | 117.4 | 72% | 0.715 | 65% | 0.651 | S | S | * | * | trans | -67.7 | 128.3 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 109 | S54 V58 | S54-V56 PolarHBondContact O-N 3.36Å; V56-V58 PolarHBondContact O-N 3.33Å | ||
| 57 | P | 57.6 | Low | 65.1 | Low | 96 Ų | 96 | 116.2 Ų | 116.2 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | trans | -59.1 | 132.5 | 171.4 | -16.9 | 28.6 | 0 | 0 | 0 | 109.1 | K59 | P57-K59 PolarHBondContact O-N 2.88Š| ||
| 58 | V | 54.1 | Low | 66.1 | Low | 151 Ų | 151 | 115.1 Ų | 115.1 | 92% | 0.915 | 63% | 0.629 | S | S | * | * | trans | -65 | 83.5 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | V56 | V56-V58 PolarHBondContact O-N 3.33Š| ||
| 59 | K | 57.6 | Low | 67.4 | Low | 88 Ų | 88 | 118 Ų | 118 | 38% | 0.383 | 63% | 0.627 | S | S | . | * | trans | -71.8 | 136.4 | 168.7 | -64 | -171.3 | -174.2 | -174.3 | 0 | 107.6 | P57 Q63 E67 | P57-K59 PolarHBondContact O-N 2.88Å; K59-Q63 HydrophobicContact CB-CB 4.18Å; K59-E67 WeakPolarHBondContact CD-OE1 3.41Å; K59-E67 WeakPolarHBondContact CD-OE2 3.26Å; K59-E67 IonicContact NZ-OE1 3.66Å; K59-E67 PolarHBondContact NZ-OE1 3.39Å; K59-E67 IonicContact NZ-OE2 2.67Å; K59-E67 PolarHBondContact NZ-OE2 2.82Å | ||
| 60 | S | 66.6 | Low | 69 | Low | 68 Ų | 68 | 116.6 Ų | 116.6 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | trans | -56.3 | 144 | 173.5 | 67.4 | 0 | 0 | 0 | 0 | 109.8 | K62 Q63 F64 | S60-K62 PolarHBondContact O-N 2.85Å; S60-Q63 WeakPolarHBondContact O-CA 3.48Å; S60-Q63 WeakPolarHBondContact O-CB 3.37Å; S60-Q63 PolarHBondContact O-N 2.88Å; S60-Q63 PolarHBondContact OG-N 2.89Å; S60-F64 PolarHBondContact O-N 3.49Å; S60-F64 VanDerWaalsContact O-N 3.12Å | ||
| 61 | K | 79.2 | Confident | 70.8 | Confident | 167 Ų | 167 | 119 Ų | 119 | 73% | 0.726 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -48.1 | -36.8 | 178.7 | -174.7 | 176.4 | 177.1 | 179.3 | 0 | 112.7 | F64 E65 | K61-F64 PolarHBondContact O-N 3.48Å; K61-E65 WeakPolarHBondContact CE-OE1 3.5Å; K61-E65 WeakPolarHBondContact O-CG 3.5Å; K61-E65 PolarHBondContact O-N 2.9Å |
| 62 | K | 80.8 | Confident | 72.9 | Confident | 173 Ų | 173 | 114.3 Ų | 114.3 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.6 | -36.2 | 175.7 | -66.9 | -174.7 | 179 | -179.2 | 0 | 113.8 | S60 K66 | S60-K62 PolarHBondContact O-N 2.85Å; K62-K66 PolarHBondContact O-N 3.4Å |
| 63 | Q | 81.2 | Confident | 75.5 | Confident | 100 Ų | 100 | 115.1 Ų | 115.1 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.3 | -42.7 | 173.5 | -102.8 | -170.5 | -28.5 | 0 | 0 | 111.1 | K59 S60 K66 E67 | K59-Q63 HydrophobicContact CB-CB 4.18Å; S60-Q63 WeakPolarHBondContact O-CA 3.48Å; S60-Q63 WeakPolarHBondContact O-CB 3.37Å; S60-Q63 PolarHBondContact O-N 2.88Å; S60-Q63 PolarHBondContact OG-N 2.89Å; Q63-K66 PolarHBondContact O-N 2.9Å; Q63-E67 WeakPolarHBondContact O-CG 3.29Å; Q63-E67 PolarHBondContact O-N 3.01Å |
| 64 | F | 83 | Confident | 78 | Confident | 127 Ų | 127 | 115.6 Ų | 115.6 | 56% | 0.557 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.8 | -47.5 | 177.7 | -168.3 | -89.9 | 0 | 0 | 0 | 111.4 | S60 K61 K66 E67 E68 | S60-F64 PolarHBondContact O-N 3.49Å; S60-F64 VanDerWaalsContact O-N 3.12Å; K61-F64 PolarHBondContact O-N 3.48Å; F64-K66 PolarHBondContact O-N 3.29Å; F64-E67 PolarHBondContact O-N 3.49Å; F64-E68 VanDerWaalsContact O-CB 3.27Å; F64-E68 WeakPolarHBondContact O-CB 3.41Å; F64-E68 PolarHBondContact O-N 3.21Å |
| 65 | E | 85.6 | Confident | 80.2 | Confident | 82 Ų | 82 | 115.6 Ų | 115.6 | 38% | 0.383 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.3 | -31.3 | 176.4 | -72.6 | 173 | -167.2 | 0 | 0 | 113 | K61 K69 | K61-E65 WeakPolarHBondContact CE-OE1 3.5Å; K61-E65 WeakPolarHBondContact O-CG 3.5Å; K61-E65 PolarHBondContact O-N 2.9Å; E65-K69 WeakPolarHBondContact O-CD 3.49Å; E65-K69 VanDerWaalsContact O-CG 3.27Å; E65-K69 WeakPolarHBondContact O-CG 3.33Å; E65-K69 PolarHBondContact O-N 3.41Å |
| 66 | K | 90.8 | Very high | 82.3 | Confident | 138 Ų | 138 | 115.1 Ų | 115.1 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.1 | -47 | 175.7 | -172.2 | -177 | 177.7 | -172.9 | 0 | 111.4 | K62 Q63 F64 E68 K69 E70 | K62-K66 PolarHBondContact O-N 3.4Å; Q63-K66 PolarHBondContact O-N 2.9Å; F64-K66 PolarHBondContact O-N 3.29Å; K66-E68 VanDerWaalsContact C-N 3.33Å; K66-K69 PolarHBondContact O-N 3.05Å; K66-E70 PolarHBondContact O-N 3.44Å |
| 67 | E | 89.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 114 Ų | 114 | 34% | 0.341 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -41 | 177.1 | -72.3 | 178.2 | -174.5 | 0 | 0 | 111.2 | K59 Q63 F64 K69 E70 L71 | K59-E67 WeakPolarHBondContact CD-OE1 3.41Å; K59-E67 WeakPolarHBondContact CD-OE2 3.26Å; K59-E67 IonicContact NZ-OE1 3.66Å; K59-E67 PolarHBondContact NZ-OE1 3.39Å; K59-E67 IonicContact NZ-OE2 2.67Å; K59-E67 PolarHBondContact NZ-OE2 2.82Å; Q63-E67 WeakPolarHBondContact O-CG 3.29Å; Q63-E67 PolarHBondContact O-N 3.01Å; F64-E67 PolarHBondContact O-N 3.49Å; E67-K69 PolarHBondContact O-N 3.36Å; E67-E70 PolarHBondContact O-N 2.91Å; E67-L71 WeakPolarHBondContact O-CB 3.3Å; E67-L71 PolarHBondContact O-N 2.97Å |
| 68 | E | 90.3 | Very high | 86 | Confident | 99 Ų | 99 | 112.2 Ų | 112.2 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 175.3 | -176.3 | 178.8 | -168.9 | 0 | 0 | 111.4 | F64 K66 E70 L71 I72 | F64-E68 VanDerWaalsContact O-CB 3.27Å; F64-E68 WeakPolarHBondContact O-CB 3.41Å; F64-E68 PolarHBondContact O-N 3.21Å; K66-E68 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 2.94Å; E68-L71 PolarHBondContact O-N 3.44Å; E68-I72 HydrophobicContact CG-CD1 3.95Å; E68-I72 WeakPolarHBondContact O-CB 3.37Å; E68-I72 VanDerWaalsContact O-CG1 3.24Å; E68-I72 WeakPolarHBondContact O-CG1 3.4Å; E68-I72 PolarHBondContact O-N 3.47Å |
| 69 | K | 93.6 | Very high | 87.8 | Confident | 136 Ų | 136 | 108.3 Ų | 108.3 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -39.5 | 176.3 | -74.7 | 171.5 | -175.8 | 173.2 | 0 | 112.8 | E65 K66 E67 K73 | E65-K69 WeakPolarHBondContact O-CD 3.49Å; E65-K69 VanDerWaalsContact O-CG 3.27Å; E65-K69 WeakPolarHBondContact O-CG 3.33Å; E65-K69 PolarHBondContact O-N 3.41Å; K66-K69 PolarHBondContact O-N 3.05Å; E67-K69 PolarHBondContact O-N 3.36Å; K69-K73 WeakPolarHBondContact O-CG 3.46Å; K69-K73 PolarHBondContact O-N 3.02Å; K69-K73 VanDerWaalsContact O-N 3.16Å |
| 70 | E | 95 | Very high | 89.4 | Confident | 123 Ų | 123 | 110 Ų | 110 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -40.4 | 174.4 | -77.2 | -167.6 | 179.7 | 0 | 0 | 112 | K66 E67 E68 K73 K74 | K66-E70 PolarHBondContact O-N 3.44Å; E67-E70 PolarHBondContact O-N 2.91Å; E68-E70 PolarHBondContact O-N 2.94Å; E70-K73 PolarHBondContact O-N 3.42Å; E70-K74 PolarHBondContact O-N 2.92Å |
| 71 | L | 94.9 | Very high | 90.6 | Very high | 109 Ų | 109 | 111.7 Ų | 111.7 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 178 | -139.1 | 75.9 | 0 | 0 | 0 | 111.5 | E67 E68 K73 K74 I75 | E67-L71 WeakPolarHBondContact O-CB 3.3Å; E67-L71 PolarHBondContact O-N 2.97Å; E68-L71 PolarHBondContact O-N 3.44Å; L71-K73 VanDerWaalsContact C-N 3.35Å; L71-K73 PolarHBondContact O-N 2.96Å; L71-K74 PolarHBondContact O-N 2.92Å; L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.45Å; L71-I75 PolarHBondContact O-N 2.74Å |
| 72 | I | 95 | Very high | 91.3 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 40% | 0.395 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.3 | -71.2 | 165.6 | 0 | 0 | 0 | 110.4 | E68 K74 I75 Q76 | E68-I72 HydrophobicContact CG-CD1 3.95Å; E68-I72 WeakPolarHBondContact O-CB 3.37Å; E68-I72 VanDerWaalsContact O-CG1 3.24Å; E68-I72 WeakPolarHBondContact O-CG1 3.4Å; E68-I72 PolarHBondContact O-N 3.47Å; I72-K74 VanDerWaalsContact C-N 3.32Å; I72-K74 PolarHBondContact O-N 3.36Å; I72-I75 PolarHBondContact O-N 3.01Å; I72-Q76 WeakPolarHBondContact O-CG 3.43Å; I72-Q76 PolarHBondContact O-N 2.95Å |
| 73 | K | 95.6 | Very high | 91.7 | Very high | 145 Ų | 145 | 102.1 Ų | 102.1 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -42.5 | 176.2 | -74.1 | 177.3 | -179.4 | -176.4 | 0 | 111.9 | K69 E70 L71 Q76 L77 | K69-K73 WeakPolarHBondContact O-CG 3.46Å; K69-K73 PolarHBondContact O-N 3.02Å; K69-K73 VanDerWaalsContact O-N 3.16Å; E70-K73 PolarHBondContact O-N 3.42Å; L71-K73 VanDerWaalsContact C-N 3.35Å; L71-K73 PolarHBondContact O-N 2.96Å; K73-Q76 PolarHBondContact O-N 2.82Å; K73-L77 PolarHBondContact O-N 2.85Å |
| 74 | K | 95.1 | Very high | 92 | Very high | 141 Ų | 141 | 102.9 Ų | 102.9 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -39 | 178.4 | -167.7 | 175.2 | -176.5 | 177.9 | 0 | 112.3 | E70 L71 I72 T78 | E70-K74 PolarHBondContact O-N 2.92Å; L71-K74 PolarHBondContact O-N 2.92Å; I72-K74 VanDerWaalsContact C-N 3.32Å; I72-K74 PolarHBondContact O-N 3.36Å; K74-T78 WeakPolarHBondContact O-CB 3.36Å; K74-T78 WeakPolarHBondContact O-CG2 3.3Å; K74-T78 PolarHBondContact O-N 2.91Å; K74-T78 PolarHBondContact O-OG1 3.16Å |
| 75 | I | 96.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 102.3 Ų | 102.3 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.3 | -70.4 | 166.2 | 0 | 0 | 0 | 110.5 | L71 I72 T78 T79 | L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.45Å; L71-I75 PolarHBondContact O-N 2.74Å; I72-I75 PolarHBondContact O-N 3.01Å; I75-T78 WeakPolarHBondContact CA-OG1 3.33Å; I75-T78 PolarHBondContact O-OG1 3.26Å; I75-T78 VanDerWaalsContact O-OG1 3.1Å; I75-T79 VanDerWaalsContact O-CB 3.3Å; I75-T79 WeakPolarHBondContact O-CB 3.32Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3.4Å |
| 76 | Q | 94.7 | Very high | 92.5 | Very high | 112 Ų | 112 | 105.8 Ų | 105.8 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 176.3 | -73.5 | 173.3 | -16.2 | 0 | 0 | 111.3 | I72 K73 T78 T79 E80 | I72-Q76 WeakPolarHBondContact O-CG 3.43Å; I72-Q76 PolarHBondContact O-N 2.95Å; K73-Q76 PolarHBondContact O-N 2.82Å; Q76-T78 PolarHBondContact O-N 3.47Å; Q76-T79 WeakPolarHBondContact O-CB 3.34Å; Q76-T79 PolarHBondContact O-N 3.48Å; Q76-T79 VanDerWaalsContact O-N 3.16Å; Q76-E80 WeakPolarHBondContact O-CG 3.47Å; Q76-E80 PolarHBondContact O-N 3.36Å |
| 77 | L | 94.1 | Very high | 92 | Very high | 95 Ų | 95 | 104.4 Ų | 104.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -49.4 | 178.4 | -174.9 | 71.8 | 0 | 0 | 0 | 112.4 | K73 T79 E80 E81 | K73-L77 PolarHBondContact O-N 2.85Å; L77-T79 VanDerWaalsContact C-N 3.26Å; L77-T79 PolarHBondContact O-N 3.37Å; L77-E80 PolarHBondContact O-N 3.49Å; L77-E81 WeakPolarHBondContact O-CG 3.38Å; L77-E81 PolarHBondContact O-N 3.21Å |
| 78 | T | 93.1 | Very high | 91.7 | Very high | 58 Ų | 58 | 108.3 Ų | 108.3 | 36% | 0.356 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -28.8 | 179.4 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | K74 I75 Q76 T82 | K74-T78 WeakPolarHBondContact O-CB 3.36Å; K74-T78 WeakPolarHBondContact O-CG2 3.3Å; K74-T78 PolarHBondContact O-N 2.91Å; K74-T78 PolarHBondContact O-OG1 3.16Å; I75-T78 WeakPolarHBondContact CA-OG1 3.33Å; I75-T78 PolarHBondContact O-OG1 3.26Å; I75-T78 VanDerWaalsContact O-OG1 3.1Å; Q76-T78 PolarHBondContact O-N 3.47Å; T78-T82 WeakPolarHBondContact O-CB 3.35Å; T78-T82 PolarHBondContact O-N 3.18Å; T78-T82 PolarHBondContact O-OG1 2.97Å |
| 79 | T | 92.6 | Very high | 91.3 | Very high | 68 Ų | 68 | 108.7 Ų | 108.7 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 173.7 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | I75 Q76 L77 T82 N83 | I75-T79 VanDerWaalsContact O-CB 3.3Å; I75-T79 WeakPolarHBondContact O-CB 3.32Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3.4Å; Q76-T79 WeakPolarHBondContact O-CB 3.34Å; Q76-T79 PolarHBondContact O-N 3.48Å; Q76-T79 VanDerWaalsContact O-N 3.16Å; L77-T79 VanDerWaalsContact C-N 3.26Å; L77-T79 PolarHBondContact O-N 3.37Å; T79-T82 PolarHBondContact O-N 2.95Å; T79-N83 PolarHBondContact O-N 3.28Å; T79-N83 PolarHBondContact O-ND2 3.04Å |
| 80 | E | 91 | Very high | 90.6 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.7 | -48.5 | 175.5 | -70.4 | 171.8 | -175.9 | 0 | 0 | 111.7 | Q76 L77 T82 N83 E84 | Q76-E80 WeakPolarHBondContact O-CG 3.47Å; Q76-E80 PolarHBondContact O-N 3.36Å; L77-E80 PolarHBondContact O-N 3.49Å; E80-T82 VanDerWaalsContact C-N 3.32Å; E80-T82 PolarHBondContact O-N 2.91Å; E80-N83 WeakPolarHBondContact O-CB 3.22Å; E80-N83 PolarHBondContact O-N 3.48Å; E80-N83 VanDerWaalsContact O-N 3.14Å; E80-E84 PolarHBondContact O-N 2.93Å |
