| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.6 | Very low | 40.4 | Very low | 234 Ų | 234 | 160.7 Ų | 160.7 | 100% | 1.153 | 85% | 0.851 | S | S | * | * | 0 | 93.4 | 0 | -57.2 | 177.8 | 80.3 | 0 | 0 | 105.9 | |||||
| 2 | S | 38.4 | Very low | 41.5 | Very low | 113 Ų | 113 | 156.3 Ų | 156.3 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | 86.3 | 100.5 | 69.1 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 3 | S | 36.7 | Very low | 41.1 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 81% | 0.811 | 84% | 0.842 | S | S | * | * | trans | 44.2 | 109.4 | 144 | -50.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 4 | A | 41.3 | Very low | 40.8 | Very low | 92 Ų | 92 | 158.9 Ų | 158.9 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | 88.7 | -175.7 | 80.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 5 | P | 58 | Low | 40.4 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 68% | 0.682 | 83% | 0.83 | S | S | * | * | -130.2 | -153.5 | -78.1 | 40 | -23.7 | 0 | 0 | 0 | 113 | |||||
| 6 | N | 36.9 | Very low | 40.2 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | 78.9 | 158.4 | 166.4 | -57.3 | -36.3 | 0 | 0 | 0 | 117 | ||||
| 7 | G | 36.8 | Very low | 39.9 | Very low | 76 Ų | 76 | 156.9 Ų | 156.9 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | cis | -173.4 | 178.2 | 4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 8 | R | 45.7 | Very low | 39.5 | Very low | 236 Ų | 236 | 153.8 Ų | 153.8 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -102.4 | 167 | -166.7 | -169.5 | 179.5 | -175.8 | -179.6 | 3.1 | 112.4 | ||||
| 9 | K | 39.8 | Very low | 39.3 | Very low | 194 Ų | 194 | 150.5 Ų | 150.5 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | 93 | 146.7 | 170.7 | -52.2 | 165 | -178.4 | 176.8 | 0 | 113.2 | ||||
| 10 | K | 34.3 | Very low | 39.6 | Very low | 206 Ų | 206 | 150.2 Ų | 150.2 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | cis | -144.6 | 154.5 | 39.3 | -64 | 178.3 | 178.4 | 177.3 | 0 | 115.7 | ||||
| 11 | R | 37.2 | Very low | 39.5 | Very low | 236 Ų | 236 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -92.9 | -178.3 | 154.4 | -129.1 | -164.3 | -178.4 | 170.9 | 0.2 | 107.5 | ||||
| 12 | P | 53.2 | Low | 39.5 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -120.8 | -175.3 | -40.2 | 36.1 | -20.6 | 0 | 0 | 0 | 111.2 | ||||
| 13 | S | 36.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 161.8 | 139.3 | -162.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | R | 37.8 | Very low | 39.4 | Very low | 221 Ų | 221 | 151.9 Ų | 151.9 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -134.8 | 156.5 | -152.8 | -173.2 | -169.3 | -169.6 | -169.8 | 4.8 | 110.1 | ||||
| 15 | S | 34.1 | Very low | 39.1 | Very low | 96 Ų | 96 | 157.2 Ų | 157.2 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | 73.2 | 147.4 | 159.3 | -124.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 16 | T | 37.1 | Very low | 38.5 | Very low | 122 Ų | 122 | 157.7 Ų | 157.7 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | cis | -159.1 | 161.3 | -2.3 | -14.4 | 0 | 0 | 0 | 0 | 105 | ||||
| 17 | R | 34.5 | Very low | 38.5 | Very low | 225 Ų | 225 | 156 Ų | 156 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | cis | -168.1 | 160.2 | 33 | -165.6 | 165.7 | 178.8 | 170.4 | -2.4 | 110.3 | ||||
| 18 | S | 33.5 | Very low | 38.4 | Very low | 102 Ų | 102 | 159.8 Ų | 159.8 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -44 | 161.5 | 165.7 | 51.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 19 | S | 35.3 | Very low | 38.3 | Very low | 91 Ų | 91 | 158 Ų | 158 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | cis | -165 | 132.7 | 44 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | I | 45.8 | Very low | 38.1 | Very low | 143 Ų | 143 | 154.3 Ų | 154.3 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | 31.1 | 111.7 | 98.6 | -53.5 | 174.9 | 0 | 0 | 0 | 115.2 | |||||
| 21 | F | 37.1 | Very low | 38 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | -162.8 | 161.6 | 119.2 | -100.4 | -69 | 0 | 0 | 0 | 111.2 | |||||
| 22 | Q | 40.4 | Very low | 38.1 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -88.4 | 161 | -166.9 | -58.6 | 169.3 | -16.2 | 0 | 0 | 113.5 | ||||
| 23 | I | 37.7 | Very low | 37.5 | Very low | 176 Ų | 176 | 148 Ų | 148 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | trans | -165 | 151.1 | 141 | -98.2 | 146.3 | 0 | 0 | 0 | 110.1 | ||||
| 24 | S | 34.7 | Very low | 37.5 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -103 | 138.2 | -157.2 | -33.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 25 | K | 35.9 | Very low | 38.3 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | 177.5 | 142.4 | 134.5 | -103.7 | 170.5 | -178.3 | 177.9 | 0 | 112.3 | ||||
| 26 | P | 43.6 | Very low | 39.2 | Very low | 114 Ų | 114 | 159.2 Ų | 159.2 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 151.4 | 172.9 | 37 | -32.2 | 0 | 0 | 0 | 112.8 | ||
| 27 | P | 37.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 140.2 | 147.5 | -9 | 27.9 | 0 | 0 | 0 | 110.1 | ||
| 28 | L | 35.1 | Very low | 40.3 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149.1 | -175.8 | -68.7 | 86.1 | 0 | 0 | 0 | 112.7 | S30 | L28-S30 PolarHBondContact O-N 3.5Š|
| 29 | Q | 44.1 | Very low | 41.3 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120 | 145.4 | -69 | 177.6 | -1.6 | 0 | 0 | 108.3 | ||
| 30 | S | 33.9 | Very low | 42.6 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -163.8 | 137.1 | 161.2 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | L28 | L28-S30 PolarHBondContact O-N 3.5Š| ||
| 31 | G | 33.7 | Very low | 43.5 | Very low | 49 Ų | 49 | 146.5 Ų | 146.5 | 51% | 0.505 | 77% | 0.769 | S | S | . | * | trans | 96.4 | 41.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | W33 | G31-W33 PolarHBondContact O-N 2.98Š| ||
| 32 | D | 38.3 | Very low | 45.1 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 92% | 0.92 | 75% | 0.749 | S | S | * | * | trans | -75.3 | 72.2 | 162.3 | -166.2 | 2.1 | 0 | 0 | 0 | 110.2 | ||||
| 33 | W | 41.6 | Very low | 46.8 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | -164.7 | 80.4 | 174.2 | 54.3 | -83.2 | 0 | 0 | 0 | 114 | G31 | G31-W33 PolarHBondContact O-N 2.98Š| ||
| 34 | E | 36.7 | Very low | 48.9 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | -160.9 | 45.2 | 152.2 | -114.7 | 156 | -166 | 0 | 0 | 112.7 | ||||
| 35 | R | 52.9 | Low | 51.2 | Low | 237 Ų | 237 | 134 Ų | 134 | 89% | 0.894 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -137.7 | 55.4 | 172.3 | -161.8 | -176.7 | -75.8 | -137.7 | -0.6 | 112.5 | ||
| 36 | R | 53.6 | Low | 53.4 | Low | 257 Ų | 257 | 128.1 Ų | 128.1 | 97% | 0.97 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -174.1 | 110.5 | 161.1 | -113 | 170.1 | -86.8 | -124.5 | 4 | 110.5 | ||
| 37 | G | 43 | Very low | 55.5 | Low | 49 Ų | 49 | 126.7 Ų | 126.7 | 51% | 0.505 | 68% | 0.677 | S | S | . | * | S | Bend | trans | 177.6 | -61.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | G39 S40 | G37-G39 PolarHBondContact O-N 3.36Å; G37-S40 PolarHBondContact O-N 3.41Å; G37-S40 VanDerWaalsContact O-N 3.13Å |
| 38 | S | 51.5 | Low | 58.1 | Low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61.7 | -14.9 | -164.6 | -44.1 | 0 | 0 | 0 | 0 | 117 | S42 | S38-S42 WeakPolarHBondContact O-CB 3.37Å; S38-S42 PolarHBondContact O-N 3.41Å; S38-S42 PolarHBondContact O-OG 3.11Å |
| 39 | G | 55.3 | Low | 60.8 | Low | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.3 | -30.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G37 S42 | G37-G39 PolarHBondContact O-N 3.36Å; G39-S42 PolarHBondContact O-OG 3.34Å |
| 40 | S | 61.8 | Low | 63.1 | Low | 68 Ų | 68 | 114.4 Ų | 114.4 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -81.1 | -46.2 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | G37 S42 A43 H44 | G37-S40 PolarHBondContact O-N 3.41Å; G37-S40 VanDerWaalsContact O-N 3.13Å; S40-S42 PolarHBondContact O-N 3.13Å; S40-A43 PolarHBondContact O-N 3.37Å; S40-H44 PolarHBondContact O-CD2 2.85Å; S40-H44 PolarHBondContact O-N 3.32Å; S40-H44 PolarHBondContact OG-CD2 3.07Å; S40-H44 PolarHBondContact OG-NE2 3.44Å |
| 41 | E | 65.1 | Low | 66 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.4 | -38.3 | -178.4 | -62.9 | -173.7 | 130.6 | 0 | 0 | 112.9 | K45 | E41-K45 VanDerWaalsContact O-CB 3.31Å; E41-K45 WeakPolarHBondContact O-CB 3.48Å; E41-K45 PolarHBondContact O-N 3.11Å |