| 81 | E | 92.3 | Very high | 89.5 | Confident | 102 Ų | 102 | 107.2 Ų | 107.2 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.6 | -70.5 | 175.1 | 169.8 | 0 | 0 | 112.1 | L77 N83 E84 L85 | L77-E81 WeakPolarHBondContact O-CG 3.38Å; L77-E81 PolarHBondContact O-N 3.21Å; E81-N83 VanDerWaalsContact C-N 3.31Å; E81-N83 PolarHBondContact O-N 3.46Å; E81-E84 PolarHBondContact O-N 3.23Å; E81-L85 WeakPolarHBondContact O-CG 3.39Å; E81-L85 PolarHBondContact O-N 3.34Å |
| 82 | T | 93.9 | Very high | 88.7 | Confident | 64 Ų | 64 | 107 Ų | 107 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 178.6 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | T78 T79 E80 R86 | T78-T82 WeakPolarHBondContact O-CB 3.35Å; T78-T82 PolarHBondContact O-N 3.18Å; T78-T82 PolarHBondContact O-OG1 2.97Å; T79-T82 PolarHBondContact O-N 2.95Å; E80-T82 VanDerWaalsContact C-N 3.32Å; E80-T82 PolarHBondContact O-N 2.91Å; T82-R86 WeakPolarHBondContact O-CG 3.38Å; T82-R86 PolarHBondContact O-N 3.04Å |
| 83 | N | 88.5 | Confident | 87.5 | Confident | 75 Ų | 75 | 108.2 Ų | 108.2 | 40% | 0.401 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 175.1 | -71.5 | -24.2 | 0 | 0 | 0 | 111.4 | T79 E80 E81 L85 R86 D87 | T79-N83 PolarHBondContact O-N 3.28Å; T79-N83 PolarHBondContact O-ND2 3.04Å; E80-N83 WeakPolarHBondContact O-CB 3.22Å; E80-N83 PolarHBondContact O-N 3.48Å; E80-N83 VanDerWaalsContact O-N 3.14Å; E81-N83 VanDerWaalsContact C-N 3.31Å; E81-N83 PolarHBondContact O-N 3.46Å; N83-L85 VanDerWaalsContact C-N 3.34Å; N83-L85 PolarHBondContact O-N 2.99Å; N83-R86 WeakPolarHBondContact O-CB 3.26Å; N83-R86 PolarHBondContact O-N 2.9Å; N83-D87 PolarHBondContact O-N 3.33Å |
| 84 | E | 88.6 | Confident | 85.7 | Confident | 116 Ų | 116 | 108.3 Ų | 108.3 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 173.5 | -99.1 | -161.4 | 167.3 | 0 | 0 | 112.3 | E80 E81 R86 D87 R88 | E80-E84 PolarHBondContact O-N 2.93Å; E81-E84 PolarHBondContact O-N 3.23Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.37Å; E84-D87 PolarHBondContact O-N 2.94Å; E84-R88 WeakPolarHBondContact O-CG 3.46Å; E84-R88 PolarHBondContact O-N 3.09Å; E84-R88 IonicContact OE2-NH2 2.66Å |
| 85 | L | 91.2 | Very high | 83.6 | Confident | 115 Ų | 115 | 104.4 Ų | 104.4 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 177.9 | -72.4 | 176.4 | 0 | 0 | 0 | 112.2 | E81 N83 R88 L89 | E81-L85 WeakPolarHBondContact O-CG 3.39Å; E81-L85 PolarHBondContact O-N 3.34Å; N83-L85 VanDerWaalsContact C-N 3.34Å; N83-L85 PolarHBondContact O-N 2.99Å; L85-R88 PolarHBondContact O-N 2.8Å; L85-L89 VanDerWaalsContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 PolarHBondContact O-N 3.3Å |
| 86 | R | 86.2 | Confident | 81.5 | Confident | 156 Ų | 156 | 102.7 Ų | 102.7 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 173.5 | -79.2 | 176.6 | -177.8 | 171.2 | 3.3 | 111.4 | T82 N83 E84 L89 I90 | T82-R86 WeakPolarHBondContact O-CG 3.38Å; T82-R86 PolarHBondContact O-N 3.04Å; N83-R86 WeakPolarHBondContact O-CB 3.26Å; N83-R86 PolarHBondContact O-N 2.9Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.37Å; R86-L89 PolarHBondContact O-N 3.04Å; R86-I90 WeakPolarHBondContact O-CB 3.44Å; R86-I90 VanDerWaalsContact O-CG1 3.22Å; R86-I90 WeakPolarHBondContact O-CG1 3.31Å; R86-I90 PolarHBondContact O-N 3.13Å |
| 87 | D | 80.4 | Confident | 79.6 | Confident | 109 Ų | 109 | 105.4 Ų | 105.4 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 177.8 | -72.9 | -17.7 | 0 | 0 | 0 | 111.6 | N83 E84 I90 Y91 | N83-D87 PolarHBondContact O-N 3.33Å; E84-D87 PolarHBondContact O-N 2.94Å; D87-I90 PolarHBondContact O-N 2.94Å; D87-Y91 WeakPolarHBondContact O-CB 3.43Å; D87-Y91 PolarHBondContact O-N 2.96Å |
| 88 | R | 83.5 | Confident | 77.8 | Confident | 155 Ų | 155 | 107.7 Ų | 107.7 | 59% | 0.585 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.8 | -41.4 | 172.6 | -69.4 | 179.6 | -171.1 | -162.2 | 7.4 | 112.3 | E84 L85 Y91 V92 | E84-R88 WeakPolarHBondContact O-CG 3.46Å; E84-R88 PolarHBondContact O-N 3.09Å; E84-R88 IonicContact OE2-NH2 2.66Å; L85-R88 PolarHBondContact O-N 2.8Å; R88-Y91 WeakPolarHBondContact O-CB 3.43Å; R88-Y91 PolarHBondContact O-N 3.27Å; R88-V92 WeakPolarHBondContact O-CG2 3.42Å; R88-V92 PolarHBondContact O-N 2.88Å |
| 89 | L | 83 | Confident | 76.1 | Confident | 107 Ų | 107 | 112.9 Ų | 112.9 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 176.3 | -175 | 67.4 | 0 | 0 | 0 | 110.8 | L85 R86 Y91 V92 T93 | L85-L89 VanDerWaalsContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 PolarHBondContact O-N 3.3Å; R86-L89 PolarHBondContact O-N 3.04Å; L89-Y91 VanDerWaalsContact C-N 3.28Å; L89-Y91 PolarHBondContact O-N 2.95Å; L89-V92 PolarHBondContact O-N 2.95Å; L89-T93 VanDerWaalsContact CD1-OG1 3.25Å; L89-T93 WeakPolarHBondContact CD1-OG1 3.49Å; L89-T93 WeakPolarHBondContact O-CA 3.45Å; L89-T93 WeakPolarHBondContact O-CB 3.34Å; L89-T93 PolarHBondContact O-N 3.4Å; L89-T93 PolarHBondContact O-OG1 3.31Å |
| 90 | I | 78.8 | Confident | 74.2 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 44% | 0.441 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.7 | -42.5 | 174 | -70.5 | 164.4 | 0 | 0 | 0 | 110.3 | R86 D87 V92 K94 | R86-I90 WeakPolarHBondContact O-CB 3.44Å; R86-I90 VanDerWaalsContact O-CG1 3.22Å; R86-I90 WeakPolarHBondContact O-CG1 3.31Å; R86-I90 PolarHBondContact O-N 3.13Å; D87-I90 PolarHBondContact O-N 2.94Å; I90-V92 PolarHBondContact O-N 3.47Å; I90-K94 HydrophobicContact CG2-CD 4.14Å; I90-K94 VanDerWaalsContact O-CB 3.29Å; I90-K94 WeakPolarHBondContact O-CB 3.42Å; I90-K94 PolarHBondContact O-N 2.91Å |
| 91 | Y | 70.6 | Confident | 72.6 | Confident | 141 Ų | 141 | 115.5 Ų | 115.5 | 55% | 0.553 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.6 | -42.6 | 176.6 | 178.9 | -81.6 | 0 | 0 | 0 | 113 | D87 R88 L89 R100 | D87-Y91 WeakPolarHBondContact O-CB 3.43Å; D87-Y91 PolarHBondContact O-N 2.96Å; R88-Y91 WeakPolarHBondContact O-CB 3.43Å; R88-Y91 PolarHBondContact O-N 3.27Å; L89-Y91 VanDerWaalsContact C-N 3.28Å; L89-Y91 PolarHBondContact O-N 2.95Å; Y91-R100 PolarHBondContact OH-NH1 3.2Å; Y91-R100 PolarHBondContact OH-NH2 3.06Å; Y91-R100 VanDerWaalsContact OH-NH2 3.15Å |
| 92 | V | 77.4 | Confident | 70.6 | Confident | 105 Ų | 105 | 120.7 Ų | 120.7 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.1 | -50.8 | -179.4 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | R88 L89 I90 G95 | R88-V92 WeakPolarHBondContact O-CG2 3.42Å; R88-V92 PolarHBondContact O-N 2.88Å; L89-V92 PolarHBondContact O-N 2.95Å; I90-V92 PolarHBondContact O-N 3.47Å; V92-G95 PolarHBondContact O-N 2.91Å |
| 93 | T | 70.5 | Confident | 68.8 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 63% | 0.632 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.3 | -37 | -172.4 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | L89 G95 | L89-T93 VanDerWaalsContact CD1-OG1 3.25Å; L89-T93 WeakPolarHBondContact CD1-OG1 3.49Å; L89-T93 WeakPolarHBondContact O-CA 3.45Å; L89-T93 WeakPolarHBondContact O-CB 3.34Å; L89-T93 PolarHBondContact O-N 3.4Å; L89-T93 PolarHBondContact O-OG1 3.31Å; T93-G95 PolarHBondContact O-N 3.46Å; T93-G95 VanDerWaalsContact O-N 3.11Å |
| 94 | K | 58.3 | Low | 67.2 | Low | 147 Ų | 147 | 129.2 Ų | 129.2 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 33.2 | 169.6 | -68.3 | -172 | -179.5 | 170.9 | 0 | 111.7 | I90 S96 | I90-K94 HydrophobicContact CG2-CD 4.14Å; I90-K94 VanDerWaalsContact O-CB 3.29Å; I90-K94 WeakPolarHBondContact O-CB 3.42Å; I90-K94 PolarHBondContact O-N 2.91Å; K94-S96 PolarHBondContact O-N 3.44Å |
| 95 | G | 50.2 | Low | 65.9 | Low | 58 Ų | 58 | 128 Ų | 128 | 60% | 0.598 | 62% | 0.617 | S | S | * | * | trans | -55.4 | 21.1 | 175 | 0 | 0 | 0 | 0 | 0 | 116.9 | V92 T93 M97 | V92-G95 PolarHBondContact O-N 2.91Å; T93-G95 PolarHBondContact O-N 3.46Å; T93-G95 VanDerWaalsContact O-N 3.11Å; G95-M97 PolarHBondContact O-N 3.44Å | ||
| 96 | S | 53.2 | Low | 64.8 | Low | 60 Ų | 60 | 126.5 Ų | 126.5 | 42% | 0.42 | 61% | 0.612 | S | S | . | * | trans | -72.1 | 110.9 | 152.4 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | K94 N98 | K94-S96 PolarHBondContact O-N 3.44Å; S96-N98 PolarHBondContact O-N 2.88Å | ||
| 97 | M | 54.6 | Low | 64.5 | Low | 169 Ų | 169 | 128 Ų | 128 | 83% | 0.833 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -9.7 | 176.5 | -66.6 | -170.9 | 68.8 | 0 | 0 | 114.4 | G95 | G95-M97 PolarHBondContact O-N 3.44Š|
| 98 | N | 56.3 | Low | 64.5 | Low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -2.6 | -163.6 | -55.5 | -14.6 | 0 | 0 | 0 | 114.4 | S96 | S96-N98 PolarHBondContact O-N 2.88Š|
| 99 | K | 56.5 | Low | 64.4 | Low | 166 Ų | 166 | 125.6 Ų | 125.6 | 72% | 0.722 | 61% | 0.606 | S | S | * | * | trans | -122.6 | 17.2 | -171.5 | -62.6 | -168.5 | -179.1 | -175.6 | 0 | 116.5 | P101 | K99-P101 WeakPolarHBondContact O-CD 3.42Š| ||
| 100 | R | 53.3 | Low | 64.5 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | trans | -78.3 | 123.1 | 177.3 | -77.9 | -169.4 | -168.8 | 173.9 | 10.4 | 112.1 | Y91 Y102 H103 | Y91-R100 PolarHBondContact OH-NH1 3.2Å; Y91-R100 PolarHBondContact OH-NH2 3.06Å; Y91-R100 VanDerWaalsContact OH-NH2 3.15Å; R100-Y102 PolarHBondContact O-N 3.05Å; R100-Y102 VanDerWaalsContact O-N 3.07Å; R100-H103 PolarHBondContact O-N 3.28Å | ||
| 101 | P | 58.2 | Low | 65.1 | Low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -13.2 | 172.2 | -22 | 34.1 | 0 | 0 | 0 | 114.2 | K99 | K99-P101 WeakPolarHBondContact O-CD 3.42Š|
| 102 | Y | 50 | Low | 66.1 | Low | 211 Ų | 211 | 124.7 Ų | 124.7 | 83% | 0.827 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 41.4 | 177 | -57.8 | -75.9 | 0 | 0 | 0 | 112.6 | R100 R104 | R100-Y102 PolarHBondContact O-N 3.05Å; R100-Y102 VanDerWaalsContact O-N 3.07Å; Y102-R104 PolarHBondContact O-N 3.42Å |
| 103 | H | 55.8 | Low | 66.7 | Low | 88 Ų | 88 | 123.9 Ų | 123.9 | 41% | 0.407 | 59% | 0.592 | S | S | . | * | trans | -69.9 | 71.9 | 159.4 | -167.1 | 76.9 | 0 | 0 | 0 | 108.8 | R100 Q105 Y109 | R100-H103 PolarHBondContact O-N 3.28Å; H103-Q105 PolarHBondContact O-N 3.09Å; H103-Y109 AromaticContact CD2-CE1 3.99Å; H103-Y109 AromaticContact CE1-CD1 3.84Å; H103-Y109 AromaticContact CE1-CD2 3.79Å; H103-Y109 AromaticContact CE1-CE1 3.88Å; H103-Y109 AromaticContact CE1-CE2 3.83Å; H103-Y109 AromaticContact CE1-CG 3.79Å; H103-Y109 AromaticContact CE1-CZ 3.86Å; H103-Y109 AromaticContact NE2-CD1 3.05Å; H103-Y109 WeakPolarHBondContact NE2-CD1 3.33Å; H103-Y109 AromaticContact NE2-CD2 3.83Å; H103-Y109 AromaticContact NE2-CE1 3.03Å; H103-Y109 WeakPolarHBondContact NE2-CE1 3.32Å; H103-Y109 AromaticContact NE2-CE2 3.82Å; H103-Y109 AromaticContact NE2-CG 3.46Å; H103-Y109 AromaticContact NE2-CZ 3.44Å | ||
| 104 | R | 55.4 | Low | 67.8 | Low | 230 Ų | 230 | 124.7 Ų | 124.7 | 87% | 0.868 | 59% | 0.591 | S | S | * | * | trans | -62 | 95.1 | 160.7 | -169.5 | 178.2 | -169.9 | -178 | 3.1 | 103.7 | Y102 T106 | Y102-R104 PolarHBondContact O-N 3.42Å; R104-T106 VanDerWaalsContact C-N 3.28Å; R104-T106 PolarHBondContact O-N 3.16Å | ||
| 105 | Q | 59.8 | Low | 69.6 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 43% | 0.425 | 59% | 0.588 | S | S | . | * | trans | -49.7 | 99.3 | 178.1 | -66.7 | 170.8 | 4.3 | 0 | 0 | 106.5 | H103 R107 Y109 K110 | H103-Q105 PolarHBondContact O-N 3.09Å; Q105-R107 PolarHBondContact O-N 3.38Å; Q105-Y109 HydrophobicContact CB-CD1 4.13Å; Q105-Y109 HydrophobicContact CG-CD1 4.07Å; Q105-Y109 HydrophobicContact CG-CE1 4.37Å; Q105-K110 HydrophobicContact CB-CD 4.16Å; Q105-K110 HydrophobicContact CB-CG 3.55Å; Q105-K110 HydrophobicContact CG-CG 4.34Å; Q105-K110 VanDerWaalsContact OE1-CD 3.28Å; Q105-K110 VanDerWaalsContact OE1-CG 3.3Å | ||
| 106 | T | 67.9 | Low | 71.7 | Confident | 83 Ų | 83 | 126.4 Ų | 126.4 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | trans | -51.2 | 140 | 174.5 | -52.1 | 0 | 0 | 0 | 0 | 105.6 | R104 H108 Y109 K110 | R104-T106 VanDerWaalsContact C-N 3.28Å; R104-T106 PolarHBondContact O-N 3.16Å; T106-H108 HydrophobicContact CG2-CB 4.21Å; T106-H108 CarbonylContact O-C 3.58Å; T106-H108 PolarHBondContact O-N 2.92Å; T106-Y109 WeakPolarHBondContact O-CA 3.42Å; T106-Y109 WeakPolarHBondContact O-CB 3.41Å; T106-Y109 PolarHBondContact O-N 3.31Å; T106-K110 PolarHBondContact O-N 3.15Å; T106-K110 VanDerWaalsContact O-N 3.13Å | ||
| 107 | R | 81 | Confident | 73.8 | Confident | 186 Ų | 186 | 130.1 Ų | 130.1 | 70% | 0.702 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -42.9 | -44.2 | 177.6 | 175.6 | -178.5 | 170.4 | 176.5 | 4.1 | 111.1 | Q105 Y109 K110 E111 | Q105-R107 PolarHBondContact O-N 3.38Å; R107-Y109 PolarHBondContact O-N 3Å; R107-K110 PolarHBondContact O-N 3.33Å; R107-E111 VanDerWaalsContact CG-OE1 3.31Å; R107-E111 WeakPolarHBondContact CG-OE1 3.31Å; R107-E111 IonicContact CZ-OE1 2.96Å; R107-E111 IonicContact NE-OE1 2.67Å; R107-E111 PolarHBondContact NE-OE1 2.96Å; R107-E111 IonicContact NH2-OE1 3.78Å; R107-E111 WeakPolarHBondContact O-CG 3.45Å; R107-E111 PolarHBondContact O-N 2.92Å |
| 108 | H | 80.2 | Confident | 75.9 | Confident | 130 Ų | 130 | 127.8 Ų | 127.8 | 60% | 0.602 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.4 | -38.6 | 173.5 | -56.8 | -51.2 | 0 | 0 | 0 | 115.2 | T106 E111 L112 | T106-H108 HydrophobicContact CG2-CB 4.21Å; T106-H108 CarbonylContact O-C 3.58Å; T106-H108 PolarHBondContact O-N 2.92Å; H108-E111 IonicContact ND1-OE2 3.86Å; H108-E111 PolarHBondContact O-N 3.2Å; H108-L112 VanDerWaalsContact O-CB 3.28Å; H108-L112 WeakPolarHBondContact O-CB 3.41Å; H108-L112 PolarHBondContact O-N 3.29Å |
| 109 | Y | 80.9 | Confident | 77.8 | Confident | 84 Ų | 84 | 125.8 Ų | 125.8 | 33% | 0.329 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.8 | -40.8 | 175.7 | 179 | -90.7 | 0 | 0 | 0 | 111.7 | H103 Q105 T106 R107 L112 K113 | H103-Y109 AromaticContact CD2-CE1 3.99Å; H103-Y109 AromaticContact CE1-CD1 3.84Å; H103-Y109 AromaticContact CE1-CD2 3.79Å; H103-Y109 AromaticContact CE1-CE1 3.88Å; H103-Y109 AromaticContact CE1-CE2 3.83Å; H103-Y109 AromaticContact CE1-CG 3.79Å; H103-Y109 AromaticContact CE1-CZ 3.86Å; H103-Y109 AromaticContact NE2-CD1 3.05Å; H103-Y109 WeakPolarHBondContact NE2-CD1 3.33Å; H103-Y109 AromaticContact NE2-CD2 3.83Å; H103-Y109 AromaticContact NE2-CE1 3.03Å; H103-Y109 WeakPolarHBondContact NE2-CE1 3.32Å; H103-Y109 AromaticContact NE2-CE2 3.82Å; H103-Y109 AromaticContact NE2-CG 3.46Å; H103-Y109 AromaticContact NE2-CZ 3.44Å; Q105-Y109 HydrophobicContact CB-CD1 4.13Å; Q105-Y109 HydrophobicContact CG-CD1 4.07Å; Q105-Y109 HydrophobicContact CG-CE1 4.37Å; T106-Y109 WeakPolarHBondContact O-CA 3.42Å; T106-Y109 WeakPolarHBondContact O-CB 3.41Å; T106-Y109 PolarHBondContact O-N 3.31Å; R107-Y109 PolarHBondContact O-N 3Å; Y109-L112 PolarHBondContact O-N 2.94Å; Y109-K113 HydrophobicContact CE1-CD 4.03Å; Y109-K113 WeakPolarHBondContact O-CB 3.46Å; Y109-K113 PolarHBondContact O-N 2.94Å |
| 110 | K | 86.1 | Confident | 79.8 | Confident | 122 Ų | 122 | 123.4 Ų | 123.4 | 53% | 0.53 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -46 | 174.8 | -59.9 | -164.1 | -166.6 | -164.8 | 0 | 111.2 | Q105 T106 R107 K113 L114 | Q105-K110 HydrophobicContact CB-CD 4.16Å; Q105-K110 HydrophobicContact CB-CG 3.55Å; Q105-K110 HydrophobicContact CG-CG 4.34Å; Q105-K110 VanDerWaalsContact OE1-CD 3.28Å; Q105-K110 VanDerWaalsContact OE1-CG 3.3Å; T106-K110 PolarHBondContact O-N 3.15Å; T106-K110 VanDerWaalsContact O-N 3.13Å; R107-K110 PolarHBondContact O-N 3.33Å; K110-K113 PolarHBondContact O-N 3.08Å; K110-L114 PolarHBondContact O-N 2.84Å |
| 111 | E | 91.8 | Very high | 81.9 | Confident | 80 Ų | 80 | 121.4 Ų | 121.4 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.8 | -44.9 | 176.2 | -71.4 | 167.4 | -175.6 | 0 | 0 | 111.2 | R107 H108 L114 K115 | R107-E111 VanDerWaalsContact CG-OE1 3.31Å; R107-E111 WeakPolarHBondContact CG-OE1 3.31Å; R107-E111 IonicContact CZ-OE1 2.96Å; R107-E111 IonicContact NE-OE1 2.67Å; R107-E111 PolarHBondContact NE-OE1 2.96Å; R107-E111 IonicContact NH2-OE1 3.78Å; R107-E111 WeakPolarHBondContact O-CG 3.45Å; R107-E111 PolarHBondContact O-N 2.92Å; H108-E111 IonicContact ND1-OE2 3.86Å; H108-E111 PolarHBondContact O-N 3.2Å; E111-L114 PolarHBondContact O-N 3.45Å; E111-K115 WeakPolarHBondContact O-CG 3.44Å; E111-K115 PolarHBondContact O-N 3.24Å |
| 112 | L | 90.5 | Very high | 83.8 | Confident | 113 Ų | 113 | 121.6 Ų | 121.6 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.8 | -45 | 177.2 | -169 | 104.1 | 0 | 0 | 0 | 112 | H108 Y109 L114 K115 E116 | H108-L112 VanDerWaalsContact O-CB 3.28Å; H108-L112 WeakPolarHBondContact O-CB 3.41Å; H108-L112 PolarHBondContact O-N 3.29Å; Y109-L112 PolarHBondContact O-N 2.94Å; L112-L114 VanDerWaalsContact C-N 3.28Å; L112-L114 PolarHBondContact O-N 3.44Å; L112-K115 WeakPolarHBondContact O-CB 3.41Å; L112-K115 PolarHBondContact O-N 3.44Å; L112-E116 WeakPolarHBondContact O-CB 3.37Å; L112-E116 PolarHBondContact O-N 2.97Å |
| 113 | K | 89.7 | Confident | 86.1 | Confident | 89 Ų | 89 | 116 Ų | 116 | 39% | 0.387 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -30.9 | 178.8 | -169.6 | 171 | -172.9 | 170.1 | 0 | 112.5 | Y109 K110 K117 | Y109-K113 HydrophobicContact CE1-CD 4.03Å; Y109-K113 WeakPolarHBondContact O-CB 3.46Å; Y109-K113 PolarHBondContact O-N 2.94Å; K110-K113 PolarHBondContact O-N 3.08Å; K113-K117 WeakPolarHBondContact O-CG 3.41Å; K113-K117 PolarHBondContact O-N 3.47Å |
| 114 | L | 93.7 | Very high | 88.1 | Confident | 119 Ų | 119 | 116.9 Ų | 116.9 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.3 | -46.4 | 172 | -166.6 | 111.9 | 0 | 0 | 0 | 110.7 | K110 E111 L112 E116 K117 E118 | K110-L114 PolarHBondContact O-N 2.84Å; E111-L114 PolarHBondContact O-N 3.45Å; L112-L114 VanDerWaalsContact C-N 3.28Å; L112-L114 PolarHBondContact O-N 3.44Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.93Å; L114-K117 WeakPolarHBondContact O-CB 3.45Å; L114-K117 PolarHBondContact O-N 3.44Å; L114-E118 PolarHBondContact O-N 3.12Å |
| 115 | K | 96.3 | Very high | 90.1 | Very high | 129 Ų | 129 | 110 Ų | 110 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 174.5 | -73.2 | -179.1 | 177.7 | -174.8 | 0 | 112.5 | E111 L112 K117 E118 I119 | E111-K115 WeakPolarHBondContact O-CG 3.44Å; E111-K115 PolarHBondContact O-N 3.24Å; L112-K115 WeakPolarHBondContact O-CB 3.41Å; L112-K115 PolarHBondContact O-N 3.44Å; K115-K117 PolarHBondContact O-N 3.01Å; K115-E118 PolarHBondContact O-N 3.22Å; K115-I119 WeakPolarHBondContact O-CB 3.43Å; K115-I119 VanDerWaalsContact O-CG1 3.23Å; K115-I119 WeakPolarHBondContact O-CG1 3.45Å; K115-I119 PolarHBondContact O-N 3.03Å |
| 116 | E | 95.2 | Very high | 92 | Very high | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 174.4 | 179.8 | -173 | -172 | 0 | 0 | 110.7 | L112 L114 E118 I119 M120 | L112-E116 WeakPolarHBondContact O-CB 3.37Å; L112-E116 PolarHBondContact O-N 2.97Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 2.93Å; E116-E118 PolarHBondContact O-N 3.15Å; E116-I119 PolarHBondContact O-N 3.28Å; E116-M120 WeakPolarHBondContact O-CB 3.29Å; E116-M120 VanDerWaalsContact O-CG 3.23Å; E116-M120 WeakPolarHBondContact O-CG 3.28Å; E116-M120 PolarHBondContact O-N 3.39Å |
| 117 | K | 97.1 | Very high | 93.4 | Very high | 138 Ų | 138 | 111.3 Ų | 111.3 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -43.5 | 176.6 | -71.7 | 178.3 | 176.9 | -171 | 0 | 112.3 | K113 L114 K115 M120 T121 | K113-K117 WeakPolarHBondContact O-CG 3.41Å; K113-K117 PolarHBondContact O-N 3.47Å; L114-K117 WeakPolarHBondContact O-CB 3.45Å; L114-K117 PolarHBondContact O-N 3.44Å; K115-K117 PolarHBondContact O-N 3.01Å; K117-M120 PolarHBondContact O-N 3.24Å; K117-T121 PolarHBondContact O-N 3.38Å; K117-T121 PolarHBondContact O-OG1 3.45Å |
| 118 | E | 97.8 | Very high | 94.2 | Very high | 121 Ų | 121 | 106.9 Ų | 106.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 178.1 | -172.9 | 178.2 | -174.1 | 0 | 0 | 112 | L114 K115 E116 T121 F122 | L114-E118 PolarHBondContact O-N 3.12Å; K115-E118 PolarHBondContact O-N 3.22Å; E116-E118 PolarHBondContact O-N 3.15Å; E118-T121 WeakPolarHBondContact CA-OG1 3.41Å; E118-T121 PolarHBondContact O-N 3.04Å; E118-T121 PolarHBondContact O-OG1 3.22Å; E118-F122 WeakPolarHBondContact O-CB 3.35Å; E118-F122 PolarHBondContact O-N 3.11Å |
| 119 | I | 98 | Very high | 95.1 | Very high | 100 Ų | 100 | 107 Ų | 107 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.2 | -69.3 | 165.6 | 0 | 0 | 0 | 110.7 | K115 E116 T121 F122 L123 | K115-I119 WeakPolarHBondContact O-CB 3.43Å; K115-I119 VanDerWaalsContact O-CG1 3.23Å; K115-I119 WeakPolarHBondContact O-CG1 3.45Å; K115-I119 PolarHBondContact O-N 3.03Å; E116-I119 PolarHBondContact O-N 3.28Å; I119-T121 PolarHBondContact O-N 3.31Å; I119-F122 PolarHBondContact O-N 2.93Å; I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.34Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 WeakPolarHBondContact O-CG 3.44Å; I119-L123 PolarHBondContact O-N 3.45Å |
| 120 | M | 97.4 | Very high | 95.9 | Very high | 117 Ų | 117 | 107.5 Ų | 107.5 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 177.7 | -73.5 | -60.4 | -62.4 | 0 | 0 | 112.2 | E116 K117 L123 H124 | E116-M120 WeakPolarHBondContact O-CB 3.29Å; E116-M120 VanDerWaalsContact O-CG 3.23Å; E116-M120 WeakPolarHBondContact O-CG 3.28Å; E116-M120 PolarHBondContact O-N 3.39Å; K117-M120 PolarHBondContact O-N 3.24Å; M120-L123 PolarHBondContact O-N 2.77Å; M120-L123 HydrophobicContact SD-CD1 4.43Å; M120-H124 PolarHBondContact O-N 3.34Å; M120-H124 VanDerWaalsContact O-N 3.09Å |
| 121 | T | 97.7 | Very high | 96.5 | Very high | 86 Ų | 86 | 105.2 Ų | 105.2 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.2 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | K117 E118 I119 L123 H124 D125 | K117-T121 PolarHBondContact O-N 3.38Å; K117-T121 PolarHBondContact O-OG1 3.45Å; E118-T121 WeakPolarHBondContact CA-OG1 3.41Å; E118-T121 PolarHBondContact O-N 3.04Å; E118-T121 PolarHBondContact O-OG1 3.22Å; I119-T121 PolarHBondContact O-N 3.31Å; T121-L123 PolarHBondContact O-N 2.97Å; T121-H124 PolarHBondContact O-N 3.24Å; T121-D125 PolarHBondContact O-N 3.48Å |
| 122 | F | 98.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 106.9 Ų | 106.9 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 178 | -179.1 | -103.3 | 0 | 0 | 0 | 112.6 | E118 I119 D125 L126 | E118-F122 WeakPolarHBondContact O-CB 3.35Å; E118-F122 PolarHBondContact O-N 3.11Å; I119-F122 PolarHBondContact O-N 2.93Å; F122-D125 PolarHBondContact O-N 3.21Å; F122-L126 HydrophobicContact CD1-CD1 3.81Å; F122-L126 HydrophobicContact CD1-CG 4.36Å; F122-L126 HydrophobicContact CE1-CD1 3.29Å; F122-L126 HydrophobicContact CE1-CG 4.01Å; F122-L126 HydrophobicContact CZ-CD1 3.75Å; F122-L126 HydrophobicContact CZ-CD2 4.34Å; F122-L126 HydrophobicContact CZ-CG 4.08Å; F122-L126 WeakPolarHBondContact O-CG 3.39Å; F122-L126 PolarHBondContact O-N 3.43Å |
| 123 | L | 98.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 103.7 Ų | 103.7 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.9 | -78.3 | 171.5 | 0 | 0 | 0 | 111.8 | I119 M120 T121 L126 E127 | I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.34Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 WeakPolarHBondContact O-CG 3.44Å; I119-L123 PolarHBondContact O-N 3.45Å; M120-L123 PolarHBondContact O-N 2.77Å; M120-L123 HydrophobicContact SD-CD1 4.43Å; T121-L123 PolarHBondContact O-N 2.97Å; L123-L126 PolarHBondContact O-N 2.81Å; L123-E127 WeakPolarHBondContact O-CB 3.49Å; L123-E127 PolarHBondContact O-N 3.1Å |
| 124 | H | 98.2 | Very high | 97.5 | Very high | 107 Ų | 107 | 106.5 Ų | 106.5 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176 | 178.7 | -81.8 | 0 | 0 | 0 | 111.4 | M120 T121 L126 E127 M128 | M120-H124 PolarHBondContact O-N 3.34Å; M120-H124 VanDerWaalsContact O-N 3.09Å; T121-H124 PolarHBondContact O-N 3.24Å; H124-L126 VanDerWaalsContact C-N 3.33Å; H124-L126 PolarHBondContact O-N 3.31Å; H124-E127 WeakPolarHBondContact O-CB 3.44Å; H124-E127 PolarHBondContact O-N 2.93Å; H124-M128 WeakPolarHBondContact O-CG 3.27Å; H124-M128 PolarHBondContact O-N 3.42Å |
| 125 | D | 97.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 106.2 Ų | 106.2 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.5 | -70.2 | -12.9 | 0 | 0 | 0 | 112.4 | T121 F122 M128 K129 | T121-D125 PolarHBondContact O-N 3.48Å; F122-D125 PolarHBondContact O-N 3.21Å; D125-M128 PolarHBondContact O-N 2.95Å; D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.39Å; D125-K129 PolarHBondContact O-N 3.05Å |
| 126 | L | 98.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.403 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 173.9 | -77.9 | 179.5 | 0 | 0 | 0 | 112.3 | F122 L123 H124 K129 N130 | F122-L126 HydrophobicContact CD1-CD1 3.81Å; F122-L126 HydrophobicContact CD1-CG 4.36Å; F122-L126 HydrophobicContact CE1-CD1 3.29Å; F122-L126 HydrophobicContact CE1-CG 4.01Å; F122-L126 HydrophobicContact CZ-CD1 3.75Å; F122-L126 HydrophobicContact CZ-CD2 4.34Å; F122-L126 HydrophobicContact CZ-CG 4.08Å; F122-L126 WeakPolarHBondContact O-CG 3.39Å; F122-L126 PolarHBondContact O-N 3.43Å; L123-L126 PolarHBondContact O-N 2.81Å; H124-L126 VanDerWaalsContact C-N 3.33Å; H124-L126 PolarHBondContact O-N 3.31Å; L126-K129 PolarHBondContact O-N 3.04Å; L126-N130 WeakPolarHBondContact O-CB 3.47Å; L126-N130 PolarHBondContact O-N 3.07Å |