| 42 | S | 70.8 | Confident | 68.9 | Low | 64 Ų | 64 | 113.8 Ų | 113.8 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.2 | -45.1 | 176.5 | 54 | 0 | 0 | 0 | 0 | 111.9 | S38 G39 S40 H44 K45 T46 | S38-S42 WeakPolarHBondContact O-CB 3.37Å; S38-S42 PolarHBondContact O-N 3.41Å; S38-S42 PolarHBondContact O-OG 3.11Å; G39-S42 PolarHBondContact O-OG 3.34Å; S40-S42 PolarHBondContact O-N 3.13Å; S42-H44 PolarHBondContact O-N 3.17Å; S42-K45 PolarHBondContact O-N 2.96Å; S42-T46 PolarHBondContact O-N 3.49Å; S42-T46 PolarHBondContact O-OG1 2.94Å |
| 43 | A | 75.6 | Confident | 71.7 | Confident | 59 Ų | 59 | 105.6 Ų | 105.6 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S40 K45 T46 Q47 | S40-A43 PolarHBondContact O-N 3.37Å; A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 2.72Å; A43-T46 PolarHBondContact O-N 3.3Å; A43-Q47 WeakPolarHBondContact O-CB 3.31Å; A43-Q47 PolarHBondContact O-N 3.37Å |
| 44 | H | 81.3 | Confident | 74.4 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -34 | 175.6 | -72.8 | -53 | 0 | 0 | 0 | 113 | S40 S42 R48 | S40-H44 PolarHBondContact O-CD2 2.85Å; S40-H44 PolarHBondContact O-N 3.32Å; S40-H44 PolarHBondContact OG-CD2 3.07Å; S40-H44 PolarHBondContact OG-NE2 3.44Å; S42-H44 PolarHBondContact O-N 3.17Å; H44-R48 VanDerWaalsContact O-CG 3.31Å; H44-R48 WeakPolarHBondContact O-CG 3.33Å; H44-R48 PolarHBondContact O-N 3.2Å; H44-R48 VanDerWaalsContact O-N 3.11Å |
| 45 | K | 83.1 | Confident | 77.3 | Confident | 159 Ų | 159 | 97.6 Ų | 97.6 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -45 | 175.4 | -172.9 | 179.6 | 179.6 | -178.2 | 0 | 111.7 | E41 S42 A43 R48 A49 | E41-K45 VanDerWaalsContact O-CB 3.31Å; E41-K45 WeakPolarHBondContact O-CB 3.48Å; E41-K45 PolarHBondContact O-N 3.11Å; S42-K45 PolarHBondContact O-N 2.96Å; A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 2.72Å; K45-R48 PolarHBondContact O-N 2.92Å; K45-A49 PolarHBondContact O-N 3.18Å |
| 46 | T | 82.7 | Confident | 79.4 | Confident | 81 Ų | 81 | 87.5 Ų | 87.5 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | S42 A43 A49 L50 | S42-T46 PolarHBondContact O-N 3.49Å; S42-T46 PolarHBondContact O-OG1 2.94Å; A43-T46 PolarHBondContact O-N 3.3Å; T46-A49 PolarHBondContact O-N 2.96Å; T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 PolarHBondContact O-N 2.74Å |
| 47 | Q | 88 | Confident | 81.5 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.5 | -177.1 | 56.7 | 50.4 | 0 | 0 | 111.9 | A43 A49 L50 D51 | A43-Q47 WeakPolarHBondContact O-CB 3.31Å; A43-Q47 PolarHBondContact O-N 3.37Å; Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3.42Å; Q47-L50 WeakPolarHBondContact O-CB 3.31Å; Q47-L50 PolarHBondContact O-N 2.89Å; Q47-L50 VanDerWaalsContact O-N 3.13Å; Q47-D51 VanDerWaalsContact NE2-CG 3.27Å; Q47-D51 PolarHBondContact NE2-OD1 3.34Å; Q47-D51 PolarHBondContact NE2-OD2 2.97Å; Q47-D51 PolarHBondContact O-N 2.98Å; Q47-D51 VanDerWaalsContact O-OD2 3.13Å |
| 48 | R | 91.8 | Very high | 84.2 | Confident | 175 Ų | 175 | 78.6 Ų | 78.6 | 66% | 0.66 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.9 | -41.7 | 175.8 | -69.8 | 173.7 | -161.1 | 164.6 | 6.7 | 112.3 | H44 K45 L50 D51 D52 | H44-R48 VanDerWaalsContact O-CG 3.31Å; H44-R48 WeakPolarHBondContact O-CG 3.33Å; H44-R48 PolarHBondContact O-N 3.2Å; H44-R48 VanDerWaalsContact O-N 3.11Å; K45-R48 PolarHBondContact O-N 2.92Å; R48-L50 VanDerWaalsContact C-N 3.3Å; R48-L50 PolarHBondContact O-N 2.69Å; R48-D51 PolarHBondContact O-N 2.98Å; R48-D52 WeakPolarHBondContact O-CB 3.4Å; R48-D52 PolarHBondContact O-N 3.49Å |
| 49 | A | 91.6 | Very high | 86.4 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | K45 T46 Q47 D52 C53 I109 | K45-A49 PolarHBondContact O-N 3.18Å; T46-A49 PolarHBondContact O-N 2.96Å; Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3.42Å; A49-D52 WeakPolarHBondContact O-CB 3.45Å; A49-C53 WeakPolarHBondContact O-CB 3.23Å; A49-C53 PolarHBondContact O-N 2.93Å; A49-I109 HydrophobicContact CB-CG2 3.62Å |
| 50 | L | 92.8 | Very high | 88.5 | Confident | 11 Ų | 11 | 74.8 Ų | 74.8 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.6 | -43 | 173.7 | 179.7 | 136.2 | 0 | 0 | 0 | 112 | T46 Q47 R48 C53 K54 I109 E120 I121 | T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 PolarHBondContact O-N 2.74Å; Q47-L50 WeakPolarHBondContact O-CB 3.31Å; Q47-L50 PolarHBondContact O-N 2.89Å; Q47-L50 VanDerWaalsContact O-N 3.13Å; R48-L50 VanDerWaalsContact C-N 3.3Å; R48-L50 PolarHBondContact O-N 2.69Å; L50-C53 PolarHBondContact O-N 3.44Å; L50-K54 WeakPolarHBondContact O-CB 3.4Å; L50-K54 PolarHBondContact O-N 2.96Å; L50-I109 HydrophobicContact CB-CD1 4.12Å; L50-I109 HydrophobicContact CD1-CD1 4.41Å; L50-I109 HydrophobicContact CG-CD1 4.37Å; L50-E120 HydrophobicContact CD1-CB 4.33Å; L50-E120 HydrophobicContact CD2-CG 4.27Å; L50-I121 HydrophobicContact CD1-CD1 4.47Å; L50-I121 HydrophobicContact CD1-CG1 3.78Å |
| 51 | D | 95.3 | Very high | 90.2 | Very high | 76 Ų | 76 | 74.4 Ų | 74.4 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.6 | -64.3 | -38.8 | 0 | 0 | 0 | 111.6 | Q47 R48 C53 K54 M55 | Q47-D51 VanDerWaalsContact NE2-CG 3.27Å; Q47-D51 PolarHBondContact NE2-OD1 3.34Å; Q47-D51 PolarHBondContact NE2-OD2 2.97Å; Q47-D51 PolarHBondContact O-N 2.98Å; Q47-D51 VanDerWaalsContact O-OD2 3.13Å; R48-D51 PolarHBondContact O-N 2.98Å; D51-C53 PolarHBondContact O-N 3.46Å; D51-K54 PolarHBondContact O-N 2.9Å; D51-M55 PolarHBondContact O-N 3.06Å |
| 52 | D | 95.2 | Very high | 91.8 | Very high | 77 Ų | 77 | 70.6 Ų | 70.6 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.3 | -47.6 | 170 | -100.1 | 30.8 | 0 | 0 | 0 | 112.3 | R48 A49 M55 L56 K105 | R48-D52 WeakPolarHBondContact O-CB 3.4Å; R48-D52 PolarHBondContact O-N 3.49Å; A49-D52 WeakPolarHBondContact O-CB 3.45Å; D52-M55 PolarHBondContact O-N 2.8Å; D52-L56 PolarHBondContact O-N 2.75Å; D52-L56 VanDerWaalsContact O-N 3.12Å; D52-K105 HydrophobicContact CB-CD 4.26Å; D52-K105 IonicContact OD2-NZ 3.73Å; D52-K105 PolarHBondContact OD2-NZ 3.34Å |
| 53 | C | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | -179.4 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | A49 L50 D51 L56 V57 K105 I109 L124 | A49-C53 WeakPolarHBondContact O-CB 3.23Å; A49-C53 PolarHBondContact O-N 2.93Å; L50-C53 PolarHBondContact O-N 3.44Å; D51-C53 PolarHBondContact O-N 3.46Å; C53-L56 PolarHBondContact O-N 2.71Å; C53-V57 WeakPolarHBondContact O-CG2 3.43Å; C53-V57 PolarHBondContact O-N 3.13Å; C53-K105 HydrophobicContact CB-CB 4.27Å; C53-I109 HydrophobicContact CB-CD1 3.89Å; C53-L124 HydrophobicContact CB-CD1 4.31Å |
| 54 | K | 97.1 | Very high | 94.2 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.7 | -177.9 | 168.7 | -177.6 | 163.3 | 0 | 112.2 | L50 D51 V57 Q58 E120 L124 | L50-K54 WeakPolarHBondContact O-CB 3.4Å; L50-K54 PolarHBondContact O-N 2.96Å; D51-K54 PolarHBondContact O-N 2.9Å; K54-V57 PolarHBondContact O-N 3.37Å; K54-Q58 WeakPolarHBondContact O-CB 3.44Å; K54-Q58 PolarHBondContact O-N 3.25Å; K54-E120 IonicContact NZ-OE1 2.69Å; K54-E120 PolarHBondContact NZ-OE1 2.69Å; K54-L124 HydrophobicContact CB-CD1 4.48Å; K54-L124 HydrophobicContact CB-CD2 4Å; K54-L124 HydrophobicContact CG-CD2 4.2Å |
| 55 | M | 97.8 | Very high | 95 | Very high | 134 Ų | 134 | 63 Ų | 63 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.1 | -43.8 | 174.9 | -170.1 | -174.9 | -61.6 | 0 | 0 | 111.9 | D51 D52 Q58 E59 | D51-M55 PolarHBondContact O-N 3.06Å; D52-M55 PolarHBondContact O-N 2.8Å; M55-Q58 PolarHBondContact O-N 3.26Å; M55-E59 WeakPolarHBondContact O-CB 3.37Å; M55-E59 PolarHBondContact O-N 2.97Å |
| 56 | L | 97.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 177.1 | -71.7 | -177.1 | 0 | 0 | 0 | 113.1 | D52 C53 Q58 E59 F60 M98 Q101 A102 K105 | D52-L56 PolarHBondContact O-N 2.75Å; D52-L56 VanDerWaalsContact O-N 3.12Å; C53-L56 PolarHBondContact O-N 2.71Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; L56-Q58 PolarHBondContact O-N 3.47Å; L56-E59 PolarHBondContact O-N 3Å; L56-F60 VanDerWaalsContact O-CB 3.28Å; L56-F60 WeakPolarHBondContact O-CB 3.3Å; L56-F60 PolarHBondContact O-N 2.87Å; L56-M98 HydrophobicContact CD2-CE 4.12Å; L56-Q101 HydrophobicContact CD1-CB 4.28Å; L56-Q101 HydrophobicContact CD1-CG 3.73Å; L56-Q101 VanDerWaalsContact CD2-OE1 3.25Å; L56-A102 HydrophobicContact CB-CB 4.23Å; L56-K105 HydrophobicContact CD1-CD 3.65Å; L56-K105 HydrophobicContact CD1-CG 4.06Å |
| 57 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | C53 K54 N61 A102 L124 Q127 L128 | C53-V57 WeakPolarHBondContact O-CG2 3.43Å; C53-V57 PolarHBondContact O-N 3.13Å; K54-V57 PolarHBondContact O-N 3.37Å; V57-N61 PolarHBondContact O-N 2.95Å; V57-A102 HydrophobicContact CG2-CB 4.1Å; V57-L124 HydrophobicContact CB-CD2 4.28Å; V57-L124 HydrophobicContact CG2-CD2 4.29Å; V57-Q127 HydrophobicContact CG1-CB 3.93Å; V57-Q127 HydrophobicContact CG1-CG 3.59Å; V57-L128 HydrophobicContact CG1-CB 4.41Å; V57-L128 HydrophobicContact CG2-CB 4.26Å |
| 58 | Q | 98.3 | Very high | 97 | Very high | 119 Ų | 119 | 57.8 Ų | 57.8 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.2 | -47.4 | 175.6 | -179.1 | 176.5 | -14.5 | 0 | 0 | 112.5 | K54 M55 L56 F60 N61 T62 | K54-Q58 WeakPolarHBondContact O-CB 3.44Å; K54-Q58 PolarHBondContact O-N 3.25Å; M55-Q58 PolarHBondContact O-N 3.26Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; L56-Q58 PolarHBondContact O-N 3.47Å; Q58-F60 VanDerWaalsContact C-N 3.3Å; Q58-F60 PolarHBondContact O-N 3.42Å; Q58-N61 WeakPolarHBondContact O-CB 3.47Å; Q58-N61 PolarHBondContact O-N 3.06Å; Q58-T62 PolarHBondContact O-N 3.37Å; Q58-T62 PolarHBondContact O-OG1 3.12Å |
| 59 | E | 98.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.6 | -34.4 | 177.2 | 176.3 | 66 | -169.2 | 0 | 0 | 111.2 | M55 L56 T62 Q63 K94 M98 | M55-E59 WeakPolarHBondContact O-CB 3.37Å; M55-E59 PolarHBondContact O-N 2.97Å; L56-E59 PolarHBondContact O-N 3Å; E59-T62 WeakPolarHBondContact O-CB 3.41Å; E59-T62 PolarHBondContact O-N 3.01Å; E59-Q63 WeakPolarHBondContact O-CB 3.4Å; E59-Q63 PolarHBondContact O-N 3.41Å; E59-K94 IonicContact OE1-NZ 3.87Å; E59-K94 PolarHBondContact OE1-NZ 3.34Å; E59-M98 HydrophobicContact CB-CE 3.53Å; E59-M98 HydrophobicContact CB-SD 4.48Å; E59-M98 HydrophobicContact CG-CE 3.25Å; E59-M98 HydrophobicContact CG-SD 3.67Å |
| 60 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 172 | 176.9 | -124 | 0 | 0 | 0 | 111.4 | L56 Q58 T62 Q63 V64 G95 M98 A99 L128 C131 L132 Y135 | L56-F60 VanDerWaalsContact O-CB 3.28Å; L56-F60 WeakPolarHBondContact O-CB 3.3Å; L56-F60 PolarHBondContact O-N 2.87Å; Q58-F60 VanDerWaalsContact C-N 3.3Å; Q58-F60 PolarHBondContact O-N 3.42Å; F60-T62 VanDerWaalsContact C-N 3.3Å; F60-T62 PolarHBondContact O-N 3.27Å; F60-Q63 CarbonylContact O-C 3.59Å; F60-Q63 WeakPolarHBondContact O-CA 3.16Å; F60-Q63 VanDerWaalsContact O-CB 3.28Å; F60-Q63 WeakPolarHBondContact O-CB 3.36Å; F60-Q63 PolarHBondContact O-N 2.92Å; F60-V64 HydrophobicContact CD2-CG2 4.24Å; F60-V64 HydrophobicContact CE1-CG2 4.14Å; F60-V64 HydrophobicContact CE2-CG2 3.76Å; F60-V64 HydrophobicContact CZ-CG2 3.71Å; F60-V64 WeakPolarHBondContact O-CG2 3.32Å; F60-V64 PolarHBondContact O-N 3.03Å; F60-G95 VanDerWaalsContact CE2-O 3.31Å; F60-G95 WeakPolarHBondContact CE2-O 3.46Å; F60-M98 HydrophobicContact CB-CB 4.32Å; F60-M98 HydrophobicContact CB-CE 4.45Å; F60-M98 HydrophobicContact CD2-CB 4.13Å; F60-A99 HydrophobicContact CD2-CB 4.25Å; F60-A99 HydrophobicContact CE1-CB 4.06Å; F60-A99 HydrophobicContact CE2-CB 3.8Å; F60-A99 HydrophobicContact CZ-CB 3.7Å; F60-L128 HydrophobicContact CD1-CD1 3.8Å; F60-L128 HydrophobicContact CE1-CD1 4.03Å; F60-C131 HydrophobicContact CD1-CB 3.65Å; F60-C131 HydrophobicContact CE1-CB 3.46Å; F60-C131 VanDerWaalsContact CE1-CB 3.46Å; F60-C131 HydrophobicContact CZ-CB 4.49Å; F60-L132 HydrophobicContact CE1-CD2 4.48Å; F60-L132 HydrophobicContact CE1-CG 4.21Å; F60-L132 HydrophobicContact CZ-CD2 4.3Å; F60-L132 HydrophobicContact CZ-CG 4.5Å; F60-Y135 AromaticContact CE2-CD1 3.86Å; F60-Y135 HydrophobicContact CE2-CD1 3.86Å; F60-Y135 HydrophobicContact CE2-CE1 4.05Å; F60-Y135 HydrophobicContact CE2-CG 4.22Å; F60-Y135 AromaticContact CZ-CD1 3.74Å; F60-Y135 HydrophobicContact CZ-CD1 3.74Å; F60-Y135 HydrophobicContact CZ-CE1 4.36Å; F60-Y135 HydrophobicContact CZ-CG 4.02Å |
| 61 | N | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 54.3 Ų | 54.3 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 173.9 | -171.9 | 36.8 | 0 | 0 | 0 | 112 | V57 Q58 Q63 V64 A65 | V57-N61 PolarHBondContact O-N 2.95Å; Q58-N61 WeakPolarHBondContact O-CB 3.47Å; Q58-N61 PolarHBondContact O-N 3.06Å; N61-Q63 VanDerWaalsContact C-N 3.32Å; N61-Q63 PolarHBondContact O-N 2.99Å; N61-V64 PolarHBondContact O-N 3.21Å; N61-A65 PolarHBondContact O-N 3.26Å |
| 62 | T | 98.5 | Very high | 97.8 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 171.9 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | Q58 E59 F60 V64 A65 L66 | Q58-T62 PolarHBondContact O-N 3.37Å; Q58-T62 PolarHBondContact O-OG1 3.12Å; E59-T62 WeakPolarHBondContact O-CB 3.41Å; E59-T62 PolarHBondContact O-N 3.01Å; F60-T62 VanDerWaalsContact C-N 3.3Å; F60-T62 PolarHBondContact O-N 3.27Å; T62-V64 VanDerWaalsContact C-N 3.34Å; T62-V64 PolarHBondContact O-N 3.42Å; T62-A65 WeakPolarHBondContact O-CB 3.46Å; T62-A65 PolarHBondContact O-N 3.3Å; T62-L66 HydrophobicContact CG2-CD1 4.41Å; T62-L66 WeakPolarHBondContact O-CG 3.42Å; T62-L66 PolarHBondContact O-N 3.07Å |
| 63 | Q | 98.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.8 | -164.1 | 65.3 | 26.7 | 0 | 0 | 112.7 | E59 F60 N61 Y67 T91 K94 | E59-Q63 WeakPolarHBondContact O-CB 3.4Å; E59-Q63 PolarHBondContact O-N 3.41Å; F60-Q63 CarbonylContact O-C 3.59Å; F60-Q63 WeakPolarHBondContact O-CA 3.16Å; F60-Q63 VanDerWaalsContact O-CB 3.28Å; F60-Q63 WeakPolarHBondContact O-CB 3.36Å; F60-Q63 PolarHBondContact O-N 2.92Å; N61-Q63 VanDerWaalsContact C-N 3.32Å; N61-Q63 PolarHBondContact O-N 2.99Å; Q63-Y67 WeakPolarHBondContact O-CB 3.4Å; Q63-Y67 PolarHBondContact O-N 3.26Å; Q63-T91 VanDerWaalsContact NE2-CA 3.32Å; Q63-T91 PolarHBondContact NE2-O 3.49Å; Q63-K94 HydrophobicContact CG-CG 4.49Å |
| 64 | V | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 173 | 178 | 0 | 0 | 0 | 0 | 111 | F60 N61 T62 Y67 R68 M134 Y135 | F60-V64 HydrophobicContact CD2-CG2 4.24Å; F60-V64 HydrophobicContact CE1-CG2 4.14Å; F60-V64 HydrophobicContact CE2-CG2 3.76Å; F60-V64 HydrophobicContact CZ-CG2 3.71Å; F60-V64 WeakPolarHBondContact O-CG2 3.32Å; F60-V64 PolarHBondContact O-N 3.03Å; N61-V64 PolarHBondContact O-N 3.21Å; T62-V64 VanDerWaalsContact C-N 3.34Å; T62-V64 PolarHBondContact O-N 3.42Å; V64-Y67 PolarHBondContact O-N 3.4Å; V64-R68 WeakPolarHBondContact O-CB 3.23Å; V64-R68 PolarHBondContact O-N 3.22Å; V64-M134 HydrophobicContact CG1-CB 4.06Å; V64-Y135 HydrophobicContact CB-CD2 4.4Å; V64-Y135 HydrophobicContact CG1-CD2 4.35Å; V64-Y135 HydrophobicContact CG2-CD2 3.82Å; V64-Y135 HydrophobicContact CG2-CG 3.9Å |
| 65 | A | 98.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 44% | 0.438 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N61 T62 Y67 R68 E69 | N61-A65 PolarHBondContact O-N 3.26Å; T62-A65 WeakPolarHBondContact O-CB 3.46Å; T62-A65 PolarHBondContact O-N 3.3Å; A65-Y67 VanDerWaalsContact C-N 3.33Å; A65-Y67 PolarHBondContact O-N 3.27Å; A65-R68 WeakPolarHBondContact O-CB 3.42Å; A65-R68 PolarHBondContact O-N 3.15Å; A65-R68 VanDerWaalsContact O-N 3.16Å; A65-E69 PolarHBondContact O-N 3.03Å |
| 66 | L | 98.6 | Very high | 96.2 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 175 | -70.4 | 172.7 | 0 | 0 | 0 | 112.1 | T62 R68 E69 L70 T91 | T62-L66 HydrophobicContact CG2-CD1 4.41Å; T62-L66 WeakPolarHBondContact O-CG 3.42Å; T62-L66 PolarHBondContact O-N 3.07Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.87Å; L66-E69 PolarHBondContact O-N 3.37Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.48Å; L66-T91 HydrophobicContact CB-CG2 4.3Å |
| 67 | Y | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176 | -168.9 | -108 | 0 | 0 | 0 | 111.5 | Q63 V64 A65 E69 L70 V71 M88 T91 R92 Y135 E138 M139 S142 | Q63-Y67 WeakPolarHBondContact O-CB 3.4Å; Q63-Y67 PolarHBondContact O-N 3.26Å; V64-Y67 PolarHBondContact O-N 3.4Å; A65-Y67 VanDerWaalsContact C-N 3.33Å; A65-Y67 PolarHBondContact O-N 3.27Å; Y67-E69 PolarHBondContact O-N 3.22Å; Y67-L70 PolarHBondContact O-N 2.91Å; Y67-V71 HydrophobicContact CD1-CG2 3.92Å; Y67-V71 HydrophobicContact CE1-CG2 3.66Å; Y67-V71 WeakPolarHBondContact O-CG2 3.46Å; Y67-V71 PolarHBondContact O-N 3.31Å; Y67-M88 HydrophobicContact CE2-CB 4.43Å; Y67-M88 HydrophobicContact CE2-CE 3.88Å; Y67-T91 HydrophobicContact CD2-CG2 3.96Å; Y67-T91 HydrophobicContact CG-CG2 4.42Å; Y67-R92 HydrophobicContact CD2-CB 4.36Å; Y67-R92 HydrophobicContact CE2-CB 3.84Å; Y67-R92 HydrophobicContact CE2-CG 4.23Å; Y67-Y135 HydrophobicContact CD1-CD2 4.25Å; Y67-Y135 AromaticContact CD1-CE2 3.94Å; Y67-Y135 HydrophobicContact CD1-CE2 3.94Å; Y67-Y135 AromaticContact CG-CE2 3.96Å; Y67-Y135 HydrophobicContact CG-CE2 3.96Å; Y67-E138 HydrophobicContact CD1-CB 3.92Å; Y67-E138 HydrophobicContact CE1-CB 4.23Å; Y67-M139 HydrophobicContact CE1-CG 4.12Å; Y67-S142 WeakPolarHBondContact OH-CB 3.35Å; Y67-S142 PolarHBondContact OH-OG 2.87Å |