| 127 | E | 98.4 | Very high | 97.9 | Very high | 126 Ų | 126 | 102.6 Ų | 102.6 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -45.4 | 175.8 | -175.1 | 172.5 | -168.4 | 0 | 0 | 111 | L123 H124 N130 M131 | L123-E127 WeakPolarHBondContact O-CB 3.49Å; L123-E127 PolarHBondContact O-N 3.1Å; H124-E127 WeakPolarHBondContact O-CB 3.44Å; H124-E127 PolarHBondContact O-N 2.93Å; E127-N130 PolarHBondContact O-N 3.12Å; E127-M131 PolarHBondContact O-N 2.95Å |
| 128 | M | 97.8 | Very high | 97.9 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.1 | -67.9 | -53.6 | -58.3 | 0 | 0 | 112.2 | H124 D125 N130 M131 E132 | H124-M128 WeakPolarHBondContact O-CG 3.27Å; H124-M128 PolarHBondContact O-N 3.42Å; D125-M128 PolarHBondContact O-N 2.95Å; M128-N130 VanDerWaalsContact C-N 3.3Å; M128-N130 PolarHBondContact O-N 3.02Å; M128-M131 WeakPolarHBondContact O-CB 3.39Å; M128-M131 PolarHBondContact O-N 3.38Å; M128-E132 PolarHBondContact O-N 3.4Å |
| 129 | K | 98.1 | Very high | 97.8 | Very high | 131 Ų | 131 | 99.4 Ų | 99.4 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.6 | -37.2 | 176.4 | -74 | 172.1 | -177.1 | 173.2 | 0 | 112.6 | D125 L126 A133 | D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.39Å; D125-K129 PolarHBondContact O-N 3.05Å; L126-K129 PolarHBondContact O-N 3.04Å; K129-A133 WeakPolarHBondContact O-CB 3.17Å; K129-A133 PolarHBondContact O-N 3.44Å |
| 130 | N | 98 | Very high | 97.8 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 177.1 | -168.3 | -40.8 | 0 | 0 | 0 | 111.2 | L126 E127 M128 A133 R134 | L126-N130 WeakPolarHBondContact O-CB 3.47Å; L126-N130 PolarHBondContact O-N 3.07Å; E127-N130 PolarHBondContact O-N 3.12Å; M128-N130 VanDerWaalsContact C-N 3.3Å; M128-N130 PolarHBondContact O-N 3.02Å; N130-A133 PolarHBondContact O-N 2.95Å; N130-R134 WeakPolarHBondContact O-CB 3.27Å; N130-R134 PolarHBondContact O-N 2.83Å; N130-R134 PolarHBondContact OD1-NH2 3.24Å |
| 131 | M | 97.7 | Very high | 97.8 | Very high | 74 Ų | 74 | 100.9 Ų | 100.9 | 37% | 0.365 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 173.8 | -169.4 | 179.2 | -58.1 | 0 | 0 | 111.4 | E127 M128 A133 R134 E135 | E127-M131 PolarHBondContact O-N 2.95Å; M128-M131 WeakPolarHBondContact O-CB 3.39Å; M128-M131 PolarHBondContact O-N 3.38Å; M131-A133 PolarHBondContact O-N 2.84Å; M131-R134 WeakPolarHBondContact O-CB 3.35Å; M131-R134 PolarHBondContact O-N 2.89Å; M131-R134 VanDerWaalsContact O-N 3.13Å; M131-E135 PolarHBondContact O-N 3.01Å |
| 132 | E | 97.7 | Very high | 97.8 | Very high | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177 | -173.5 | -175.4 | 176.5 | 0 | 0 | 112 | M128 R134 E135 N136 | M128-E132 PolarHBondContact O-N 3.4Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.66Å; E132-E135 PolarHBondContact O-N 3.26Å; E132-N136 WeakPolarHBondContact O-CB 3.45Å; E132-N136 PolarHBondContact O-N 3.4Å; E132-N136 PolarHBondContact O-ND2 3.11Å |
| 133 | A | 98 | Very high | 97.8 | Very high | 46 Ų | 46 | 98.8 Ų | 98.8 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K129 N130 M131 N137 | K129-A133 WeakPolarHBondContact O-CB 3.17Å; K129-A133 PolarHBondContact O-N 3.44Å; N130-A133 PolarHBondContact O-N 2.95Å; M131-A133 PolarHBondContact O-N 2.84Å; A133-N137 WeakPolarHBondContact O-CB 3.31Å; A133-N137 VanDerWaalsContact O-CG 3.29Å; A133-N137 PolarHBondContact O-N 3.44Å; A133-N137 PolarHBondContact O-ND2 3.33Å |
| 134 | R | 98.1 | Very high | 97.8 | Very high | 148 Ų | 148 | 101.9 Ų | 101.9 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 176.3 | -172 | -174 | -55.2 | 135.7 | 10 | 111.6 | N130 M131 E132 N137 Q138 | N130-R134 WeakPolarHBondContact O-CB 3.27Å; N130-R134 PolarHBondContact O-N 2.83Å; N130-R134 PolarHBondContact OD1-NH2 3.24Å; M131-R134 WeakPolarHBondContact O-CB 3.35Å; M131-R134 PolarHBondContact O-N 2.89Å; M131-R134 VanDerWaalsContact O-N 3.13Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.66Å; R134-N137 PolarHBondContact O-N 3.41Å; R134-Q138 PolarHBondContact O-N 3.17Å |
| 135 | E | 97.6 | Very high | 97.7 | Very high | 113 Ų | 113 | 100.4 Ų | 100.4 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 176.4 | -70.3 | 178.2 | 173.4 | 0 | 0 | 111.1 | M131 E132 N137 Q138 E139 | M131-E135 PolarHBondContact O-N 3.01Å; E132-E135 PolarHBondContact O-N 3.26Å; E135-N137 VanDerWaalsContact C-N 3.31Å; E135-N137 PolarHBondContact O-N 3.4Å; E135-Q138 WeakPolarHBondContact O-CA 3.44Å; E135-Q138 WeakPolarHBondContact O-CB 3.34Å; E135-Q138 PolarHBondContact O-N 3.06Å; E135-E139 PolarHBondContact O-N 2.87Å |
| 136 | N | 97.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 98.7 Ų | 98.7 | 32% | 0.321 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.8 | -42.6 | 175.6 | -76.2 | -32.2 | 0 | 0 | 0 | 112.3 | E132 Q138 E139 L140 | E132-N136 WeakPolarHBondContact O-CB 3.45Å; E132-N136 PolarHBondContact O-N 3.4Å; E132-N136 PolarHBondContact O-ND2 3.11Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 PolarHBondContact O-N 3.38Å; N136-E139 PolarHBondContact O-N 3.11Å; N136-L140 WeakPolarHBondContact O-CG 3.46Å; N136-L140 PolarHBondContact O-N 3.39Å |
| 137 | N | 97.5 | Very high | 97.7 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.3 | -36.7 | 175.3 | -81.3 | -40.5 | 0 | 0 | 0 | 112.7 | A133 R134 E135 K141 | A133-N137 WeakPolarHBondContact O-CB 3.31Å; A133-N137 VanDerWaalsContact O-CG 3.29Å; A133-N137 PolarHBondContact O-N 3.44Å; A133-N137 PolarHBondContact O-ND2 3.33Å; R134-N137 PolarHBondContact O-N 3.41Å; E135-N137 VanDerWaalsContact C-N 3.31Å; E135-N137 PolarHBondContact O-N 3.4Å; N137-K141 WeakPolarHBondContact O-CB 3.26Å; N137-K141 PolarHBondContact O-N 3.48Å |
| 138 | Q | 97.7 | Very high | 97.6 | Very high | 115 Ų | 115 | 103 Ų | 103 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 175.7 | -170.6 | 178.5 | -2.7 | 0 | 0 | 111.5 | R134 E135 N136 K141 K142 | R134-Q138 PolarHBondContact O-N 3.17Å; E135-Q138 WeakPolarHBondContact O-CA 3.44Å; E135-Q138 WeakPolarHBondContact O-CB 3.34Å; E135-Q138 PolarHBondContact O-N 3.06Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 PolarHBondContact O-N 3.38Å; Q138-K141 PolarHBondContact O-N 3.4Å; Q138-K142 WeakPolarHBondContact O-CG 3.5Å; Q138-K142 PolarHBondContact O-N 3.06Å |
| 139 | E | 96.5 | Very high | 97.6 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 173.8 | -66.7 | -167.7 | 165.2 | 0 | 0 | 112.2 | M1 E135 N136 K141 K142 E143 | M1-E139 WeakPolarHBondContact CE-OE2 3.33Å; E135-E139 PolarHBondContact O-N 2.87Å; N136-E139 PolarHBondContact O-N 3.11Å; E139-K141 PolarHBondContact O-N 3.22Å; E139-K142 WeakPolarHBondContact O-CA 3.31Å; E139-K142 WeakPolarHBondContact O-CB 3.42Å; E139-K142 PolarHBondContact O-N 3.36Å; E139-E143 PolarHBondContact O-N 3.14Å |
| 140 | L | 97.6 | Very high | 97.6 | Very high | 101 Ų | 101 | 99.8 Ų | 99.8 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 174.5 | -72.2 | 174.2 | 0 | 0 | 0 | 112 | N136 E143 K144 | N136-L140 WeakPolarHBondContact O-CG 3.46Å; N136-L140 PolarHBondContact O-N 3.39Å; L140-E143 PolarHBondContact O-N 3.34Å; L140-K144 WeakPolarHBondContact O-CB 3.48Å; L140-K144 PolarHBondContact O-N 3.46Å |
| 141 | K | 98 | Very high | 97.6 | Very high | 146 Ų | 146 | 101.2 Ų | 101.2 | 64% | 0.635 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 173.9 | -173.4 | 177.1 | -179.5 | 178.7 | 0 | 111.9 | N137 Q138 E139 N145 | N137-K141 WeakPolarHBondContact O-CB 3.26Å; N137-K141 PolarHBondContact O-N 3.48Å; Q138-K141 PolarHBondContact O-N 3.4Å; E139-K141 PolarHBondContact O-N 3.22Å; K141-N145 VanDerWaalsContact O-CG 3.3Å; K141-N145 PolarHBondContact O-N 3.05Å; K141-N145 VanDerWaalsContact O-N 3.14Å; K141-N145 PolarHBondContact O-ND2 2.93Å |
| 142 | K | 97.6 | Very high | 97.6 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 174.3 | -69.1 | 170.7 | -176.7 | 173.4 | 0 | 110.8 | F4 Q138 E139 N145 F146 | F4-K142 HydrophobicContact CZ-CB 4.22Å; Q138-K142 WeakPolarHBondContact O-CG 3.5Å; Q138-K142 PolarHBondContact O-N 3.06Å; E139-K142 WeakPolarHBondContact O-CA 3.31Å; E139-K142 WeakPolarHBondContact O-CB 3.42Å; E139-K142 PolarHBondContact O-N 3.36Å; K142-N145 PolarHBondContact O-N 2.93Å; K142-F146 PolarHBondContact O-N 3.14Å |
| 143 | E | 97.1 | Very high | 97.6 | Very high | 53 Ų | 53 | 102.3 Ų | 102.3 | 25% | 0.248 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 178.6 | -178.8 | 169 | -156.2 | 0 | 0 | 112.3 | F4 E139 L140 N145 F146 Y147 | F4-E143 HydrophobicContact CD2-CB 4.01Å; F4-E143 HydrophobicContact CD2-CG 3.98Å; F4-E143 HydrophobicContact CE2-CB 3.74Å; F4-E143 HydrophobicContact CE2-CG 4.11Å; F4-E143 HydrophobicContact CZ-CB 4.35Å; E139-E143 PolarHBondContact O-N 3.14Å; L140-E143 PolarHBondContact O-N 3.34Å; E143-N145 VanDerWaalsContact C-N 3.29Å; E143-N145 PolarHBondContact O-N 3.1Å; E143-F146 WeakPolarHBondContact O-CB 3.27Å; E143-F146 PolarHBondContact O-N 3.33Å; E143-F146 VanDerWaalsContact O-N 3.1Å; E143-Y147 HydrophobicContact CG-CD2 3.74Å; E143-Y147 HydrophobicContact CG-CE2 3.3Å; E143-Y147 VanDerWaalsContact O-CD2 3.27Å; E143-Y147 WeakPolarHBondContact O-CD2 3.4Å; E143-Y147 PolarHBondContact O-N 2.85Å; E143-Y147 VanDerWaalsContact OE1-CE2 3.29Å; E143-Y147 WeakPolarHBondContact OE1-CE2 3.38Å; E143-Y147 PolarHBondContact OE1-OH 3.07Å |
| 144 | K | 97.7 | Very high | 97.6 | Very high | 158 Ų | 158 | 105 Ų | 105 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -56.1 | -43.8 | 173.6 | -179.4 | 178 | 178.4 | 175.1 | 0 | 112 | L140 Y147 R148 | L140-K144 WeakPolarHBondContact O-CB 3.48Å; L140-K144 PolarHBondContact O-N 3.46Å; K144-Y147 PolarHBondContact O-N 3.01Å; K144-R148 WeakPolarHBondContact O-CB 3.37Å; K144-R148 PolarHBondContact O-N 3.35Å |
| 145 | N | 97.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 101.8 Ų | 101.8 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 177.7 | -74 | -20.8 | 0 | 0 | 0 | 112.3 | K141 K142 E143 R148 N149 | K141-N145 VanDerWaalsContact O-CG 3.3Å; K141-N145 PolarHBondContact O-N 3.05Å; K141-N145 VanDerWaalsContact O-N 3.14Å; K141-N145 PolarHBondContact O-ND2 2.93Å; K142-N145 PolarHBondContact O-N 2.93Å; E143-N145 VanDerWaalsContact C-N 3.29Å; E143-N145 PolarHBondContact O-N 3.1Å; N145-R148 PolarHBondContact O-N 3.28Å; N145-N149 WeakPolarHBondContact O-CB 3.47Å; N145-N149 PolarHBondContact O-N 3.5Å |
| 146 | F | 97.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 101.9 Ų | 101.9 | 22% | 0.215 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 174.2 | 174.7 | -95.3 | 0 | 0 | 0 | 111.4 | L7 F11 K142 E143 R148 N149 L150 | L7-F146 HydrophobicContact CB-CZ 4.35Å; L7-F146 HydrophobicContact CD1-CE1 4.17Å; F11-F146 HydrophobicContact CD2-CE2 4.33Å; K142-F146 PolarHBondContact O-N 3.14Å; E143-F146 WeakPolarHBondContact O-CB 3.27Å; E143-F146 PolarHBondContact O-N 3.33Å; E143-F146 VanDerWaalsContact O-N 3.1Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 3.4Å; F146-N149 PolarHBondContact O-N 2.97Å; F146-L150 HydrophobicContact CE1-CD2 4.31Å; F146-L150 WeakPolarHBondContact O-CB 3.49Å; F146-L150 PolarHBondContact O-N 3.29Å |
| 147 | Y | 97.4 | Very high | 97.6 | Very high | 117 Ų | 117 | 100.5 Ų | 100.5 | 46% | 0.459 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 177.9 | -71.5 | -61.4 | 0 | 0 | 0 | 112.7 | E143 K144 L150 H151 | E143-Y147 HydrophobicContact CG-CD2 3.74Å; E143-Y147 HydrophobicContact CG-CE2 3.3Å; E143-Y147 VanDerWaalsContact O-CD2 3.27Å; E143-Y147 WeakPolarHBondContact O-CD2 3.4Å; E143-Y147 PolarHBondContact O-N 2.85Å; E143-Y147 VanDerWaalsContact OE1-CE2 3.29Å; E143-Y147 WeakPolarHBondContact OE1-CE2 3.38Å; E143-Y147 PolarHBondContact OE1-OH 3.07Å; K144-Y147 PolarHBondContact O-N 3.01Å; Y147-L150 PolarHBondContact O-N 3.33Å; Y147-H151 VanDerWaalsContact O-CB 3.31Å; Y147-H151 WeakPolarHBondContact O-CB 3.29Å; Y147-H151 PolarHBondContact O-N 3.18Å |
| 148 | R | 97.9 | Very high | 97.7 | Very high | 175 Ų | 175 | 99.4 Ų | 99.4 | 66% | 0.66 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.5 | -47.2 | 174.6 | -166.4 | -177.1 | 98.8 | -160.6 | 9.7 | 111.6 | K144 N145 F146 H151 T152 | K144-R148 WeakPolarHBondContact O-CB 3.37Å; K144-R148 PolarHBondContact O-N 3.35Å; N145-R148 PolarHBondContact O-N 3.28Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 3.4Å; R148-H151 PolarHBondContact O-N 2.98Å; R148-T152 PolarHBondContact O-N 3.4Å; R148-T152 PolarHBondContact O-OG1 3.02Å; R148-T152 VanDerWaalsContact O-OG1 3.11Å |
| 149 | N | 97.5 | Very high | 97.7 | Very high | 96 Ų | 96 | 97.3 Ų | 97.3 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 177.7 | -176.4 | -38.5 | 0 | 0 | 0 | 111.1 | N145 F146 H151 T152 R153 | N145-N149 WeakPolarHBondContact O-CB 3.47Å; N145-N149 PolarHBondContact O-N 3.5Å; F146-N149 PolarHBondContact O-N 2.97Å; N149-H151 VanDerWaalsContact C-N 3.31Å; N149-H151 PolarHBondContact O-N 3.25Å; N149-T152 PolarHBondContact O-N 3Å; N149-R153 WeakPolarHBondContact O-CG 3.37Å; N149-R153 PolarHBondContact O-N 3.32Å; N149-R153 VanDerWaalsContact OD1-CD 3.27Å; N149-R153 WeakPolarHBondContact OD1-CD 3.47Å |