| 68 | R | 98.4 | Very high | 93.9 | Very high | 125 Ų | 125 | 58.6 Ų | 58.6 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 176.6 | -180 | 173 | 168.9 | 179.6 | -3.3 | 112.8 | V64 A65 L66 L70 V71 I72 E138 | V64-R68 WeakPolarHBondContact O-CB 3.23Å; V64-R68 PolarHBondContact O-N 3.22Å; A65-R68 WeakPolarHBondContact O-CB 3.42Å; A65-R68 PolarHBondContact O-N 3.15Å; A65-R68 VanDerWaalsContact O-N 3.16Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.87Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.15Å; R68-V71 WeakPolarHBondContact O-CB 3.47Å; R68-V71 PolarHBondContact O-N 3.31Å; R68-V71 VanDerWaalsContact O-N 3.11Å; R68-I72 HydrophobicContact CG-CD1 4.11Å; R68-I72 WeakPolarHBondContact O-CG1 3.4Å; R68-I72 PolarHBondContact O-N 3.03Å; R68-E138 HydrophobicContact CB-CG 4.1Å; R68-E138 HydrophobicContact CG-CG 4.35Å |
| 69 | E | 98 | Very high | 92.5 | Very high | 110 Ų | 110 | 57.6 Ų | 57.6 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 176.2 | -65.1 | -53.5 | 128.3 | 0 | 0 | 112 | A65 L66 Y67 V71 I72 S73 | A65-E69 PolarHBondContact O-N 3.03Å; L66-E69 PolarHBondContact O-N 3.37Å; Y67-E69 PolarHBondContact O-N 3.22Å; E69-V71 VanDerWaalsContact C-N 3.34Å; E69-I72 PolarHBondContact O-N 2.99Å; E69-S73 WeakPolarHBondContact O-CB 3.26Å; E69-S73 PolarHBondContact O-N 2.89Å; E69-S73 PolarHBondContact O-OG 3.37Å |
| 70 | L | 96.9 | Very high | 91.3 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.2 | -32.6 | 173.2 | -59.2 | 171.6 | 0 | 0 | 0 | 112.5 | L66 Y67 R68 S73 I74 L84 E87 M88 T91 | L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.48Å; Y67-L70 PolarHBondContact O-N 2.91Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.15Å; L70-S73 WeakPolarHBondContact O-CB 3.26Å; L70-S73 PolarHBondContact O-N 2.89Å; L70-I74 PolarHBondContact O-N 2.96Å; L70-L84 HydrophobicContact CB-CD1 4.17Å; L70-L84 HydrophobicContact CD2-CD1 3.81Å; L70-E87 HydrophobicContact CD1-CB 4.43Å; L70-M88 HydrophobicContact CB-CG 3.63Å; L70-M88 HydrophobicContact CB-SD 4.45Å; L70-M88 HydrophobicContact CD1-CG 4.11Å; L70-M88 HydrophobicContact CG-CG 4.42Å; L70-T91 HydrophobicContact CD1-CG2 4.02Å; L70-T91 WeakPolarHBondContact CD1-OG1 3.28Å |
| 71 | V | 96.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 174.2 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | Y67 R68 E69 S73 I74 M88 K141 L145 | Y67-V71 HydrophobicContact CD1-CG2 3.92Å; Y67-V71 HydrophobicContact CE1-CG2 3.66Å; Y67-V71 WeakPolarHBondContact O-CG2 3.46Å; Y67-V71 PolarHBondContact O-N 3.31Å; R68-V71 WeakPolarHBondContact O-CB 3.47Å; R68-V71 PolarHBondContact O-N 3.31Å; R68-V71 VanDerWaalsContact O-N 3.11Å; E69-V71 VanDerWaalsContact C-N 3.34Å; V71-S73 VanDerWaalsContact C-N 3.3Å; V71-S73 PolarHBondContact O-N 3.04Å; V71-I74 WeakPolarHBondContact O-CB 3.28Å; V71-I74 PolarHBondContact O-N 3.46Å; V71-M88 HydrophobicContact CG2-CE 3.71Å; V71-K141 HydrophobicContact CG1-CB 3.91Å; V71-L145 HydrophobicContact CG1-CD1 3.91Å |
| 72 | I | 95.7 | Very high | 90.2 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 171.5 | -67.6 | 164.7 | 0 | 0 | 0 | 109.7 | R68 E69 I74 G75 | R68-I72 HydrophobicContact CG-CD1 4.11Å; R68-I72 WeakPolarHBondContact O-CG1 3.4Å; R68-I72 PolarHBondContact O-N 3.03Å; E69-I72 PolarHBondContact O-N 2.99Å; I72-I74 PolarHBondContact O-N 3.5Å; I72-G75 WeakPolarHBondContact O-CA 3.19Å; I72-G75 PolarHBondContact O-N 3.36Å |
| 73 | S | 94.6 | Very high | 89.9 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -19.7 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 114 | E69 L70 V71 G75 V77 | E69-S73 WeakPolarHBondContact O-CB 3.26Å; E69-S73 PolarHBondContact O-N 2.89Å; E69-S73 PolarHBondContact O-OG 3.37Å; L70-S73 WeakPolarHBondContact O-CB 3.26Å; L70-S73 PolarHBondContact O-N 2.89Å; V71-S73 VanDerWaalsContact C-N 3.3Å; V71-S73 PolarHBondContact O-N 3.04Å; S73-G75 VanDerWaalsContact C-N 3.31Å; S73-V77 WeakPolarHBondContact O-CG2 3.4Å |
| 74 | I | 92.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 170.7 | -58.3 | 165.6 | 0 | 0 | 0 | 110.5 | L70 V71 I72 D76 L84 M88 L145 L146 L149 | L70-I74 PolarHBondContact O-N 2.96Å; V71-I74 WeakPolarHBondContact O-CB 3.28Å; V71-I74 PolarHBondContact O-N 3.46Å; I72-I74 PolarHBondContact O-N 3.5Å; I74-D76 VanDerWaalsContact C-N 3.33Å; I74-L84 HydrophobicContact CG1-CD2 4.26Å; I74-M88 HydrophobicContact CD1-CE 3.69Å; I74-M88 HydrophobicContact CD1-SD 3.69Å; I74-M88 HydrophobicContact CG1-CE 4.4Å; I74-M88 HydrophobicContact CG1-SD 3.81Å; I74-L145 HydrophobicContact CB-CB 4.27Å; I74-L145 HydrophobicContact CB-CD1 4.35Å; I74-L145 HydrophobicContact CD1-CB 4.19Å; I74-L145 HydrophobicContact CD1-CD1 4.49Å; I74-L145 HydrophobicContact CG2-CB 3.79Å; I74-L146 HydrophobicContact CD1-CD2 4.18Å; I74-L146 HydrophobicContact CD1-CG 4.01Å; I74-L146 HydrophobicContact CG2-CD2 4.43Å; I74-L149 HydrophobicContact CG2-CD1 3.67Å |
| 75 | G | 84 | Confident | 89.4 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -71 | -27 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I72 S73 | I72-G75 WeakPolarHBondContact O-CA 3.19Å; I72-G75 PolarHBondContact O-N 3.36Å; S73-G75 VanDerWaalsContact C-N 3.31Å |
| 76 | D | 82.9 | Confident | 89.2 | Confident | 130 Ų | 130 | 61 Ų | 61 | 70% | 0.695 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -80.8 | -19.4 | -179.8 | -63.8 | -32.7 | 0 | 0 | 0 | 113.3 | I74 | I74-D76 VanDerWaalsContact C-N 3.33Å |
| 77 | V | 78.1 | Confident | 89.2 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | trans | -103.1 | 120.9 | -177.6 | -167.7 | 0 | 0 | 0 | 0 | 111 | S73 V79 C81 | S73-V77 WeakPolarHBondContact O-CG2 3.4Å; V77-V79 HydrophobicContact CG1-CG2 4.43Å; V77-V79 WeakPolarHBondContact CG1-O 3.38Å; V77-V79 PolarHBondContact O-N 3.13Å; V77-C81 HydrophobicContact CG1-CB 4.44Å | ||
| 78 | S | 69.4 | Low | 89.1 | Confident | 115 Ų | 115 | 60.9 Ų | 60.9 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -69.3 | -10.7 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 79 | V | 68.5 | Low | 89.1 | Confident | 98 Ų | 98 | 58.6 Ų | 58.6 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -142.1 | 152.8 | -179 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | V77 C81 | V77-V79 HydrophobicContact CG1-CG2 4.43Å; V77-V79 WeakPolarHBondContact CG1-O 3.38Å; V77-V79 PolarHBondContact O-N 3.13Å; V79-C81 PolarHBondContact O-N 2.7Å; V79-C81 VanDerWaalsContact O-N 3.14Å |
| 80 | S | 74.9 | Confident | 89.1 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | trans | -63.1 | 115.8 | -179.5 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | R85 | S80-R85 PolarHBondContact OG-NE 2.86Š| ||
| 81 | C | 84.8 | Confident | 89.2 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | trans | -95.9 | 117.4 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | V77 V79 S83 L84 R85 | V77-C81 HydrophobicContact CG1-CB 4.44Å; V79-C81 PolarHBondContact O-N 2.7Å; V79-C81 VanDerWaalsContact O-N 3.14Å; C81-S83 PolarHBondContact O-N 3Å; C81-S83 PolarHBondContact SG-OG 2.9Å; C81-L84 HydrophobicContact CB-CB 3.94Å; C81-L84 PolarHBondContact O-N 3.35Å; C81-R85 PolarHBondContact O-N 2.85Å; C81-R85 VanDerWaalsContact O-N 3.16Å | ||
| 82 | P | 88.6 | Confident | 89.3 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -36.6 | -178.1 | -25.3 | 35.5 | 0 | 0 | 0 | 114.8 | R85 A86 | P82-R85 PolarHBondContact O-N 3.38Å; P82-A86 PolarHBondContact O-N 2.89Å |
| 83 | S | 91.6 | Very high | 89.5 | Confident | 81 Ų | 81 | 58.2 Ų | 58.2 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.9 | -40.5 | 178.9 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | C81 R85 A86 E87 | C81-S83 PolarHBondContact O-N 3Å; C81-S83 PolarHBondContact SG-OG 2.9Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 2.86Å; S83-A86 PolarHBondContact O-N 3.47Å; S83-E87 PolarHBondContact O-N 3.44Å |
| 84 | L | 93.3 | Very high | 89.7 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 171.3 | 177.7 | 60 | 0 | 0 | 0 | 110.6 | L70 I74 C81 A86 E87 M88 | L70-L84 HydrophobicContact CB-CD1 4.17Å; L70-L84 HydrophobicContact CD2-CD1 3.81Å; I74-L84 HydrophobicContact CG1-CD2 4.26Å; C81-L84 HydrophobicContact CB-CB 3.94Å; C81-L84 PolarHBondContact O-N 3.35Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.37Å; L84-E87 PolarHBondContact O-N 2.91Å; L84-M88 HydrophobicContact CD1-CG 4.24Å; L84-M88 HydrophobicContact CG-CG 4.44Å; L84-M88 HydrophobicContact CG-SD 4.35Å; L84-M88 WeakPolarHBondContact O-CB 3.42Å; L84-M88 VanDerWaalsContact O-CG 3.28Å; L84-M88 WeakPolarHBondContact O-CG 3.49Å; L84-M88 PolarHBondContact O-N 2.92Å |
| 85 | R | 93.6 | Very high | 90 | Very high | 20 Ų | 20 | 60 Ų | 60 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 178.3 | -68.2 | -170.9 | -63.3 | 143.8 | -7.3 | 113 | S80 C81 P82 S83 M88 H89 L146 Q194 V195 D198 | S80-R85 PolarHBondContact OG-NE 2.86Å; C81-R85 PolarHBondContact O-N 2.85Å; C81-R85 VanDerWaalsContact O-N 3.16Å; P82-R85 PolarHBondContact O-N 3.38Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 2.86Å; R85-M88 PolarHBondContact O-N 3.21Å; R85-H89 WeakPolarHBondContact O-CB 3.47Å; R85-H89 PolarHBondContact O-N 3.08Å; R85-L146 HydrophobicContact CG-CD2 4.41Å; R85-Q194 VanDerWaalsContact NH1-CG 3.33Å; R85-V195 VanDerWaalsContact NH1-CG2 3.31Å; R85-D198 WeakPolarHBondContact CD-OD2 3.38Å; R85-D198 IonicContact CZ-OD2 3.71Å; R85-D198 IonicContact NE-OD2 2.67Å; R85-D198 IonicContact NH1-OD2 2.86Å; R85-D198 PolarHBondContact NH1-OD2 3.46Å |
| 86 | A | 95.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | P82 S83 L84 H89 K90 | P82-A86 PolarHBondContact O-N 2.89Å; S83-A86 PolarHBondContact O-N 3.47Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.37Å; A86-H89 PolarHBondContact O-N 3.42Å; A86-K90 WeakPolarHBondContact O-CB 3.41Å; A86-K90 PolarHBondContact O-N 3.16Å |
| 87 | E | 97.4 | Very high | 91.4 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 175.5 | -73.9 | -59.7 | 135.5 | 0 | 0 | 112.2 | L70 S83 L84 K90 T91 | L70-E87 HydrophobicContact CD1-CB 4.43Å; S83-E87 PolarHBondContact O-N 3.44Å; L84-E87 PolarHBondContact O-N 2.91Å; E87-K90 IonicContact OE1-NZ 2.69Å; E87-K90 PolarHBondContact OE1-NZ 3.46Å; E87-K90 IonicContact OE2-NZ 2.7Å; E87-K90 PolarHBondContact OE2-NZ 3.49Å; E87-T91 WeakPolarHBondContact O-CB 3.38Å; E87-T91 PolarHBondContact O-N 3.28Å; E87-T91 PolarHBondContact O-OG1 3.23Å |
| 88 | M | 97.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 170.7 | -76.6 | -169.2 | 78.9 | 0 | 0 | 111.9 | Y67 L70 V71 I74 L84 R85 T91 R92 | Y67-M88 HydrophobicContact CE2-CB 4.43Å; Y67-M88 HydrophobicContact CE2-CE 3.88Å; L70-M88 HydrophobicContact CB-CG 3.63Å; L70-M88 HydrophobicContact CB-SD 4.45Å; L70-M88 HydrophobicContact CD1-CG 4.11Å; L70-M88 HydrophobicContact CG-CG 4.42Å; V71-M88 HydrophobicContact CG2-CE 3.71Å; I74-M88 HydrophobicContact CD1-CE 3.69Å; I74-M88 HydrophobicContact CD1-SD 3.69Å; I74-M88 HydrophobicContact CG1-CE 4.4Å; I74-M88 HydrophobicContact CG1-SD 3.81Å; L84-M88 HydrophobicContact CD1-CG 4.24Å; L84-M88 HydrophobicContact CG-CG 4.44Å; L84-M88 HydrophobicContact CG-SD 4.35Å; L84-M88 WeakPolarHBondContact O-CB 3.42Å; L84-M88 VanDerWaalsContact O-CG 3.28Å; L84-M88 WeakPolarHBondContact O-CG 3.49Å; L84-M88 PolarHBondContact O-N 2.92Å; R85-M88 PolarHBondContact O-N 3.21Å; M88-T91 PolarHBondContact O-N 2.95Å; M88-R92 WeakPolarHBondContact O-CB 3.4Å; M88-R92 PolarHBondContact O-N 2.99Å |
| 89 | H | 97.9 | Very high | 93.8 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -54.4 | 176.7 | 176.2 | -72.9 | 0 | 0 | 0 | 111 | R85 A86 T91 R92 T93 | R85-H89 WeakPolarHBondContact O-CB 3.47Å; R85-H89 PolarHBondContact O-N 3.08Å; A86-H89 PolarHBondContact O-N 3.42Å; H89-T91 VanDerWaalsContact C-N 3.34Å; H89-T91 PolarHBondContact O-N 3.3Å; H89-R92 WeakPolarHBondContact O-CB 3.28Å; H89-R92 PolarHBondContact O-N 3.04Å; H89-R92 VanDerWaalsContact O-N 3.14Å; H89-T93 PolarHBondContact CE1-OG1 3.47Å; H89-T93 PolarHBondContact O-N 3.16Å; H89-T93 PolarHBondContact O-OG1 3.4Å; H89-T93 VanDerWaalsContact O-OG1 3.13Å |
| 90 | K | 98.4 | Very high | 95.2 | Very high | 123 Ų | 123 | 50.3 Ų | 50.3 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.1 | -46 | 178 | 172.9 | -178.2 | 161.3 | -145.1 | 0 | 112.2 | A86 E87 R92 K94 | A86-K90 WeakPolarHBondContact O-CB 3.41Å; A86-K90 PolarHBondContact O-N 3.16Å; E87-K90 IonicContact OE1-NZ 2.69Å; E87-K90 PolarHBondContact OE1-NZ 3.46Å; E87-K90 IonicContact OE2-NZ 2.7Å; E87-K90 PolarHBondContact OE2-NZ 3.49Å; K90-R92 VanDerWaalsContact C-N 3.35Å; K90-K94 PolarHBondContact O-N 3.05Å; K90-K94 VanDerWaalsContact O-N 3.08Å |
| 91 | T | 98.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 177.3 | -61 | 0 | 0 | 0 | 0 | 111.3 | Q63 L66 Y67 L70 E87 M88 H89 G95 | Q63-T91 VanDerWaalsContact NE2-CA 3.32Å; Q63-T91 PolarHBondContact NE2-O 3.49Å; L66-T91 HydrophobicContact CB-CG2 4.3Å; Y67-T91 HydrophobicContact CD2-CG2 3.96Å; Y67-T91 HydrophobicContact CG-CG2 4.42Å; L70-T91 HydrophobicContact CD1-CG2 4.02Å; L70-T91 WeakPolarHBondContact CD1-OG1 3.28Å; E87-T91 WeakPolarHBondContact O-CB 3.38Å; E87-T91 PolarHBondContact O-N 3.28Å; E87-T91 PolarHBondContact O-OG1 3.23Å; M88-T91 PolarHBondContact O-N 2.95Å; H89-T91 VanDerWaalsContact C-N 3.34Å; H89-T91 PolarHBondContact O-N 3.3Å; T91-G95 PolarHBondContact O-N 2.91Å |
| 92 | R | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -51.1 | 178.2 | -165.7 | -176.4 | 72.1 | -121.9 | -15.6 | 111.7 | Y67 M88 H89 K90 K94 G95 C96 Y135 M139 T202 D205 | Y67-R92 HydrophobicContact CD2-CB 4.36Å; Y67-R92 HydrophobicContact CE2-CB 3.84Å; Y67-R92 HydrophobicContact CE2-CG 4.23Å; M88-R92 WeakPolarHBondContact O-CB 3.4Å; M88-R92 PolarHBondContact O-N 2.99Å; H89-R92 WeakPolarHBondContact O-CB 3.28Å; H89-R92 PolarHBondContact O-N 3.04Å; H89-R92 VanDerWaalsContact O-N 3.14Å; K90-R92 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.01Å; R92-G95 PolarHBondContact O-N 2.95Å; R92-G95 VanDerWaalsContact O-N 3.14Å; R92-C96 PolarHBondContact O-N 3Å; R92-C96 PolarHBondContact O-SG 3.46Å; R92-Y135 VanDerWaalsContact CA-OH 3.23Å; R92-Y135 WeakPolarHBondContact CA-OH 3.41Å; R92-Y135 PolarHBondContact O-OH 3.4Å; R92-M139 HydrophobicContact CG-CE 3.6Å; R92-T202 PolarHBondContact NH1-OG1 3.27Å; R92-D205 IonicContact CZ-OD2 3.79Å; R92-D205 IonicContact NE-OD2 2.68Å; R92-D205 PolarHBondContact NE-OD2 3.27Å; R92-D205 IonicContact NH2-OD2 3.55Å; R92-D205 PolarHBondContact NH2-OD2 3Å |
| 93 | T | 98.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.5 | -43.5 | -180 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | H89 G95 C96 E97 | H89-T93 PolarHBondContact CE1-OG1 3.47Å; H89-T93 PolarHBondContact O-N 3.16Å; H89-T93 PolarHBondContact O-OG1 3.4Å; H89-T93 VanDerWaalsContact O-OG1 3.13Å; T93-G95 PolarHBondContact O-N 3.46Å; T93-C96 PolarHBondContact O-N 2.88Å; T93-E97 PolarHBondContact O-N 2.96Å |
| 94 | K | 98.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 50.5 Ų | 50.5 | 38% | 0.378 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59 | -47.2 | 172.8 | 180 | -178.3 | 168.5 | -142.2 | 0 | 110.9 | E59 Q63 K90 R92 C96 E97 M98 | E59-K94 IonicContact OE1-NZ 3.87Å; E59-K94 PolarHBondContact OE1-NZ 3.34Å; Q63-K94 HydrophobicContact CG-CG 4.49Å; K90-K94 PolarHBondContact O-N 3.05Å; K90-K94 VanDerWaalsContact O-N 3.08Å; R92-K94 PolarHBondContact O-N 3.01Å; K94-C96 VanDerWaalsContact C-N 3.35Å; K94-C96 PolarHBondContact O-N 3.07Å; K94-E97 PolarHBondContact O-N 3.42Å; K94-M98 HydrophobicContact CG-CG 4.2Å; K94-M98 HydrophobicContact CG-SD 4.24Å; K94-M98 WeakPolarHBondContact O-CB 3.48Å; K94-M98 VanDerWaalsContact O-CG 3.26Å; K94-M98 WeakPolarHBondContact O-CG 3.11Å; K94-M98 PolarHBondContact O-N 2.96Å |
| 95 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F60 T91 R92 T93 M98 A99 Y135 | F60-G95 VanDerWaalsContact CE2-O 3.31Å; F60-G95 WeakPolarHBondContact CE2-O 3.46Å; T91-G95 PolarHBondContact O-N 2.91Å; R92-G95 PolarHBondContact O-N 2.95Å; R92-G95 VanDerWaalsContact O-N 3.14Å; T93-G95 PolarHBondContact O-N 3.46Å; G95-M98 PolarHBondContact O-N 2.88Å; G95-A99 WeakPolarHBondContact O-CB 3.27Å; G95-A99 PolarHBondContact O-N 3.42Å; G95-Y135 WeakPolarHBondContact CA-OH 3.46Å |