| 150 | L | 97.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 98.6 Ų | 98.6 | 33% | 0.325 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 176.9 | -178.1 | 62.3 | 0 | 0 | 0 | 111.5 | F146 Y147 T152 R153 I154 | F146-L150 HydrophobicContact CE1-CD2 4.31Å; F146-L150 WeakPolarHBondContact O-CB 3.49Å; F146-L150 PolarHBondContact O-N 3.29Å; Y147-L150 PolarHBondContact O-N 3.33Å; L150-T152 PolarHBondContact O-N 3.43Å; L150-R153 PolarHBondContact O-N 2.85Å; L150-I154 HydrophobicContact CD1-CD1 4.22Å; L150-I154 HydrophobicContact CD1-CG1 4.44Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 2.91Å |
| 151 | H | 98.1 | Very high | 97.7 | Very high | 125 Ų | 125 | 99.4 Ų | 99.4 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 176.7 | -177.2 | 68.4 | 0 | 0 | 0 | 112.1 | Y147 R148 N149 R153 I154 L155 | Y147-H151 VanDerWaalsContact O-CB 3.31Å; Y147-H151 WeakPolarHBondContact O-CB 3.29Å; Y147-H151 PolarHBondContact O-N 3.18Å; R148-H151 PolarHBondContact O-N 2.98Å; N149-H151 VanDerWaalsContact C-N 3.31Å; N149-H151 PolarHBondContact O-N 3.25Å; H151-R153 VanDerWaalsContact C-N 3.33Å; H151-R153 PolarHBondContact O-N 3.28Å; H151-I154 PolarHBondContact O-N 3.28Å; H151-L155 WeakPolarHBondContact O-CB 3.33Å; H151-L155 PolarHBondContact O-N 3.31Å |
| 152 | T | 97.7 | Very high | 97.8 | Very high | 71 Ų | 71 | 97.7 Ų | 97.7 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 174.7 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | R148 N149 L150 L155 L156 | R148-T152 PolarHBondContact O-N 3.4Å; R148-T152 PolarHBondContact O-OG1 3.02Å; R148-T152 VanDerWaalsContact O-OG1 3.11Å; N149-T152 PolarHBondContact O-N 3Å; L150-T152 PolarHBondContact O-N 3.43Å; T152-L155 PolarHBondContact O-N 3.06Å; T152-L156 HydrophobicContact CG2-CD1 4.4Å; T152-L156 WeakPolarHBondContact O-CG 2.93Å; T152-L156 PolarHBondContact O-N 2.98Å |
| 153 | R | 97.5 | Very high | 97.8 | Very high | 142 Ų | 142 | 99.3 Ų | 99.3 | 54% | 0.536 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.4 | -71.3 | 174.7 | 63.6 | -170.5 | 0.5 | 112.4 | N149 L150 H151 L156 G157 | N149-R153 WeakPolarHBondContact O-CG 3.37Å; N149-R153 PolarHBondContact O-N 3.32Å; N149-R153 VanDerWaalsContact OD1-CD 3.27Å; N149-R153 WeakPolarHBondContact OD1-CD 3.47Å; L150-R153 PolarHBondContact O-N 2.85Å; H151-R153 VanDerWaalsContact C-N 3.33Å; H151-R153 PolarHBondContact O-N 3.28Å; R153-L156 PolarHBondContact O-N 3.4Å; R153-G157 PolarHBondContact O-N 3.01Å |
| 154 | I | 97.9 | Very high | 97.8 | Very high | 101 Ų | 101 | 102.7 Ų | 102.7 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.7 | -69.4 | 167.9 | 0 | 0 | 0 | 110.1 | L150 H151 L156 G157 E158 | L150-I154 HydrophobicContact CD1-CD1 4.22Å; L150-I154 HydrophobicContact CD1-CG1 4.44Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 2.91Å; H151-I154 PolarHBondContact O-N 3.28Å; I154-L156 VanDerWaalsContact C-N 3.32Å; I154-L156 PolarHBondContact O-N 3.13Å; I154-G157 PolarHBondContact O-N 3Å; I154-G157 VanDerWaalsContact O-N 3.12Å; I154-E158 PolarHBondContact O-N 3.35Å |
| 155 | L | 98 | Very high | 97.9 | Very high | 81 Ų | 81 | 99.5 Ų | 99.5 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 179.2 | -172.1 | 68.5 | 0 | 0 | 0 | 112.3 | H151 T152 N159 | H151-L155 WeakPolarHBondContact O-CB 3.33Å; H151-L155 PolarHBondContact O-N 3.31Å; T152-L155 PolarHBondContact O-N 3.06Å; L155-N159 PolarHBondContact O-N 2.95Å; L155-N159 PolarHBondContact O-ND2 3.05Å |
| 156 | L | 98.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 98.5 Ų | 98.5 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 173.4 | -73.7 | 170.8 | 0 | 0 | 0 | 111.9 | T152 R153 I154 N159 L160 | T152-L156 HydrophobicContact CG2-CD1 4.4Å; T152-L156 WeakPolarHBondContact O-CG 2.93Å; T152-L156 PolarHBondContact O-N 2.98Å; R153-L156 PolarHBondContact O-N 3.4Å; I154-L156 VanDerWaalsContact C-N 3.32Å; I154-L156 PolarHBondContact O-N 3.13Å; L156-N159 PolarHBondContact O-N 2.97Å; L156-L160 PolarHBondContact O-N 3.44Å |
| 157 | G | 98.2 | Very high | 98 | Very high | 30 Ų | 30 | 100.7 Ų | 100.7 | 31% | 0.309 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R153 I154 N159 L160 I161 | R153-G157 PolarHBondContact O-N 3.01Å; I154-G157 PolarHBondContact O-N 3Å; I154-G157 VanDerWaalsContact O-N 3.12Å; G157-N159 VanDerWaalsContact C-N 3.34Å; G157-N159 PolarHBondContact O-N 3.21Å; G157-L160 WeakPolarHBondContact O-CB 3.38Å; G157-L160 PolarHBondContact O-N 3.27Å; G157-I161 WeakPolarHBondContact O-CG1 3.4Å; G157-I161 PolarHBondContact O-N 3.21Å |
| 158 | E | 97.9 | Very high | 98 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 175.6 | -171.3 | -170.6 | 157.3 | 0 | 0 | 111.4 | I154 L160 I161 K162 | I154-E158 PolarHBondContact O-N 3.35Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.46Å; E158-I161 PolarHBondContact O-N 3Å; E158-K162 WeakPolarHBondContact O-CG 3.48Å; E158-K162 PolarHBondContact O-N 2.98Å; E158-K162 WeakPolarHBondContact OE1-CE 3.35Å; E158-K162 IonicContact OE1-NZ 3.83Å; E158-K162 PolarHBondContact OE1-NZ 3.38Å |
| 159 | N | 97.7 | Very high | 98 | Very high | 72 Ų | 72 | 96.7 Ų | 96.7 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.9 | -75 | -38.1 | 0 | 0 | 0 | 112.6 | L155 L156 G157 K163 | L155-N159 PolarHBondContact O-N 2.95Å; L155-N159 PolarHBondContact O-ND2 3.05Å; L156-N159 PolarHBondContact O-N 2.97Å; G157-N159 VanDerWaalsContact C-N 3.34Å; G157-N159 PolarHBondContact O-N 3.21Å; N159-K163 WeakPolarHBondContact O-CG 3.39Å; N159-K163 PolarHBondContact O-N 2.95Å; N159-K163 VanDerWaalsContact O-N 3.11Å |
| 160 | L | 97.9 | Very high | 98.1 | Very high | 104 Ų | 104 | 96.5 Ų | 96.5 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 175.1 | -176.7 | 66.8 | 0 | 0 | 0 | 111.4 | L156 G157 E158 K162 K163 K164 | L156-L160 PolarHBondContact O-N 3.44Å; G157-L160 WeakPolarHBondContact O-CB 3.38Å; G157-L160 PolarHBondContact O-N 3.27Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.46Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 2.96Å; L160-K163 PolarHBondContact O-N 2.91Å; L160-K164 PolarHBondContact O-N 3.41Å |
| 161 | I | 98.2 | Very high | 98.1 | Very high | 117 Ų | 117 | 98 Ų | 98 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 177.5 | -67.3 | 166.3 | 0 | 0 | 0 | 110.5 | G157 E158 K163 K164 L165 | G157-I161 WeakPolarHBondContact O-CG1 3.4Å; G157-I161 PolarHBondContact O-N 3.21Å; E158-I161 PolarHBondContact O-N 3Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.49Å; I161-K164 PolarHBondContact O-N 3.4Å; I161-L165 WeakPolarHBondContact O-CB 3.32Å; I161-L165 PolarHBondContact O-N 2.97Å |
| 162 | K | 98.2 | Very high | 98.1 | Very high | 110 Ų | 110 | 95.6 Ų | 95.6 | 48% | 0.478 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 175.4 | -75.6 | 176.8 | -176.7 | 168.8 | 0 | 112.5 | E158 L160 L165 A166 | E158-K162 WeakPolarHBondContact O-CG 3.48Å; E158-K162 PolarHBondContact O-N 2.98Å; E158-K162 WeakPolarHBondContact OE1-CE 3.35Å; E158-K162 IonicContact OE1-NZ 3.83Å; E158-K162 PolarHBondContact OE1-NZ 3.38Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 2.96Å; K162-L165 PolarHBondContact O-N 3.28Å; K162-A166 PolarHBondContact O-N 3.47Å |
| 163 | K | 98.1 | Very high | 98.1 | Very high | 148 Ų | 148 | 98.6 Ų | 98.6 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -47.2 | 175.2 | -73.5 | -179.9 | 179.3 | -174.6 | 0 | 111.8 | N159 L160 I161 L165 A166 I167 | N159-K163 WeakPolarHBondContact O-CG 3.39Å; N159-K163 PolarHBondContact O-N 2.95Å; N159-K163 VanDerWaalsContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 2.91Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.49Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3.31Å; K163-A166 PolarHBondContact O-N 2.97Å; K163-I167 WeakPolarHBondContact O-CG1 3.39Å; K163-I167 PolarHBondContact O-N 3.2Å; K163-I167 VanDerWaalsContact O-N 3.12Å |
| 164 | K | 98.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 96.8 Ų | 96.8 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 176.2 | -72 | -168 | 172.1 | -159.4 | 0 | 111.8 | L160 I161 A166 I167 L168 | L160-K164 PolarHBondContact O-N 3.41Å; I161-K164 PolarHBondContact O-N 3.4Å; K164-A166 VanDerWaalsContact C-N 3.33Å; K164-A166 PolarHBondContact O-N 2.9Å; K164-I167 PolarHBondContact O-N 3.3Å; K164-L168 WeakPolarHBondContact O-CG 3.42Å; K164-L168 PolarHBondContact O-N 3.4Å |
| 165 | L | 98.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 97.5 Ų | 97.5 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 176.3 | -178 | 64.6 | 0 | 0 | 0 | 111.9 | I161 K162 K163 I167 L168 Q169 | I161-L165 WeakPolarHBondContact O-CB 3.32Å; I161-L165 PolarHBondContact O-N 2.97Å; K162-L165 PolarHBondContact O-N 3.28Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3.31Å; L165-I167 VanDerWaalsContact C-N 3.34Å; L165-L168 PolarHBondContact O-N 3.09Å; L165-Q169 WeakPolarHBondContact O-CB 3.46Å; L165-Q169 VanDerWaalsContact O-CG 3.28Å; L165-Q169 WeakPolarHBondContact O-CG 3.46Å; L165-Q169 PolarHBondContact O-N 2.87Å |
| 166 | A | 98.3 | Very high | 98.1 | Very high | 55 Ų | 55 | 100.1 Ų | 100.1 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K162 K163 K164 Q170 | K162-A166 PolarHBondContact O-N 3.47Å; K163-A166 PolarHBondContact O-N 2.97Å; K164-A166 VanDerWaalsContact C-N 3.33Å; K164-A166 PolarHBondContact O-N 2.9Å; A166-Q170 PolarHBondContact O-N 2.99Å; A166-Q170 VanDerWaalsContact O-N 3.15Å |
| 167 | I | 98.2 | Very high | 98.1 | Very high | 95 Ų | 95 | 97 Ų | 97 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -51.5 | 174.9 | -64.8 | 165.8 | 0 | 0 | 0 | 110.2 | K163 K164 L165 Q169 Q170 E171 | K163-I167 WeakPolarHBondContact O-CG1 3.39Å; K163-I167 PolarHBondContact O-N 3.2Å; K163-I167 VanDerWaalsContact O-N 3.12Å; K164-I167 PolarHBondContact O-N 3.3Å; L165-I167 VanDerWaalsContact C-N 3.34Å; I167-Q169 VanDerWaalsContact C-N 3.27Å; I167-Q169 PolarHBondContact O-N 3.27Å; I167-Q170 WeakPolarHBondContact O-CA 3.33Å; I167-Q170 WeakPolarHBondContact O-CB 3.23Å; I167-Q170 PolarHBondContact O-N 2.99Å; I167-E171 HydrophobicContact CG2-CG 4.43Å; I167-E171 WeakPolarHBondContact CG2-OE1 3.44Å; I167-E171 PolarHBondContact O-N 3.49Å |
| 168 | L | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 100 Ų | 100 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 178.3 | -71.2 | 171.7 | 0 | 0 | 0 | 112.7 | K164 L165 Q170 S172 | K164-L168 WeakPolarHBondContact O-CG 3.42Å; K164-L168 PolarHBondContact O-N 3.4Å; L165-L168 PolarHBondContact O-N 3.09Å; L168-Q170 VanDerWaalsContact C-N 3.29Å; L168-Q170 PolarHBondContact O-N 3.48Å; L168-S172 VanDerWaalsContact O-CB 3.29Å; L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 2.98Å |
| 169 | Q | 98.3 | Very high | 98.1 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -32.9 | 174.2 | -79.1 | 179.9 | -13.3 | 0 | 0 | 112.6 | L165 I167 K173 | L165-Q169 WeakPolarHBondContact O-CB 3.46Å; L165-Q169 VanDerWaalsContact O-CG 3.28Å; L165-Q169 WeakPolarHBondContact O-CG 3.46Å; L165-Q169 PolarHBondContact O-N 2.87Å; I167-Q169 VanDerWaalsContact C-N 3.27Å; I167-Q169 PolarHBondContact O-N 3.27Å; Q169-K173 WeakPolarHBondContact O-CG 3.41Å; Q169-K173 PolarHBondContact O-N 3.46Å |
| 170 | Q | 98.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 102.3 Ų | 102.3 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.8 | -48.2 | 176.8 | -179.1 | 56.7 | 29.4 | 0 | 0 | 110.9 | A166 I167 L168 S172 K173 E174 | A166-Q170 PolarHBondContact O-N 2.99Å; A166-Q170 VanDerWaalsContact O-N 3.15Å; I167-Q170 WeakPolarHBondContact O-CA 3.33Å; I167-Q170 WeakPolarHBondContact O-CB 3.23Å; I167-Q170 PolarHBondContact O-N 2.99Å; L168-Q170 VanDerWaalsContact C-N 3.29Å; L168-Q170 PolarHBondContact O-N 3.48Å; Q170-S172 VanDerWaalsContact C-N 3.27Å; Q170-S172 PolarHBondContact O-N 3.44Å; Q170-K173 WeakPolarHBondContact O-CB 3.38Å; Q170-K173 PolarHBondContact O-N 3.43Å; Q170-E174 PolarHBondContact NE2-OE1 3.46Å; Q170-E174 PolarHBondContact O-N 3.44Å; Q170-E174 VanDerWaalsContact O-N 3.08Å |
| 171 | E | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 174.9 | -68.9 | 171.2 | 177.6 | 0 | 0 | 111.4 | I167 K173 E174 I175 | I167-E171 HydrophobicContact CG2-CG 4.43Å; I167-E171 WeakPolarHBondContact CG2-OE1 3.44Å; I167-E171 PolarHBondContact O-N 3.49Å; E171-K173 VanDerWaalsContact C-N 3.28Å; E171-K173 PolarHBondContact O-N 3.28Å; E171-E174 PolarHBondContact O-N 3.37Å; E171-I175 WeakPolarHBondContact O-CG1 3.47Å; E171-I175 PolarHBondContact O-N 2.73Å |