| 96 | C | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 8% | 0.081 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 176.4 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | R92 T93 K94 A99 R100 M139 M209 | R92-C96 PolarHBondContact O-N 3Å; R92-C96 PolarHBondContact O-SG 3.46Å; T93-C96 PolarHBondContact O-N 2.88Å; K94-C96 VanDerWaalsContact C-N 3.35Å; K94-C96 PolarHBondContact O-N 3.07Å; C96-A99 PolarHBondContact O-N 3.16Å; C96-R100 WeakPolarHBondContact O-CG 3.43Å; C96-R100 PolarHBondContact O-N 3.27Å; C96-R100 VanDerWaalsContact O-N 3.16Å; C96-M139 VanDerWaalsContact SG-CE 3.6Å; C96-M209 HydrophobicContact CB-CE 3.86Å; C96-M209 HydrophobicContact CB-SD 4.3Å |
| 97 | E | 98.5 | Very high | 97.5 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 177.5 | 179.5 | 54.8 | -156.8 | 0 | 0 | 111.3 | T93 K94 A99 R100 Q101 | T93-E97 PolarHBondContact O-N 2.96Å; K94-E97 PolarHBondContact O-N 3.42Å; E97-A99 PolarHBondContact O-N 2.69Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-Q101 WeakPolarHBondContact O-CB 3.3Å; E97-Q101 PolarHBondContact O-N 3.17Å |
| 98 | M | 98.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.9 | -74.9 | -155.9 | 73.3 | 0 | 0 | 113.3 | L56 E59 F60 K94 G95 Q101 A102 | L56-M98 HydrophobicContact CD2-CE 4.12Å; E59-M98 HydrophobicContact CB-CE 3.53Å; E59-M98 HydrophobicContact CB-SD 4.48Å; E59-M98 HydrophobicContact CG-CE 3.25Å; E59-M98 HydrophobicContact CG-SD 3.67Å; F60-M98 HydrophobicContact CB-CB 4.32Å; F60-M98 HydrophobicContact CB-CE 4.45Å; F60-M98 HydrophobicContact CD2-CB 4.13Å; K94-M98 HydrophobicContact CG-CG 4.2Å; K94-M98 HydrophobicContact CG-SD 4.24Å; K94-M98 WeakPolarHBondContact O-CB 3.48Å; K94-M98 VanDerWaalsContact O-CG 3.26Å; K94-M98 WeakPolarHBondContact O-CG 3.11Å; K94-M98 PolarHBondContact O-N 2.96Å; G95-M98 PolarHBondContact O-N 2.88Å; M98-Q101 PolarHBondContact O-N 2.79Å; M98-A102 VanDerWaalsContact O-CB 3.28Å; M98-A102 WeakPolarHBondContact O-CB 3.38Å; M98-A102 PolarHBondContact O-N 3.41Å |
| 99 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F60 G95 C96 E97 A102 H103 L132 M209 L212 | F60-A99 HydrophobicContact CD2-CB 4.25Å; F60-A99 HydrophobicContact CE1-CB 4.06Å; F60-A99 HydrophobicContact CE2-CB 3.8Å; F60-A99 HydrophobicContact CZ-CB 3.7Å; G95-A99 WeakPolarHBondContact O-CB 3.27Å; G95-A99 PolarHBondContact O-N 3.42Å; C96-A99 PolarHBondContact O-N 3.16Å; E97-A99 PolarHBondContact O-N 2.69Å; A99-A102 PolarHBondContact O-N 2.88Å; A99-H103 WeakPolarHBondContact O-CB 3.31Å; A99-H103 PolarHBondContact O-N 2.72Å; A99-L132 HydrophobicContact CB-CD2 3.97Å; A99-M209 HydrophobicContact CB-SD 3.8Å; A99-L212 HydrophobicContact CB-CD2 3.91Å |
| 100 | R | 98.5 | Very high | 96 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 175.7 | -71.4 | 171.3 | 54.8 | 80.1 | 14.5 | 111.6 | C96 E97 H103 Q104 E208 M209 L212 | C96-R100 WeakPolarHBondContact O-CG 3.43Å; C96-R100 PolarHBondContact O-N 3.27Å; C96-R100 VanDerWaalsContact O-N 3.16Å; E97-R100 PolarHBondContact O-N 2.86Å; R100-H103 PolarHBondContact O-N 2.71Å; R100-Q104 WeakPolarHBondContact O-CB 3.39Å; R100-Q104 PolarHBondContact O-N 2.95Å; R100-E208 WeakPolarHBondContact CD-OE1 3.45Å; R100-E208 IonicContact CZ-OE1 2.72Å; R100-E208 IonicContact NE-OE1 3.65Å; R100-E208 IonicContact NH1-OE1 3.43Å; R100-E208 PolarHBondContact NH1-OE1 3.29Å; R100-M209 HydrophobicContact CG-CE 4.36Å; R100-L212 HydrophobicContact CG-CD2 4.07Å |
| 101 | Q | 98.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 34% | 0.341 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 179.9 | -163.9 | -172.4 | 37.7 | 0 | 0 | 111.9 | L56 E97 M98 Q104 K105 | L56-Q101 HydrophobicContact CD1-CB 4.28Å; L56-Q101 HydrophobicContact CD1-CG 3.73Å; L56-Q101 VanDerWaalsContact CD2-OE1 3.25Å; E97-Q101 WeakPolarHBondContact O-CB 3.3Å; E97-Q101 PolarHBondContact O-N 3.17Å; M98-Q101 PolarHBondContact O-N 2.79Å; Q101-Q104 PolarHBondContact O-N 3.44Å; Q101-K105 PolarHBondContact O-N 2.83Å |
| 102 | A | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L56 V57 M98 A99 Q104 K105 L106 L128 | L56-A102 HydrophobicContact CB-CB 4.23Å; V57-A102 HydrophobicContact CG2-CB 4.1Å; M98-A102 VanDerWaalsContact O-CB 3.28Å; M98-A102 WeakPolarHBondContact O-CB 3.38Å; M98-A102 PolarHBondContact O-N 3.41Å; A99-A102 PolarHBondContact O-N 2.88Å; A102-Q104 PolarHBondContact O-N 3.48Å; A102-K105 PolarHBondContact O-N 3.48Å; A102-L106 WeakPolarHBondContact O-CB 3.42Å; A102-L106 PolarHBondContact O-N 3.08Å; A102-L128 HydrophobicContact CB-CD1 3.95Å; A102-L128 HydrophobicContact CB-CD2 4.06Å |
| 103 | H | 97.2 | Very high | 91.1 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 13% | 0.125 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 174.6 | 175.2 | -74.2 | 0 | 0 | 0 | 111.9 | A99 R100 L106 A107 L128 L212 | A99-H103 WeakPolarHBondContact O-CB 3.31Å; A99-H103 PolarHBondContact O-N 2.72Å; R100-H103 PolarHBondContact O-N 2.71Å; H103-L106 PolarHBondContact O-N 3.49Å; H103-A107 WeakPolarHBondContact O-CB 3.45Å; H103-A107 PolarHBondContact O-N 3.01Å; H103-L128 HydrophobicContact CB-CD2 4.19Å; H103-L212 HydrophobicContact CB-CD1 3.87Å; H103-L212 HydrophobicContact CB-CD2 4.5Å; H103-L212 HydrophobicContact CB-CG 4.39Å |
| 104 | Q | 95.8 | Very high | 89.2 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.4 | -45.5 | 180 | -173.6 | -177.8 | 5.5 | 0 | 0 | 112.3 | R100 Q101 A102 L106 A108 | R100-Q104 WeakPolarHBondContact O-CB 3.39Å; R100-Q104 PolarHBondContact O-N 2.95Å; Q101-Q104 PolarHBondContact O-N 3.44Å; A102-Q104 PolarHBondContact O-N 3.48Å; Q104-L106 VanDerWaalsContact C-N 3.35Å; Q104-A108 WeakPolarHBondContact O-CB 3.34Å; Q104-A108 PolarHBondContact O-N 2.89Å; Q104-A108 VanDerWaalsContact O-N 3.16Å |
| 105 | K | 95 | Very high | 87.6 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 27% | 0.265 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 175.5 | -74.4 | -153.1 | -172.4 | 176.2 | 0 | 111.4 | D52 C53 L56 Q101 A102 A108 I109 | D52-K105 HydrophobicContact CB-CD 4.26Å; D52-K105 IonicContact OD2-NZ 3.73Å; D52-K105 PolarHBondContact OD2-NZ 3.34Å; C53-K105 HydrophobicContact CB-CB 4.27Å; L56-K105 HydrophobicContact CD1-CD 3.65Å; L56-K105 HydrophobicContact CD1-CG 4.06Å; Q101-K105 PolarHBondContact O-N 2.83Å; A102-K105 PolarHBondContact O-N 3.48Å; K105-A108 PolarHBondContact O-N 3.41Å; K105-I109 PolarHBondContact O-N 3.17Å |
| 106 | L | 94.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -51.6 | 179.6 | -174 | 57 | 0 | 0 | 0 | 111.4 | A102 H103 Q104 A108 I109 S110 I121 L124 Y125 L128 L216 | A102-L106 WeakPolarHBondContact O-CB 3.42Å; A102-L106 PolarHBondContact O-N 3.08Å; H103-L106 PolarHBondContact O-N 3.49Å; Q104-L106 VanDerWaalsContact C-N 3.35Å; L106-A108 PolarHBondContact O-N 3.14Å; L106-I109 HydrophobicContact CD1-CD1 4.22Å; L106-I109 HydrophobicContact CD1-CG1 4.31Å; L106-I109 WeakPolarHBondContact O-CG1 3.34Å; L106-I109 PolarHBondContact O-N 2.94Å; L106-S110 PolarHBondContact O-N 3.4Å; L106-S110 VanDerWaalsContact O-N 3.15Å; L106-S110 PolarHBondContact O-OG 3.44Å; L106-I121 HydrophobicContact CD1-CG2 3.99Å; L106-L124 HydrophobicContact CD1-CB 3.7Å; L106-L124 HydrophobicContact CD1-CD1 4.23Å; L106-L124 HydrophobicContact CD2-CB 4.35Å; L106-Y125 HydrophobicContact CD1-CD2 3.97Å; L106-Y125 HydrophobicContact CD1-CE2 3.88Å; L106-Y125 HydrophobicContact CD2-CD1 4.04Å; L106-Y125 HydrophobicContact CD2-CD2 3.67Å; L106-Y125 HydrophobicContact CD2-CE1 4.21Å; L106-Y125 HydrophobicContact CD2-CE2 3.83Å; L106-Y125 HydrophobicContact CD2-CG 3.78Å; L106-Y125 HydrophobicContact CG-CD2 3.85Å; L106-Y125 HydrophobicContact CG-CE2 3.55Å; L106-Y125 HydrophobicContact CG-CG 4.42Å; L106-L128 HydrophobicContact CD2-CD2 3.98Å; L106-L216 HydrophobicContact CD2-CD1 4.16Å |
| 107 | A | 91.7 | Very high | 85.3 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.6 | -31.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H103 I109 | H103-A107 WeakPolarHBondContact O-CB 3.45Å; H103-A107 PolarHBondContact O-N 3.01Å; A107-I109 VanDerWaalsContact C-N 3.35Å |
| 108 | A | 90.5 | Very high | 84.6 | Confident | 84 Ų | 84 | 68 Ų | 68 | 69% | 0.694 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -73.1 | -21.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q104 K105 L106 | Q104-A108 WeakPolarHBondContact O-CB 3.34Å; Q104-A108 PolarHBondContact O-N 2.89Å; Q104-A108 VanDerWaalsContact O-N 3.16Å; K105-A108 PolarHBondContact O-N 3.41Å; L106-A108 PolarHBondContact O-N 3.14Å |
| 109 | I | 89.1 | Confident | 84.1 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -100.5 | -14 | 178.3 | 64.1 | 172.8 | 0 | 0 | 0 | 114 | A49 L50 C53 K105 L106 A107 G111 I121 | A49-I109 HydrophobicContact CB-CG2 3.62Å; L50-I109 HydrophobicContact CB-CD1 4.12Å; L50-I109 HydrophobicContact CD1-CD1 4.41Å; L50-I109 HydrophobicContact CG-CD1 4.37Å; C53-I109 HydrophobicContact CB-CD1 3.89Å; K105-I109 PolarHBondContact O-N 3.17Å; L106-I109 HydrophobicContact CD1-CD1 4.22Å; L106-I109 HydrophobicContact CD1-CG1 4.31Å; L106-I109 WeakPolarHBondContact O-CG1 3.34Å; L106-I109 PolarHBondContact O-N 2.94Å; A107-I109 VanDerWaalsContact C-N 3.35Å; I109-G111 PolarHBondContact O-N 3.34Å; I109-I121 HydrophobicContact CD1-CG1 4.3Å; I109-I121 HydrophobicContact CG1-CD1 4.48Å; I109-I121 WeakPolarHBondContact O-CD1 3.43Å |
| 110 | S | 83.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 72.8 Ų | 72.8 | 13% | 0.133 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -60.3 | -26.4 | -179.1 | -58.6 | 0 | 0 | 0 | 0 | 114.6 | L106 Y125 | L106-S110 PolarHBondContact O-N 3.4Å; L106-S110 VanDerWaalsContact O-N 3.15Å; L106-S110 PolarHBondContact O-OG 3.44Å; S110-Y125 VanDerWaalsContact OG-CE2 3.26Å; S110-Y125 WeakPolarHBondContact OG-CE2 3.47Å; S110-Y125 PolarHBondContact OG-OH 3.19Å |
| 111 | G | 70.9 | Confident | 83.3 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | trans | 73.3 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I109 | I109-G111 PolarHBondContact O-N 3.34Š| ||
| 112 | P | 63.8 | Low | 83 | Confident | 109 Ų | 109 | 65 Ų | 65 | 71% | 0.708 | 38% | 0.377 | S | S | * | . | trans | -72.1 | 147.7 | 171.8 | 30.4 | -33.5 | 0 | 0 | 0 | 111.5 | D114 G115 | P112-D114 PolarHBondContact O-N 3.38Å; P112-G115 PolarHBondContact O-N 3.44Å | ||
| 113 | E | 56.6 | Low | 82.8 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.6 | -170 | -62.3 | -82.8 | 120.7 | 0 | 0 | 115.8 | G115 L222 | E113-G115 VanDerWaalsContact C-N 3.33Å; E113-G115 PolarHBondContact O-N 3.46Å; E113-L222 WeakPolarHBondContact OE2-CG 3.45Å |
| 114 | D | 59.2 | Low | 82.7 | Confident | 170 Ų | 170 | 71.3 Ų | 71.3 | 91% | 0.909 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.5 | -175.6 | -64.3 | -51.4 | 0 | 0 | 0 | 114.8 | P112 | P112-D114 PolarHBondContact O-N 3.38Š|
| 115 | G | 65.4 | Low | 82.7 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -97.1 | 158.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P112 E113 I117 | P112-G115 PolarHBondContact O-N 3.44Å; E113-G115 VanDerWaalsContact C-N 3.33Å; E113-G115 PolarHBondContact O-N 3.46Å; G115-I117 PolarHBondContact O-N 2.88Å |
| 116 | E | 70.6 | Confident | 82.7 | Confident | 207 Ų | 207 | 65.7 Ų | 65.7 | 97% | 0.967 | 38% | 0.377 | S | S | * | . | trans | -66.2 | 102.4 | 165 | -77.4 | -166.3 | 158 | 0 | 0 | 110 | H118 | E116-H118 PolarHBondContact O-N 3.28Š| ||
| 117 | I | 78.7 | Confident | 82.8 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 21% | 0.205 | 39% | 0.393 | C | S | . | . | trans | -68.1 | 124.9 | 179.2 | -61.4 | 174.1 | 0 | 0 | 0 | 109.6 | G115 I121 P221 | G115-I117 PolarHBondContact O-N 2.88Å; I117-I121 HydrophobicContact CG2-CB 4.24Å; I117-I121 HydrophobicContact CG2-CG2 4.3Å; I117-P221 HydrophobicContact CD1-CB 3.67Å; I117-P221 HydrophobicContact CD1-CG 4.09Å; I117-P221 HydrophobicContact CG2-CB 4.31Å; I117-P221 HydrophobicContact CG2-CG 4.07Å | ||
| 118 | H | 82.8 | Confident | 83.1 | Confident | 96 Ų | 96 | 67 Ų | 67 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | trans | -62.1 | 129.6 | -178.3 | -172.7 | -97.5 | 0 | 0 | 0 | 110.8 | E116 E120 I121 | E116-H118 PolarHBondContact O-N 3.28Å; H118-E120 WeakPolarHBondContact ND1-CB 3.41Å; H118-E120 PolarHBondContact ND1-N 3.16Å; H118-E120 PolarHBondContact O-N 2.99Å; H118-I121 HydrophobicContact CB-CD1 3.93Å; H118-I121 HydrophobicContact CB-CG1 4.16Å; H118-I121 VanDerWaalsContact O-CB 3.3Å; H118-I121 WeakPolarHBondContact O-CB 3.47Å; H118-I121 PolarHBondContact O-N 2.85Å | ||
| 119 | P | 87.2 | Confident | 83.4 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -22.6 | -169.5 | 23.7 | -34.9 | 0 | 0 | 0 | 114.3 | I121 C122 R123 | P119-I121 VanDerWaalsContact C-N 3.34Å; P119-C122 PolarHBondContact O-N 2.93Å; P119-R123 PolarHBondContact O-N 3.42Å |
| 120 | E | 90.6 | Very high | 83.8 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 15% | 0.15 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.2 | -30.6 | 172.8 | -163.9 | 75.6 | 168 | 0 | 0 | 112.2 | L50 K54 H118 R123 L124 | L50-E120 HydrophobicContact CD1-CB 4.33Å; L50-E120 HydrophobicContact CD2-CG 4.27Å; K54-E120 IonicContact NZ-OE1 2.69Å; K54-E120 PolarHBondContact NZ-OE1 2.69Å; H118-E120 WeakPolarHBondContact ND1-CB 3.41Å; H118-E120 PolarHBondContact ND1-N 3.16Å; H118-E120 PolarHBondContact O-N 2.99Å; E120-R123 WeakPolarHBondContact O-CB 3.45Å; E120-R123 PolarHBondContact O-N 3.18Å; E120-R123 VanDerWaalsContact OE2-CD 3.23Å; E120-R123 WeakPolarHBondContact OE2-CD 3.27Å; E120-R123 IonicContact OE2-CZ 2.69Å; E120-R123 IonicContact OE2-NE 2.71Å; E120-R123 IonicContact OE2-NH1 3.67Å; E120-R123 PolarHBondContact OE2-NH1 2.94Å; E120-L124 WeakPolarHBondContact O-CG 3.37Å; E120-L124 PolarHBondContact O-N 2.76Å |
| 121 | I | 90.9 | Very high | 84.5 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.7 | -62.7 | 173.2 | 0 | 0 | 0 | 109.2 | L50 L106 I109 I117 H118 P119 R123 L124 Y125 | L50-I121 HydrophobicContact CD1-CD1 4.47Å; L50-I121 HydrophobicContact CD1-CG1 3.78Å; L106-I121 HydrophobicContact CD1-CG2 3.99Å; I109-I121 HydrophobicContact CD1-CG1 4.3Å; I109-I121 HydrophobicContact CG1-CD1 4.48Å; I109-I121 WeakPolarHBondContact O-CD1 3.43Å; I117-I121 HydrophobicContact CG2-CB 4.24Å; I117-I121 HydrophobicContact CG2-CG2 4.3Å; H118-I121 HydrophobicContact CB-CD1 3.93Å; H118-I121 HydrophobicContact CB-CG1 4.16Å; H118-I121 VanDerWaalsContact O-CB 3.3Å; H118-I121 WeakPolarHBondContact O-CB 3.47Å; H118-I121 PolarHBondContact O-N 2.85Å; P119-I121 VanDerWaalsContact C-N 3.34Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.92Å; I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.44Å; I121-Y125 HydrophobicContact CG2-CD2 3.91Å; I121-Y125 HydrophobicContact CG2-CE2 3.76Å; I121-Y125 WeakPolarHBondContact O-CD2 3.39Å; I121-Y125 PolarHBondContact O-N 2.88Å |
| 122 | C | 91.3 | Very high | 85.8 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 12% | 0.122 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 175.1 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | P119 Y125 I126 L224 | P119-C122 PolarHBondContact O-N 2.93Å; C122-Y125 PolarHBondContact O-N 3.11Å; C122-I126 WeakPolarHBondContact O-CG1 3.31Å; C122-I126 PolarHBondContact O-N 3.11Å; C122-I126 VanDerWaalsContact O-N 3.13Å; C122-L224 HydrophobicContact CB-CD1 3.88Å; C122-L224 HydrophobicContact CB-CD2 4.3Å; C122-L224 HydrophobicContact CB-CG 4.22Å |
| 123 | R | 93.9 | Very high | 87.5 | Confident | 156 Ų | 156 | 60.9 Ų | 60.9 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.2 | -39.5 | 174.1 | -69 | 171.1 | 179.9 | 160 | -1.6 | 112.5 | P119 E120 I121 I126 Q127 | P119-R123 PolarHBondContact O-N 3.42Å; E120-R123 WeakPolarHBondContact O-CB 3.45Å; E120-R123 PolarHBondContact O-N 3.18Å; E120-R123 VanDerWaalsContact OE2-CD 3.23Å; E120-R123 WeakPolarHBondContact OE2-CD 3.27Å; E120-R123 IonicContact OE2-CZ 2.69Å; E120-R123 IonicContact OE2-NE 2.71Å; E120-R123 IonicContact OE2-NH1 3.67Å; E120-R123 PolarHBondContact OE2-NH1 2.94Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.92Å; R123-I126 PolarHBondContact O-N 2.76Å; R123-Q127 WeakPolarHBondContact O-CB 3.43Å; R123-Q127 PolarHBondContact O-N 3.42Å |
| 124 | L | 95.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 176.3 | -68.2 | 173.8 | 0 | 0 | 0 | 112.1 | C53 K54 V57 L106 E120 I121 Q127 L128 | C53-L124 HydrophobicContact CB-CD1 4.31Å; K54-L124 HydrophobicContact CB-CD1 4.48Å; K54-L124 HydrophobicContact CB-CD2 4Å; K54-L124 HydrophobicContact CG-CD2 4.2Å; V57-L124 HydrophobicContact CB-CD2 4.28Å; V57-L124 HydrophobicContact CG2-CD2 4.29Å; L106-L124 HydrophobicContact CD1-CB 3.7Å; L106-L124 HydrophobicContact CD1-CD1 4.23Å; L106-L124 HydrophobicContact CD2-CB 4.35Å; E120-L124 WeakPolarHBondContact O-CG 3.37Å; E120-L124 PolarHBondContact O-N 2.76Å; I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.44Å; L124-Q127 PolarHBondContact O-N 3.17Å; L124-L128 VanDerWaalsContact O-CB 3.23Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 PolarHBondContact O-N 3.4Å |