| 172 | S | 97.4 | Very high | 98 | Very high | 75 Ų | 75 | 100.3 Ų | 100.3 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -33.3 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 113.3 | L168 Q170 H176 | L168-S172 VanDerWaalsContact O-CB 3.29Å; L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 2.98Å; Q170-S172 VanDerWaalsContact C-N 3.27Å; Q170-S172 PolarHBondContact O-N 3.44Å; S172-H176 WeakPolarHBondContact O-CB 3.46Å; S172-H176 PolarHBondContact O-N 3.18Å; S172-H176 VanDerWaalsContact O-N 3.15Å |
| 173 | K | 98.2 | Very high | 97.9 | Very high | 135 Ų | 135 | 98.6 Ų | 98.6 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.7 | -39.4 | 176 | -71 | 169 | -174 | 174.1 | 0 | 111.3 | Q169 Q170 E171 H176 A177 | Q169-K173 WeakPolarHBondContact O-CG 3.41Å; Q169-K173 PolarHBondContact O-N 3.46Å; Q170-K173 WeakPolarHBondContact O-CB 3.38Å; Q170-K173 PolarHBondContact O-N 3.43Å; E171-K173 VanDerWaalsContact C-N 3.28Å; E171-K173 PolarHBondContact O-N 3.28Å; K173-H176 PolarHBondContact O-N 3.21Å; K173-A177 PolarHBondContact O-N 3.32Å |
| 174 | E | 97.7 | Very high | 97.9 | Very high | 103 Ų | 103 | 97 Ų | 97 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 176.6 | -71.7 | 169.2 | -164.1 | 0 | 0 | 110.6 | Q170 E171 H176 A177 D178 | Q170-E174 PolarHBondContact NE2-OE1 3.46Å; Q170-E174 PolarHBondContact O-N 3.44Å; Q170-E174 VanDerWaalsContact O-N 3.08Å; E171-E174 PolarHBondContact O-N 3.37Å; E174-H176 VanDerWaalsContact C-N 3.27Å; E174-H176 PolarHBondContact O-N 3.27Å; E174-A177 WeakPolarHBondContact O-CB 3.41Å; E174-A177 PolarHBondContact O-N 3.48Å; E174-D178 PolarHBondContact O-N 2.9Å |
| 175 | I | 97.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 98.9 Ų | 98.9 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.5 | -40.7 | 174.1 | -67.2 | 166.1 | 0 | 0 | 0 | 111.3 | E171 A177 D178 W179 | E171-I175 WeakPolarHBondContact O-CG1 3.47Å; E171-I175 PolarHBondContact O-N 2.73Å; I175-A177 VanDerWaalsContact C-N 3.35Å; I175-D178 PolarHBondContact O-N 3.46Å; I175-W179 WeakPolarHBondContact O-CB 3.45Å; I175-W179 PolarHBondContact O-N 3.3Å |
| 176 | H | 98.1 | Very high | 97.5 | Very high | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.625 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.9 | -36.5 | 177.6 | -169.1 | 67.5 | 0 | 0 | 0 | 112.5 | S172 K173 E174 A180 | S172-H176 WeakPolarHBondContact O-CB 3.46Å; S172-H176 PolarHBondContact O-N 3.18Å; S172-H176 VanDerWaalsContact O-N 3.15Å; K173-H176 PolarHBondContact O-N 3.21Å; E174-H176 VanDerWaalsContact C-N 3.27Å; E174-H176 PolarHBondContact O-N 3.27Å; H176-A180 PolarHBondContact O-N 3.26Å; H176-A180 VanDerWaalsContact O-N 3.09Å |
| 177 | A | 97.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 100 Ų | 100 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K173 E174 I175 W179 A180 I181 | K173-A177 PolarHBondContact O-N 3.32Å; E174-A177 WeakPolarHBondContact O-CB 3.41Å; E174-A177 PolarHBondContact O-N 3.48Å; I175-A177 VanDerWaalsContact C-N 3.35Å; A177-W179 VanDerWaalsContact C-N 3.32Å; A177-W179 PolarHBondContact O-N 2.97Å; A177-A180 WeakPolarHBondContact O-CB 3.29Å; A177-A180 PolarHBondContact O-N 3.37Å; A177-A180 VanDerWaalsContact O-N 3.16Å; A177-I181 WeakPolarHBondContact O-CG1 3.42Å; A177-I181 PolarHBondContact O-N 2.79Å |
| 178 | D | 97.9 | Very high | 97.1 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 176.2 | -71.9 | -15.6 | 0 | 0 | 0 | 111.5 | E174 I175 A180 I181 I182 | E174-D178 PolarHBondContact O-N 2.9Å; I175-D178 PolarHBondContact O-N 3.46Å; D178-A180 VanDerWaalsContact C-N 3.33Å; D178-A180 PolarHBondContact O-N 2.86Å; D178-I181 PolarHBondContact O-N 2.67Å; D178-I182 WeakPolarHBondContact O-CG1 3.25Å; D178-I182 PolarHBondContact O-N 3.01Å |
| 179 | W | 97.6 | Very high | 96.8 | Very high | 148 Ų | 148 | 101 Ų | 101 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.9 | -44 | 174 | 176.7 | -101.6 | 0 | 0 | 0 | 112.2 | I175 A177 I181 I182 Q183 | I175-W179 WeakPolarHBondContact O-CB 3.45Å; I175-W179 PolarHBondContact O-N 3.3Å; A177-W179 VanDerWaalsContact C-N 3.32Å; A177-W179 PolarHBondContact O-N 2.97Å; W179-I181 VanDerWaalsContact C-N 3.33Å; W179-I181 PolarHBondContact O-N 3.5Å; W179-I182 PolarHBondContact O-N 3.18Å; W179-Q183 HydrophobicContact CD2-CG 4.37Å; W179-Q183 HydrophobicContact CZ2-CG 4.24Å; W179-Q183 VanDerWaalsContact O-CG 3.31Å; W179-Q183 WeakPolarHBondContact O-CG 3.48Å; W179-Q183 PolarHBondContact O-N 3.2Å |
| 180 | A | 97.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H176 A177 D178 Q183 Q184 | H176-A180 PolarHBondContact O-N 3.26Å; H176-A180 VanDerWaalsContact O-N 3.09Å; A177-A180 WeakPolarHBondContact O-CB 3.29Å; A177-A180 PolarHBondContact O-N 3.37Å; A177-A180 VanDerWaalsContact O-N 3.16Å; D178-A180 VanDerWaalsContact C-N 3.33Å; D178-A180 PolarHBondContact O-N 2.86Å; A180-Q183 PolarHBondContact O-N 3.37Å; A180-Q184 PolarHBondContact O-N 3.49Å |
| 181 | I | 97.3 | Very high | 95.8 | Very high | 80 Ų | 80 | 100.4 Ų | 100.4 | 41% | 0.41 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 175.6 | -65 | 165.7 | 0 | 0 | 0 | 110.9 | A177 D178 W179 Q183 Q184 R185 | A177-I181 WeakPolarHBondContact O-CG1 3.42Å; A177-I181 PolarHBondContact O-N 2.79Å; D178-I181 PolarHBondContact O-N 2.67Å; W179-I181 VanDerWaalsContact C-N 3.33Å; W179-I181 PolarHBondContact O-N 3.5Å; I181-Q183 VanDerWaalsContact C-N 3.32Å; I181-Q183 PolarHBondContact O-N 3.48Å; I181-Q184 PolarHBondContact O-N 3.43Å; I181-R185 WeakPolarHBondContact O-CG 3.36Å; I181-R185 PolarHBondContact O-N 2.97Å |
| 182 | I | 97.2 | Very high | 94.9 | Very high | 99 Ų | 99 | 98.7 Ų | 98.7 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 177.6 | -68.2 | 166 | 0 | 0 | 0 | 110.4 | D178 W179 R185 L186 | D178-I182 WeakPolarHBondContact O-CG1 3.25Å; D178-I182 PolarHBondContact O-N 3.01Å; W179-I182 PolarHBondContact O-N 3.18Å; I182-R185 PolarHBondContact O-N 3.11Å; I182-L186 WeakPolarHBondContact O-CB 3.41Å; I182-L186 PolarHBondContact O-N 3.41Å |
| 183 | Q | 97.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 96.9 Ų | 96.9 | 34% | 0.341 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176 | -73.8 | -66.7 | -24.8 | 0 | 0 | 112 | W179 A180 I181 L186 V187 | W179-Q183 HydrophobicContact CD2-CG 4.37Å; W179-Q183 HydrophobicContact CZ2-CG 4.24Å; W179-Q183 VanDerWaalsContact O-CG 3.31Å; W179-Q183 WeakPolarHBondContact O-CG 3.48Å; W179-Q183 PolarHBondContact O-N 3.2Å; A180-Q183 PolarHBondContact O-N 3.37Å; I181-Q183 VanDerWaalsContact C-N 3.32Å; I181-Q183 PolarHBondContact O-N 3.48Å; Q183-L186 WeakPolarHBondContact O-CB 3.23Å; Q183-L186 PolarHBondContact O-N 3.38Å; Q183-V187 WeakPolarHBondContact O-CG2 3.16Å; Q183-V187 PolarHBondContact O-N 3.2Å |
| 184 | Q | 96.5 | Very high | 92.6 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.4 | -177.7 | -178.1 | -13 | 0 | 0 | 111.4 | A180 I181 L186 V187 E188 | A180-Q184 PolarHBondContact O-N 3.49Å; I181-Q184 PolarHBondContact O-N 3.43Å; Q184-L186 VanDerWaalsContact C-N 3.29Å; Q184-L186 PolarHBondContact O-N 2.91Å; Q184-V187 PolarHBondContact O-N 3.42Å; Q184-V187 VanDerWaalsContact O-N 3.13Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.42Å; Q184-E188 PolarHBondContact NE2-OE1 3.23Å; Q184-E188 WeakPolarHBondContact O-CG 3.49Å; Q184-E188 PolarHBondContact O-N 2.81Å |
| 185 | R | 95.1 | Very high | 91.4 | Very high | 165 Ų | 165 | 96.2 Ų | 96.2 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | 177.7 | -71.8 | -179.6 | -179.5 | -142.9 | 1.2 | 112.3 | I181 I182 V187 E188 L189 | I181-R185 WeakPolarHBondContact O-CG 3.36Å; I181-R185 PolarHBondContact O-N 2.97Å; I182-R185 PolarHBondContact O-N 3.11Å; R185-V187 VanDerWaalsContact C-N 3.32Å; R185-V187 PolarHBondContact O-N 3.36Å; R185-E188 PolarHBondContact O-N 3Å; R185-L189 WeakPolarHBondContact O-CB 3.03Å; R185-L189 VanDerWaalsContact O-CG 3.31Å; R185-L189 WeakPolarHBondContact O-CG 3.49Å; R185-L189 PolarHBondContact O-N 3.34Å |
| 186 | L | 95.1 | Very high | 90.1 | Very high | 86 Ų | 86 | 95.5 Ų | 95.5 | 45% | 0.45 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 175.8 | -175.7 | 66.9 | 0 | 0 | 0 | 111.1 | I182 Q183 Q184 N190 | I182-L186 WeakPolarHBondContact O-CB 3.41Å; I182-L186 PolarHBondContact O-N 3.41Å; Q183-L186 WeakPolarHBondContact O-CB 3.23Å; Q183-L186 PolarHBondContact O-N 3.38Å; Q184-L186 VanDerWaalsContact C-N 3.29Å; Q184-L186 PolarHBondContact O-N 2.91Å; L186-N190 WeakPolarHBondContact O-CB 3.34Å; L186-N190 VanDerWaalsContact O-CG 3.32Å; L186-N190 PolarHBondContact O-N 3.25Å; L186-N190 PolarHBondContact O-ND2 3.4Å |
| 187 | V | 94.1 | Very high | 89 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | Q183 Q184 R185 L189 N190 L191 | Q183-V187 WeakPolarHBondContact O-CG2 3.16Å; Q183-V187 PolarHBondContact O-N 3.2Å; Q184-V187 PolarHBondContact O-N 3.42Å; Q184-V187 VanDerWaalsContact O-N 3.13Å; R185-V187 VanDerWaalsContact C-N 3.32Å; R185-V187 PolarHBondContact O-N 3.36Å; V187-L189 PolarHBondContact O-N 3.07Å; V187-N190 PolarHBondContact O-N 3Å; V187-L191 HydrophobicContact CG1-CD1 4.13Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 3.24Å |
| 188 | E | 93.1 | Very high | 87.7 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 177.1 | -72.1 | 169.9 | -173.3 | 0 | 0 | 111.9 | Q184 R185 L191 S192 | Q184-E188 WeakPolarHBondContact CG-OE1 3.42Å; Q184-E188 PolarHBondContact NE2-OE1 3.23Å; Q184-E188 WeakPolarHBondContact O-CG 3.49Å; Q184-E188 PolarHBondContact O-N 2.81Å; R185-E188 PolarHBondContact O-N 3Å; E188-L191 PolarHBondContact O-N 2.98Å; E188-S192 PolarHBondContact O-N 3.22Å; E188-S192 PolarHBondContact O-OG 3.37Å |
| 189 | L | 91.4 | Very high | 86.4 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 175.7 | -73.7 | 172.7 | 0 | 0 | 0 | 112.7 | R185 V187 L191 S192 G193 | R185-L189 WeakPolarHBondContact O-CB 3.03Å; R185-L189 VanDerWaalsContact O-CG 3.31Å; R185-L189 WeakPolarHBondContact O-CG 3.49Å; R185-L189 PolarHBondContact O-N 3.34Å; V187-L189 PolarHBondContact O-N 3.07Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 2.73Å; L189-S192 PolarHBondContact O-OG 2.83Å; L189-G193 PolarHBondContact O-N 3.48Å |
| 190 | N | 89.3 | Confident | 85 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -28.3 | 175.7 | -78.6 | -53.2 | 0 | 0 | 0 | 112.6 | L186 V187 K194 | L186-N190 WeakPolarHBondContact O-CB 3.34Å; L186-N190 VanDerWaalsContact O-CG 3.32Å; L186-N190 PolarHBondContact O-N 3.25Å; L186-N190 PolarHBondContact O-ND2 3.4Å; V187-N190 PolarHBondContact O-N 3Å; N190-K194 WeakPolarHBondContact O-CG 3.31Å |
| 191 | L | 86.6 | Confident | 83.8 | Confident | 97 Ų | 97 | 97.3 Ų | 97.3 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.5 | -47.5 | 175 | -71.8 | 171.3 | 0 | 0 | 0 | 111.3 | V187 E188 L189 G193 K194 D195 | V187-L191 HydrophobicContact CG1-CD1 4.13Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 3.24Å; E188-L191 PolarHBondContact O-N 2.98Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 2.73Å; L191-G193 VanDerWaalsContact C-N 3.27Å; L191-G193 PolarHBondContact O-N 3.42Å; L191-K194 WeakPolarHBondContact O-CB 3.48Å; L191-K194 PolarHBondContact O-N 3.35Å; L191-D195 PolarHBondContact O-N 3.39Å; L191-D195 VanDerWaalsContact O-N 3.09Å |
| 192 | S | 79.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 98 Ų | 98 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 177.1 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | E188 L189 K194 D195 E196 | E188-S192 PolarHBondContact O-N 3.22Å; E188-S192 PolarHBondContact O-OG 3.37Å; L189-S192 PolarHBondContact O-OG 2.83Å; S192-K194 VanDerWaalsContact C-N 3.29Å; S192-K194 PolarHBondContact O-N 2.82Å; S192-D195 PolarHBondContact O-N 2.96Å; S192-E196 WeakPolarHBondContact O-CG 3.05Å; S192-E196 PolarHBondContact O-N 2.85Å |
| 193 | G | 74.6 | Confident | 81.4 | Confident | 37 Ų | 37 | 98.5 Ų | 98.5 | 38% | 0.381 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -34.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L189 L191 Q197 | L189-G193 PolarHBondContact O-N 3.48Å; L191-G193 VanDerWaalsContact C-N 3.27Å; L191-G193 PolarHBondContact O-N 3.42Å; G193-Q197 VanDerWaalsContact O-CB 3.26Å; G193-Q197 WeakPolarHBondContact O-CB 3.22Å; G193-Q197 PolarHBondContact O-N 3.05Å |
| 194 | K | 73.5 | Confident | 80.4 | Confident | 135 Ų | 135 | 100.8 Ų | 100.8 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.2 | -41.7 | 174.5 | -71.9 | 172.3 | -177.3 | 177.3 | 0 | 111.7 | N190 L191 S192 E196 Q197 E198 | N190-K194 WeakPolarHBondContact O-CG 3.31Å; L191-K194 WeakPolarHBondContact O-CB 3.48Å; L191-K194 PolarHBondContact O-N 3.35Å; S192-K194 VanDerWaalsContact C-N 3.29Å; S192-K194 PolarHBondContact O-N 2.82Å; K194-E196 VanDerWaalsContact C-N 3.34Å; K194-E196 PolarHBondContact O-N 2.77Å; K194-Q197 PolarHBondContact O-N 3.47Å; K194-E198 WeakPolarHBondContact O-CB 3.28Å; K194-E198 PolarHBondContact O-N 3.25Å |
| 195 | D | 71.4 | Confident | 79.4 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.9 | -66.8 | -12.9 | 0 | 0 | 0 | 111.3 | L191 S192 E198 K199 | L191-D195 PolarHBondContact O-N 3.39Å; L191-D195 VanDerWaalsContact O-N 3.09Å; S192-D195 PolarHBondContact O-N 2.96Å; D195-E198 PolarHBondContact O-N 3.13Å; D195-K199 WeakPolarHBondContact O-CB 3.34Å; D195-K199 VanDerWaalsContact O-CG 3.22Å; D195-K199 WeakPolarHBondContact O-CG 3.49Å; D195-K199 PolarHBondContact O-N 3.15Å |
| 196 | E | 71.8 | Confident | 78.6 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -36.8 | 175.3 | -66.4 | -53.3 | 133.5 | 0 | 0 | 112.1 | S192 K194 K199 T200 | S192-E196 WeakPolarHBondContact O-CG 3.05Å; S192-E196 PolarHBondContact O-N 2.85Å; K194-E196 VanDerWaalsContact C-N 3.34Å; K194-E196 PolarHBondContact O-N 2.77Å; E196-K199 PolarHBondContact O-N 3.34Å; E196-K199 IonicContact OE1-NZ 2.74Å; E196-K199 PolarHBondContact OE1-NZ 2.96Å; E196-T200 WeakPolarHBondContact O-CB 3.37Å; E196-T200 WeakPolarHBondContact O-CG2 3.48Å; E196-T200 PolarHBondContact O-N 3.29Å; E196-T200 PolarHBondContact O-OG1 3.44Å |
| 197 | Q | 73.9 | Confident | 77.8 | Confident | 139 Ų | 139 | 97.9 Ų | 97.9 | 65% | 0.65 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -37.2 | 174.2 | -172.2 | 162.5 | 10.3 | 0 | 0 | 112.4 | G193 K194 T200 S201 | G193-Q197 VanDerWaalsContact O-CB 3.26Å; G193-Q197 WeakPolarHBondContact O-CB 3.22Å; G193-Q197 PolarHBondContact O-N 3.05Å; K194-Q197 PolarHBondContact O-N 3.47Å; Q197-T200 WeakPolarHBondContact CA-OG1 3.4Å; Q197-T200 PolarHBondContact O-OG1 3.41Å; Q197-S201 WeakPolarHBondContact O-CB 3.34Å; Q197-S201 PolarHBondContact O-N 2.99Å |
| 198 | E | 70.9 | Confident | 77.1 | Confident | 122 Ų | 122 | 98.4 Ų | 98.4 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69 | -42.6 | 174.8 | -173.5 | 175 | 174.2 | 0 | 0 | 111.3 | K194 D195 S201 N202 | K194-E198 WeakPolarHBondContact O-CB 3.28Å; K194-E198 PolarHBondContact O-N 3.25Å; D195-E198 PolarHBondContact O-N 3.13Å; E198-S201 PolarHBondContact O-N 2.96Å; E198-N202 WeakPolarHBondContact O-CB 3.37Å; E198-N202 VanDerWaalsContact O-CG 3.23Å; E198-N202 PolarHBondContact O-N 2.65Å; E198-N202 PolarHBondContact O-ND2 3.03Å |
| 199 | K | 70.8 | Confident | 76.6 | Confident | 108 Ų | 108 | 100.5 Ų | 100.5 | 47% | 0.47 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175 | -73.4 | 171.3 | -163.3 | 168.3 | 0 | 112.4 | D195 E196 N202 L203 | D195-K199 WeakPolarHBondContact O-CB 3.34Å; D195-K199 VanDerWaalsContact O-CG 3.22Å; D195-K199 WeakPolarHBondContact O-CG 3.49Å; D195-K199 PolarHBondContact O-N 3.15Å; E196-K199 PolarHBondContact O-N 3.34Å; E196-K199 IonicContact OE1-NZ 2.74Å; E196-K199 PolarHBondContact OE1-NZ 2.96Å; K199-N202 PolarHBondContact O-N 3Å; K199-L203 WeakPolarHBondContact O-CB 3.38Å; K199-L203 WeakPolarHBondContact O-CG 3.31Å; K199-L203 PolarHBondContact O-N 3.29Å |
| 200 | T | 69.4 | Low | 76.1 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 178.4 | 46.9 | 0 | 0 | 0 | 0 | 111.5 | E196 Q197 N202 L203 E204 | E196-T200 WeakPolarHBondContact O-CB 3.37Å; E196-T200 WeakPolarHBondContact O-CG2 3.48Å; E196-T200 PolarHBondContact O-N 3.29Å; E196-T200 PolarHBondContact O-OG1 3.44Å; Q197-T200 WeakPolarHBondContact CA-OG1 3.4Å; Q197-T200 PolarHBondContact O-OG1 3.41Å; T200-N202 VanDerWaalsContact C-N 3.34Å; T200-N202 PolarHBondContact O-N 3.49Å; T200-L203 PolarHBondContact O-N 3.2Å; T200-E204 WeakPolarHBondContact O-CB 3.34Å; T200-E204 PolarHBondContact O-N 2.83Å |
| 201 | S | 71.1 | Confident | 75.6 | Confident | 70 Ų | 70 | 98 Ų | 98 | 49% | 0.49 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 174.2 | -176 | 0 | 0 | 0 | 0 | 112.8 | Q197 E198 A205 | Q197-S201 WeakPolarHBondContact O-CB 3.34Å; Q197-S201 PolarHBondContact O-N 2.99Å; E198-S201 PolarHBondContact O-N 2.96Å; S201-A205 WeakPolarHBondContact O-CB 3.41Å; S201-A205 PolarHBondContact O-N 2.96Å |
| 202 | N | 73.5 | Confident | 75.4 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 177.4 | -76 | -29.8 | 0 | 0 | 0 | 112 | E198 K199 T200 A205 Q206 | E198-N202 WeakPolarHBondContact O-CB 3.37Å; E198-N202 VanDerWaalsContact O-CG 3.23Å; E198-N202 PolarHBondContact O-N 2.65Å; E198-N202 PolarHBondContact O-ND2 3.03Å; K199-N202 PolarHBondContact O-N 3Å; T200-N202 VanDerWaalsContact C-N 3.34Å; T200-N202 PolarHBondContact O-N 3.49Å; N202-A205 PolarHBondContact O-N 2.72Å; N202-Q206 WeakPolarHBondContact O-CB 3.39Å; N202-Q206 PolarHBondContact O-N 3.2Å |
| 203 | L | 71.3 | Confident | 75.5 | Confident | 108 Ų | 108 | 98.2 Ų | 98.2 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 174.9 | -75.2 | 171.7 | 0 | 0 | 0 | 111.4 | K199 T200 A205 Q206 E207 | K199-L203 WeakPolarHBondContact O-CB 3.38Å; K199-L203 WeakPolarHBondContact O-CG 3.31Å; K199-L203 PolarHBondContact O-N 3.29Å; T200-L203 PolarHBondContact O-N 3.2Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 3.02Å; L203-Q206 PolarHBondContact O-N 3.35Å; L203-E207 WeakPolarHBondContact O-CB 3.3Å; L203-E207 PolarHBondContact O-N 2.69Å |
| 204 | E | 75.2 | Confident | 75.9 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 176.1 | -171 | 178.4 | -176.5 | 0 | 0 | 111.3 | T200 Q206 E207 N208 | T200-E204 WeakPolarHBondContact O-CB 3.34Å; T200-E204 PolarHBondContact O-N 2.83Å; E204-Q206 PolarHBondContact O-N 3Å; E204-E207 PolarHBondContact O-N 2.71Å; E204-N208 VanDerWaalsContact O-CB 3.3Å; E204-N208 WeakPolarHBondContact O-CB 3.49Å; E204-N208 PolarHBondContact O-N 3.45Å; E204-N208 PolarHBondContact O-ND2 3.25Å |
| 205 | A | 77 | Confident | 76.3 | Confident | 52 Ų | 52 | 100.6 Ų | 100.6 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S201 N202 L203 Q209 | S201-A205 WeakPolarHBondContact O-CB 3.41Å; S201-A205 PolarHBondContact O-N 2.96Å; N202-A205 PolarHBondContact O-N 2.72Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 3.02Å; A205-Q209 PolarHBondContact O-N 3Å |
| 206 | Q | 77.3 | Confident | 76.7 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 175.9 | -172.7 | 179.2 | 38 | 0 | 0 | 111.5 | N202 L203 E204 N208 Q209 V210 | N202-Q206 WeakPolarHBondContact O-CB 3.39Å; N202-Q206 PolarHBondContact O-N 3.2Å; L203-Q206 PolarHBondContact O-N 3.35Å; E204-Q206 PolarHBondContact O-N 3Å; Q206-N208 VanDerWaalsContact C-N 3.33Å; Q206-N208 PolarHBondContact O-N 3.42Å; Q206-Q209 PolarHBondContact O-N 2.98Å; Q206-V210 VanDerWaalsContact O-CG2 3.3Å; Q206-V210 WeakPolarHBondContact O-CG2 3.42Å; Q206-V210 PolarHBondContact O-N 3.35Å |
| 207 | E | 78.8 | Confident | 77.1 | Confident | 133 Ų | 133 | 103.1 Ų | 103.1 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 177.4 | -173 | 175.6 | -176.5 | 0 | 0 | 111.4 | L203 E204 V210 S211 | L203-E207 WeakPolarHBondContact O-CB 3.3Å; L203-E207 PolarHBondContact O-N 2.69Å; E204-E207 PolarHBondContact O-N 2.71Å; E207-V210 PolarHBondContact O-N 3.14Å; E207-S211 VanDerWaalsContact O-CB 3.26Å; E207-S211 WeakPolarHBondContact O-CB 3.3Å; E207-S211 PolarHBondContact O-N 3.44Å; E207-S211 PolarHBondContact O-OG 2.96Å |
| 208 | N | 78.5 | Confident | 77.2 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.2 | -73.8 | -32.4 | 0 | 0 | 0 | 111.9 | E204 Q206 S211 E212 | E204-N208 VanDerWaalsContact O-CB 3.3Å; E204-N208 WeakPolarHBondContact O-CB 3.49Å; E204-N208 PolarHBondContact O-N 3.45Å; E204-N208 PolarHBondContact O-ND2 3.25Å; Q206-N208 VanDerWaalsContact C-N 3.33Å; Q206-N208 PolarHBondContact O-N 3.42Å; N208-S211 PolarHBondContact O-N 3.38Å; N208-E212 WeakPolarHBondContact O-CB 3.47Å; N208-E212 PolarHBondContact O-N 3.1Å |
| 209 | Q | 82.4 | Confident | 77.4 | Confident | 143 Ų | 143 | 97.9 Ų | 97.9 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 174.2 | -89.6 | -174.8 | 7.6 | 0 | 0 | 112.7 | A205 Q206 S211 E212 A213 | A205-Q209 PolarHBondContact O-N 3Å; Q206-Q209 PolarHBondContact O-N 2.98Å; Q209-S211 VanDerWaalsContact C-N 3.32Å; Q209-E212 PolarHBondContact O-N 3.33Å; Q209-A213 WeakPolarHBondContact O-CB 3.47Å; Q209-A213 PolarHBondContact O-N 3.02Å |
| 210 | V | 81 | Confident | 77.3 | Confident | 93 Ų | 93 | 94.9 Ų | 94.9 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 177.9 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | Q206 E207 A213 A214 | Q206-V210 VanDerWaalsContact O-CG2 3.3Å; Q206-V210 WeakPolarHBondContact O-CG2 3.42Å; Q206-V210 PolarHBondContact O-N 3.35Å; E207-V210 PolarHBondContact O-N 3.14Å; V210-A213 PolarHBondContact O-N 3.37Å; V210-A214 VanDerWaalsContact O-CB 3.29Å; V210-A214 WeakPolarHBondContact O-CB 3.24Å; V210-A214 PolarHBondContact O-N 2.95Å |
| 211 | S | 79.6 | Confident | 77.3 | Confident | 66 Ų | 66 | 94.4 Ų | 94.4 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 112 | E207 N208 Q209 R215 | E207-S211 VanDerWaalsContact O-CB 3.26Å; E207-S211 WeakPolarHBondContact O-CB 3.3Å; E207-S211 PolarHBondContact O-N 3.44Å; E207-S211 PolarHBondContact O-OG 2.96Å; N208-S211 PolarHBondContact O-N 3.38Å; Q209-S211 VanDerWaalsContact C-N 3.32Å; S211-R215 WeakPolarHBondContact O-CB 3.49Å; S211-R215 PolarHBondContact O-N 2.88Å |
| 212 | E | 82 | Confident | 77 | Confident | 108 Ų | 108 | 93.7 Ų | 93.7 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -45 | 176.4 | -170.7 | 168.3 | -154.8 | 0 | 0 | 111.8 | N208 Q209 A214 R215 E216 | N208-E212 WeakPolarHBondContact O-CB 3.47Å; N208-E212 PolarHBondContact O-N 3.1Å; Q209-E212 PolarHBondContact O-N 3.33Å; E212-A214 PolarHBondContact O-N 2.82Å; E212-R215 WeakPolarHBondContact O-CB 3.37Å; E212-R215 PolarHBondContact O-N 3.25Å; E212-R215 VanDerWaalsContact O-N 3.15Å; E212-E216 PolarHBondContact O-N 3.01Å |
| 213 | A | 82.4 | Confident | 76.5 | Confident | 47 Ų | 47 | 95.7 Ų | 95.7 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q209 V210 R215 E216 L217 | Q209-A213 WeakPolarHBondContact O-CB 3.47Å; Q209-A213 PolarHBondContact O-N 3.02Å; V210-A213 PolarHBondContact O-N 3.37Å; A213-R215 VanDerWaalsContact C-N 3.32Å; A213-E216 PolarHBondContact O-N 2.85Å; A213-L217 PolarHBondContact O-N 3.28Å |
| 214 | A | 82.7 | Confident | 76 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V210 E212 L217 G218 | V210-A214 VanDerWaalsContact O-CB 3.29Å; V210-A214 WeakPolarHBondContact O-CB 3.24Å; V210-A214 PolarHBondContact O-N 2.95Å; E212-A214 PolarHBondContact O-N 2.82Å; A214-L217 PolarHBondContact O-N 3.45Å; A214-G218 PolarHBondContact O-N 3.16Å |
| 215 | R | 82.1 | Confident | 75.3 | Confident | 165 Ų | 165 | 95.4 Ų | 95.4 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.2 | -40.3 | 174.4 | -164.6 | -176.1 | 68.4 | 154 | -0 | 111.6 | S211 E212 A213 G218 L219 | S211-R215 WeakPolarHBondContact O-CB 3.49Å; S211-R215 PolarHBondContact O-N 2.88Å; E212-R215 WeakPolarHBondContact O-CB 3.37Å; E212-R215 PolarHBondContact O-N 3.25Å; E212-R215 VanDerWaalsContact O-N 3.15Å; A213-R215 VanDerWaalsContact C-N 3.32Å; R215-G218 PolarHBondContact O-N 2.99Å; R215-L219 WeakPolarHBondContact O-CG 3.27Å; R215-L219 PolarHBondContact O-N 3.19Å |
| 216 | E | 79.9 | Confident | 74.5 | Confident | 125 Ų | 125 | 96.2 Ų | 96.2 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 173.8 | -76.2 | -171.4 | 163.8 | 0 | 0 | 112.4 | E212 A213 G218 L219 A220 | E212-E216 PolarHBondContact O-N 3.01Å; A213-E216 PolarHBondContact O-N 2.85Å; E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.42Å; E216-L219 WeakPolarHBondContact O-CB 3.49Å; E216-L219 PolarHBondContact O-N 2.98Å; E216-L219 VanDerWaalsContact O-N 3.1Å; E216-A220 PolarHBondContact O-N 3.46Å |
| 217 | L | 78.7 | Confident | 73.5 | Confident | 120 Ų | 120 | 95.8 Ų | 95.8 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -37.6 | 174.1 | -78.4 | 172.4 | 0 | 0 | 0 | 112.1 | A213 A214 L219 A220 T221 | A213-L217 PolarHBondContact O-N 3.28Å; A214-L217 PolarHBondContact O-N 3.45Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.99Å; L217-A220 PolarHBondContact O-N 2.87Å; L217-T221 WeakPolarHBondContact O-CB 3.4Å; L217-T221 WeakPolarHBondContact O-CG2 3.34Å; L217-T221 PolarHBondContact O-N 3.35Å; L217-T221 PolarHBondContact O-OG1 3.16Å |
| 218 | G | 76 | Confident | 72.5 | Confident | 38 Ų | 38 | 94.3 Ų | 94.3 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A214 R215 E216 T221 A222 | A214-G218 PolarHBondContact O-N 3.16Å; R215-G218 PolarHBondContact O-N 2.99Å; E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.42Å; G218-T221 WeakPolarHBondContact CA-OG1 3.48Å; G218-T221 PolarHBondContact O-OG1 3.38Å; G218-A222 WeakPolarHBondContact O-CB 3.46Å; G218-A222 PolarHBondContact O-N 2.71Å; G218-A222 VanDerWaalsContact O-N 3.13Å |
| 219 | L | 75.6 | Confident | 71.4 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.4 | -40.8 | 174.4 | -69.6 | 170.6 | 0 | 0 | 0 | 111.9 | R215 E216 L217 A222 E223 | R215-L219 WeakPolarHBondContact O-CG 3.27Å; R215-L219 PolarHBondContact O-N 3.19Å; E216-L219 WeakPolarHBondContact O-CB 3.49Å; E216-L219 PolarHBondContact O-N 2.98Å; E216-L219 VanDerWaalsContact O-N 3.1Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.99Å; L219-A222 PolarHBondContact O-N 3.47Å; L219-E223 WeakPolarHBondContact O-CB 3.47Å; L219-E223 PolarHBondContact O-N 2.67Å |
| 220 | A | 68.9 | Low | 70.1 | Confident | 44 Ų | 44 | 97.1 Ų | 97.1 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | E216 L217 E223 E224 | E216-A220 PolarHBondContact O-N 3.46Å; L217-A220 PolarHBondContact O-N 2.87Å; A220-E223 PolarHBondContact O-N 2.67Å; A220-E224 PolarHBondContact O-N 3.35Å |
| 221 | T | 70.3 | Confident | 68.9 | Low | 71 Ų | 71 | 100.7 Ų | 100.7 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -36.4 | 174.5 | 44.4 | 0 | 0 | 0 | 0 | 112 | L217 G218 E223 E224 D225 | L217-T221 WeakPolarHBondContact O-CB 3.4Å; L217-T221 WeakPolarHBondContact O-CG2 3.34Å; L217-T221 PolarHBondContact O-N 3.35Å; L217-T221 PolarHBondContact O-OG1 3.16Å; G218-T221 WeakPolarHBondContact CA-OG1 3.48Å; G218-T221 PolarHBondContact O-OG1 3.38Å; T221-E223 VanDerWaalsContact C-N 3.3Å; T221-E223 PolarHBondContact O-N 3.03Å; T221-E224 PolarHBondContact O-N 2.82Å; T221-D225 VanDerWaalsContact O-CB 3.31Å; T221-D225 WeakPolarHBondContact O-CB 3.42Å; T221-D225 PolarHBondContact O-N 3.27Å |
| 222 | A | 64 | Low | 67.6 | Low | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -31.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | G218 L219 S226 | G218-A222 WeakPolarHBondContact O-CB 3.46Å; G218-A222 PolarHBondContact O-N 2.71Å; G218-A222 VanDerWaalsContact O-N 3.13Å; L219-A222 PolarHBondContact O-N 3.47Å; A222-S226 WeakPolarHBondContact O-CB 3.27Å; A222-S226 PolarHBondContact O-N 3.23Å |
| 223 | E | 63.5 | Low | 65.7 | Low | 137 Ų | 137 | 104.7 Ų | 104.7 | 64% | 0.64 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.2 | -42.8 | 174.8 | -164 | 171.5 | -167.4 | 0 | 0 | 111.5 | L219 A220 T221 S226 I227 | L219-E223 WeakPolarHBondContact O-CB 3.47Å; L219-E223 PolarHBondContact O-N 2.67Å; A220-E223 PolarHBondContact O-N 2.67Å; T221-E223 VanDerWaalsContact C-N 3.3Å; T221-E223 PolarHBondContact O-N 3.03Å; E223-S226 WeakPolarHBondContact O-CB 3.5Å; E223-S226 PolarHBondContact O-N 3.05Å; E223-I227 VanDerWaalsContact O-CG1 3.26Å; E223-I227 WeakPolarHBondContact O-CG1 3.37Å; E223-I227 PolarHBondContact O-N 3.33Å |
| 224 | E | 61.1 | Low | 63.6 | Low | 129 Ų | 129 | 108.6 Ų | 108.6 | 60% | 0.603 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -42.4 | 173.3 | -73.5 | -175.2 | 165.9 | 0 | 0 | 112.4 | A220 T221 S226 I227 L228 | A220-E224 PolarHBondContact O-N 3.35Å; T221-E224 PolarHBondContact O-N 2.82Å; E224-S226 VanDerWaalsContact C-N 3.32Å; E224-S226 PolarHBondContact O-N 3.27Å; E224-I227 WeakPolarHBondContact O-CB 3.37Å; E224-I227 PolarHBondContact O-N 3.49Å; E224-L228 WeakPolarHBondContact O-CG 3.44Å; E224-L228 PolarHBondContact O-N 3.12Å |
| 225 | D | 59.4 | Low | 61.9 | Low | 96 Ų | 96 | 115.4 Ų | 115.4 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.4 | -36.2 | 174.9 | -80.6 | -17 | 0 | 0 | 0 | 111.5 | T221 I227 L228 Q229 | T221-D225 VanDerWaalsContact O-CB 3.31Å; T221-D225 WeakPolarHBondContact O-CB 3.42Å; T221-D225 PolarHBondContact O-N 3.27Å; D225-I227 VanDerWaalsContact C-N 3.34Å; D225-L228 PolarHBondContact O-N 3.19Å; D225-Q229 WeakPolarHBondContact O-CB 3.42Å; D225-Q229 WeakPolarHBondContact O-CG 3.44Å; D225-Q229 PolarHBondContact O-N 3.18Å |
| 226 | S | 60.6 | Low | 59.8 | Low | 69 Ų | 69 | 116.4 Ų | 116.4 | 48% | 0.483 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.7 | -36.9 | 172.7 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | A222 E223 E224 N230 | A222-S226 WeakPolarHBondContact O-CB 3.27Å; A222-S226 PolarHBondContact O-N 3.23Å; E223-S226 WeakPolarHBondContact O-CB 3.5Å; E223-S226 PolarHBondContact O-N 3.05Å; E224-S226 VanDerWaalsContact C-N 3.32Å; E224-S226 PolarHBondContact O-N 3.27Å; S226-N230 PolarHBondContact O-ND2 3.25Å |
| 227 | I | 56.4 | Low | 58.1 | Low | 109 Ų | 109 | 114.7 Ų | 114.7 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -42.4 | 174.4 | -68.4 | 162.6 | 0 | 0 | 0 | 110.6 | E223 E224 D225 N230 | E223-I227 VanDerWaalsContact O-CG1 3.26Å; E223-I227 WeakPolarHBondContact O-CG1 3.37Å; E223-I227 PolarHBondContact O-N 3.33Å; E224-I227 WeakPolarHBondContact O-CB 3.37Å; E224-I227 PolarHBondContact O-N 3.49Å; D225-I227 VanDerWaalsContact C-N 3.34Å; I227-N230 PolarHBondContact O-N 3.02Å |
| 228 | L | 57 | Low | 56.4 | Low | 103 Ų | 103 | 114.8 Ų | 114.8 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.2 | -30.3 | 179.8 | -68.1 | 176.9 | 0 | 0 | 0 | 113.5 | E224 D225 N230 E231 | E224-L228 WeakPolarHBondContact O-CG 3.44Å; E224-L228 PolarHBondContact O-N 3.12Å; D225-L228 PolarHBondContact O-N 3.19Å; L228-N230 PolarHBondContact O-N 2.81Å; L228-E231 PolarHBondContact O-N 2.92Å |
| 229 | Q | 55.6 | Low | 54.9 | Low | 156 Ų | 156 | 117 Ų | 117 | 73% | 0.729 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.7 | -13.6 | 176 | -75.2 | -165.6 | 15.5 | 0 | 0 | 113.9 | D225 | D225-Q229 WeakPolarHBondContact O-CB 3.42Å; D225-Q229 WeakPolarHBondContact O-CG 3.44Å; D225-Q229 PolarHBondContact O-N 3.18Å |
| 230 | N | 56.3 | Low | 53.2 | Low | 137 Ų | 137 | 120 Ų | 120 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -7.3 | 175.1 | -70.5 | -50.2 | 0 | 0 | 0 | 114.1 | S226 I227 L228 | S226-N230 PolarHBondContact O-ND2 3.25Å; I227-N230 PolarHBondContact O-N 3.02Å; L228-N230 PolarHBondContact O-N 2.81Å |
| 231 | E | 54 | Low | 52.1 | Low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -105.2 | -3.2 | -178.2 | -104.4 | -174.5 | 171 | 0 | 0 | 115 | L228 | L228-E231 PolarHBondContact O-N 2.92Š|
| 232 | L | 52.8 | Low | 50.8 | Low | 136 Ų | 136 | 132 Ų | 132 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -111.1 | 127.5 | -178.5 | -76.4 | 162.9 | 0 | 0 | 0 | 111.5 | C234 | L232-C234 PolarHBondContact O-N 3.4Š|
| 233 | P | 42.4 | Very low | 49.9 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | trans | -72.4 | 130.4 | -179.7 | 29.1 | -32 | 0 | 0 | 0 | 111.1 | ||||
| 234 | C | 38.3 | Very low | 49.1 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -53.7 | 131.2 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 113 | L232 | L232-C234 PolarHBondContact O-N 3.4Š| ||
| 235 | Q | 46.5 | Very low | 48.2 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | trans | -120.9 | 141.1 | 151.4 | -87.3 | -172.6 | 8.6 | 0 | 0 | 109.8 | ||||
| 236 | E | 38.2 | Very low | 47.7 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -101.8 | 122.5 | -154 | -175.1 | 177.4 | -165.4 | 0 | 0 | 112.1 | ||||
| 237 | A | 44.1 | Very low | 46.8 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 50.5 | 173.7 | 145 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 238 | P | 43.8 | Very low | 45.9 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | cis | -144.5 | 177.5 | 5.8 | 41.1 | -20.2 | 0 | 0 | 0 | 118 | ||||
| 239 | A | 44.5 | Very low | 45.5 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | 87 | 97.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 240 | E | 40.3 | Very low | 45.1 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 37 | 122.4 | 124.8 | -66.1 | -177.9 | 153 | 0 | 0 | 120.4 | |||||
| 241 | H | 44.8 | Very low | 44.5 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | -166.5 | 102 | 117.8 | -97.1 | -66.6 | 0 | 0 | 0 | 111.1 | |||||
| 242 | H | 44 | Very low | 44.6 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | -75.5 | 174 | 145.9 | -94.2 | -57.9 | 0 | 0 | 0 | 108.7 | ||||
| 243 | P | 45.4 | Very low | 44.5 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | cis | -141.4 | -170.1 | 4.4 | 20.9 | 7.3 | 0 | 0 | 0 | 114.6 | ||||
| 244 | Q | 45.2 | Very low | 45.4 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | 118.1 | 97.1 | 139.1 | -59.2 | -168.2 | -59 | 0 | 0 | 118.6 | ||||
| 245 | H | 43.4 | Very low | 46.2 | Very low | 181 Ų | 181 | 140 Ų | 140 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -51.9 | 179.9 | 132.4 | -75.5 | -83.3 | 0 | 0 | 0 | 111.4 | ||||
| 246 | P | 47.4 | Very low | 46.5 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -139.2 | -176.4 | 2.5 | 24.3 | 2.3 | 0 | 0 | 0 | 113.1 | ||||
| 247 | S | 42 | Very low | 47.4 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | 153.3 | 128.3 | 109.7 | 64 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 248 | S | 39 | Very low | 48.1 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -59.2 | 138.7 | 167.6 | 178.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 249 | S | 46.8 | Very low | 48.5 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -172.2 | 142.1 | 141.3 | 67.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 250 | S | 48.9 | Very low | 49.3 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | -164.2 | 143.6 | 50.3 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 251 | D | 43.1 | Very low | 50.1 | Low | 159 Ų | 159 | 140.6 Ų | 140.6 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -54 | 147.9 | 156.2 | -63.2 | -58.9 | 0 | 0 | 0 | 111.3 | ||||
| 252 | E | 56.8 | Low | 50.9 | Low | 201 Ų | 201 | 137.4 Ų | 137.4 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -150.9 | 133.8 | 134.8 | -85.2 | -128.3 | 140.1 | 0 | 0 | 111.3 | ||||
| 253 | S | 49.7 | Very low | 51.3 | Low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -70 | 151.5 | 178.9 | -93.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 254 | S | 62.3 | Low | 52.5 | Low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -154 | 108.5 | 140.7 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 255 | S | 53.4 | Low | 53.6 | Low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | trans | -65.6 | 159.6 | 160.2 | -45.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 256 | D | 54.5 | Low | 54.6 | Low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 167.6 | 105.4 | 136 | -80.6 | -12 | 0 | 0 | 0 | 108.4 | ||||
| 257 | E | 55.3 | Low | 55.5 | Low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | 67.2 | 110 | 95.1 | -79.2 | -154.6 | 127.2 | 0 | 0 | 115 | |||||
| 258 | S | 59.7 | Low | 56.1 | Low | 121 Ų | 121 | 147.6 Ų | 147.6 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | 176.2 | 121.5 | 109.7 | 49 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 259 | S | 51.2 | Low | 57 | Low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -82 | -178.4 | 161.5 | -78.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 260 | Y | 62 | Low | 57.6 | Low | 218 Ų | 218 | 151.3 Ų | 151.3 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | 101.7 | 99.1 | 171.4 | -57.2 | -73.7 | 0 | 0 | 0 | 113.7 | ||||
| 261 | S | 56.8 | Low | 58.1 | Low | 103 Ų | 103 | 153.8 Ų | 153.8 | 72% | 0.72 | 84% | 0.836 | S | S | * | * | 63.6 | 111.3 | 71.1 | -170.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 262 | T | 61.7 | Low | 59.1 | Low | 123 Ų | 123 | 153.5 Ų | 153.5 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | 168.3 | 118 | 123.8 | -67.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 263 | C | 52.1 | Low | 59.2 | Low | 124 Ų | 124 | 150.3 Ų | 150.3 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -92.2 | 149 | 157.7 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 264 | P | 71.6 | Confident | 59.9 | Low | 117 Ų | 117 | 152.9 Ų | 152.9 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | -109.4 | 119.6 | 157.7 | 21.7 | -4.1 | 0 | 0 | 0 | 112.1 | ||||
| 265 | E | 68 | Low | 59.7 | Low | 190 Ų | 190 | 155.4 Ų | 155.4 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | 24.7 | 140.8 | 123.4 | -125.2 | 166.4 | 178.1 | 0 | 0 | 121.6 | |||||
| 266 | W | 64.1 | Low | 60.2 | Low | 240 Ų | 240 | 160.6 Ų | 160.6 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | trans | -80.3 | 150 | -171.5 | -62.9 | 65 | 0 | 0 | 0 | 113.9 | ||||
| 267 | E | 66 | Low | 60.8 | Low | 261 Ų | 261 | 162.3 Ų | 162.3 | 100% | 1.22 | 85% | 0.852 | S | S | * | * | trans | -105.9 | 0 | 153 | -82.5 | -168.9 | 159.6 | 0 | 0 | 111.2 |
Retrieved 267 of 267 residues in 787.8 ms
(Link to these results)