| 125 | Y | 95.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -51 | 171.4 | -89.4 | -89.4 | 0 | 0 | 0 | 111.8 | L106 S110 I121 C122 Q127 L128 Q129 L216 T219 M220 P221 | L106-Y125 HydrophobicContact CD1-CD2 3.97Å; L106-Y125 HydrophobicContact CD1-CE2 3.88Å; L106-Y125 HydrophobicContact CD2-CD1 4.04Å; L106-Y125 HydrophobicContact CD2-CD2 3.67Å; L106-Y125 HydrophobicContact CD2-CE1 4.21Å; L106-Y125 HydrophobicContact CD2-CE2 3.83Å; L106-Y125 HydrophobicContact CD2-CG 3.78Å; L106-Y125 HydrophobicContact CG-CD2 3.85Å; L106-Y125 HydrophobicContact CG-CE2 3.55Å; L106-Y125 HydrophobicContact CG-CG 4.42Å; S110-Y125 VanDerWaalsContact OG-CE2 3.26Å; S110-Y125 WeakPolarHBondContact OG-CE2 3.47Å; S110-Y125 PolarHBondContact OG-OH 3.19Å; I121-Y125 HydrophobicContact CG2-CD2 3.91Å; I121-Y125 HydrophobicContact CG2-CE2 3.76Å; I121-Y125 WeakPolarHBondContact O-CD2 3.39Å; I121-Y125 PolarHBondContact O-N 2.88Å; C122-Y125 PolarHBondContact O-N 3.11Å; Y125-Q127 PolarHBondContact O-N 3.24Å; Y125-L128 PolarHBondContact O-N 3.49Å; Y125-Q129 VanDerWaalsContact O-CB 3.27Å; Y125-Q129 WeakPolarHBondContact O-CB 3.48Å; Y125-Q129 PolarHBondContact O-N 3.36Å; Y125-L216 HydrophobicContact CD1-CD1 3.52Å; Y125-L216 HydrophobicContact CD1-CG 4.03Å; Y125-L216 HydrophobicContact CE1-CD1 3.68Å; Y125-L216 HydrophobicContact CE1-CG 4.43Å; Y125-T219 VanDerWaalsContact CE1-O 3.3Å; Y125-T219 WeakPolarHBondContact CE1-O 3.49Å; Y125-T219 VanDerWaalsContact CZ-O 3.28Å; Y125-T219 PolarHBondContact OH-O 3.43Å; Y125-M220 HydrophobicContact CD1-CB 4.1Å; Y125-M220 HydrophobicContact CD1-CE 4.26Å; Y125-M220 HydrophobicContact CD1-CG 3.86Å; Y125-M220 HydrophobicContact CE1-CB 4.39Å; Y125-M220 HydrophobicContact CG-CG 4.14Å; Y125-P221 HydrophobicContact CD2-CG 4.02Å; Y125-P221 HydrophobicContact CE2-CG 4Å |
| 126 | I | 94.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 41% | 0.41 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 177.7 | -64.5 | 163.2 | 0 | 0 | 0 | 110.2 | C122 R123 L128 Q129 C130 L224 | C122-I126 WeakPolarHBondContact O-CG1 3.31Å; C122-I126 PolarHBondContact O-N 3.11Å; C122-I126 VanDerWaalsContact O-N 3.13Å; R123-I126 PolarHBondContact O-N 2.76Å; I126-L128 PolarHBondContact O-N 2.96Å; I126-Q129 PolarHBondContact O-N 3.43Å; I126-C130 PolarHBondContact O-N 3.2Å; I126-C130 PolarHBondContact O-SG 2.94Å; I126-L224 HydrophobicContact CD1-CD2 3.87Å; I126-L224 HydrophobicContact CG1-CD1 4.2Å; I126-L224 HydrophobicContact CG1-CD2 4.26Å |
| 127 | Q | 96.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.1 | -45.5 | -178.1 | -170.8 | 178.7 | 5 | 0 | 0 | 111.8 | V57 R123 L124 Y125 Q129 C130 C131 | V57-Q127 HydrophobicContact CG1-CB 3.93Å; V57-Q127 HydrophobicContact CG1-CG 3.59Å; R123-Q127 WeakPolarHBondContact O-CB 3.43Å; R123-Q127 PolarHBondContact O-N 3.42Å; L124-Q127 PolarHBondContact O-N 3.17Å; Y125-Q127 PolarHBondContact O-N 3.24Å; Q127-Q129 VanDerWaalsContact C-N 3.35Å; Q127-C130 PolarHBondContact O-N 2.92Å; Q127-C131 WeakPolarHBondContact O-CB 3.17Å; Q127-C131 PolarHBondContact O-N 2.8Å; Q127-C131 PolarHBondContact O-SG 2.79Å |
| 128 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 177.7 | -177.9 | 57.5 | 0 | 0 | 0 | 111.9 | V57 F60 A102 H103 L106 L124 Y125 I126 C131 L132 L216 | V57-L128 HydrophobicContact CG1-CB 4.41Å; V57-L128 HydrophobicContact CG2-CB 4.26Å; F60-L128 HydrophobicContact CD1-CD1 3.8Å; F60-L128 HydrophobicContact CE1-CD1 4.03Å; A102-L128 HydrophobicContact CB-CD1 3.95Å; A102-L128 HydrophobicContact CB-CD2 4.06Å; H103-L128 HydrophobicContact CB-CD2 4.19Å; L106-L128 HydrophobicContact CD2-CD2 3.98Å; L124-L128 VanDerWaalsContact O-CB 3.23Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 PolarHBondContact O-N 3.4Å; Y125-L128 PolarHBondContact O-N 3.49Å; I126-L128 PolarHBondContact O-N 2.96Å; L128-C131 PolarHBondContact O-N 2.9Å; L128-L132 HydrophobicContact CD1-CD1 4.45Å; L128-L132 HydrophobicContact CG-CD1 4.35Å; L128-L132 WeakPolarHBondContact O-CB 3.44Å; L128-L132 PolarHBondContact O-N 2.95Å; L128-L216 HydrophobicContact CB-CD2 4.16Å; L128-L216 HydrophobicContact CD2-CD1 3.89Å; L128-L216 HydrophobicContact CD2-CD2 4.35Å; L128-L216 HydrophobicContact CG-CD1 4.39Å; L128-L216 HydrophobicContact CG-CD2 3.96Å |
| 129 | Q | 97 | Very high | 95.9 | Very high | 39 Ų | 39 | 37.3 Ų | 37.3 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.9 | -53.9 | 174.3 | -174.8 | -170.7 | -21.9 | 0 | 0 | 110.7 | Y125 I126 Q127 C131 L132 E133 L213 L216 M220 | Y125-Q129 VanDerWaalsContact O-CB 3.27Å; Y125-Q129 WeakPolarHBondContact O-CB 3.48Å; Y125-Q129 PolarHBondContact O-N 3.36Å; I126-Q129 PolarHBondContact O-N 3.43Å; Q127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-C131 VanDerWaalsContact C-N 3.29Å; Q129-C131 PolarHBondContact O-N 3.14Å; Q129-L132 PolarHBondContact O-N 3.44Å; Q129-L132 VanDerWaalsContact O-N 3.14Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.34Å; Q129-E133 PolarHBondContact NE2-OE1 3.4Å; Q129-E133 WeakPolarHBondContact O-CG 3.42Å; Q129-E133 PolarHBondContact O-N 3.45Å; Q129-L213 HydrophobicContact CB-CD1 4.47Å; Q129-L213 HydrophobicContact CG-CD1 3.66Å; Q129-L216 VanDerWaalsContact CA-CD2 3.49Å; Q129-L216 HydrophobicContact CB-CD2 3.75Å; Q129-L216 HydrophobicContact CG-CD2 4.5Å; Q129-M220 HydrophobicContact CB-CE 4.42Å |
| 130 | C | 97.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 178.3 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | I126 Q127 E133 M134 | I126-C130 PolarHBondContact O-N 3.2Å; I126-C130 PolarHBondContact O-SG 2.94Å; Q127-C130 PolarHBondContact O-N 2.92Å; C130-E133 PolarHBondContact O-N 2.87Å; C130-M134 WeakPolarHBondContact O-CB 3.34Å; C130-M134 VanDerWaalsContact O-CG 3.31Å; C130-M134 WeakPolarHBondContact O-CG 3.42Å; C130-M134 PolarHBondContact O-N 2.91Å |
| 131 | C | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.6 | -66 | 0 | 0 | 0 | 0 | 111.9 | F60 Q127 L128 Q129 Y135 | F60-C131 HydrophobicContact CD1-CB 3.65Å; F60-C131 HydrophobicContact CE1-CB 3.46Å; F60-C131 VanDerWaalsContact CE1-CB 3.46Å; F60-C131 HydrophobicContact CZ-CB 4.49Å; Q127-C131 WeakPolarHBondContact O-CB 3.17Å; Q127-C131 PolarHBondContact O-N 2.8Å; Q127-C131 PolarHBondContact O-SG 2.79Å; L128-C131 PolarHBondContact O-N 2.9Å; Q129-C131 VanDerWaalsContact C-N 3.29Å; Q129-C131 PolarHBondContact O-N 3.14Å; C131-Y135 WeakPolarHBondContact O-CB 3.44Å; C131-Y135 PolarHBondContact O-N 3.31Å |
| 132 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | 176.8 | -86.2 | 168.1 | 0 | 0 | 0 | 113 | F60 A99 L128 Q129 Y135 T136 M209 L212 L213 L216 | F60-L132 HydrophobicContact CE1-CD2 4.48Å; F60-L132 HydrophobicContact CE1-CG 4.21Å; F60-L132 HydrophobicContact CZ-CD2 4.3Å; F60-L132 HydrophobicContact CZ-CG 4.5Å; A99-L132 HydrophobicContact CB-CD2 3.97Å; L128-L132 HydrophobicContact CD1-CD1 4.45Å; L128-L132 HydrophobicContact CG-CD1 4.35Å; L128-L132 WeakPolarHBondContact O-CB 3.44Å; L128-L132 PolarHBondContact O-N 2.95Å; Q129-L132 PolarHBondContact O-N 3.44Å; Q129-L132 VanDerWaalsContact O-N 3.14Å; L132-Y135 PolarHBondContact O-N 3Å; L132-T136 WeakPolarHBondContact O-CB 3.38Å; L132-T136 WeakPolarHBondContact O-CG2 3.43Å; L132-T136 PolarHBondContact O-N 3.22Å; L132-T136 PolarHBondContact O-OG1 2.82Å; L132-M209 HydrophobicContact CD2-CB 4.21Å; L132-M209 HydrophobicContact CD2-SD 4Å; L132-L212 HydrophobicContact CD1-CD2 4.34Å; L132-L212 HydrophobicContact CD1-CG 4.25Å; L132-L212 HydrophobicContact CD2-CD2 4.31Å; L132-L213 HydrophobicContact CB-CB 4.42Å; L132-L213 HydrophobicContact CB-CD1 4.02Å; L132-L213 HydrophobicContact CD1-CB 4.48Å; L132-L216 HydrophobicContact CD1-CD2 4.15Å |
| 133 | E | 98.1 | Very high | 97.2 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 176.5 | -74.6 | 168.5 | 179.7 | 0 | 0 | 111.6 | Q129 C130 T136 T137 L213 R217 | Q129-E133 WeakPolarHBondContact CG-OE1 3.34Å; Q129-E133 PolarHBondContact NE2-OE1 3.4Å; Q129-E133 WeakPolarHBondContact O-CG 3.42Å; Q129-E133 PolarHBondContact O-N 3.45Å; C130-E133 PolarHBondContact O-N 2.87Å; E133-T136 PolarHBondContact O-OG1 2.82Å; E133-T137 WeakPolarHBondContact O-CB 3.23Å; E133-T137 PolarHBondContact O-N 2.76Å; E133-T137 PolarHBondContact O-OG1 2.93Å; E133-L213 HydrophobicContact CG-CD1 3.9Å; E133-L213 HydrophobicContact CG-CD2 3.59Å; E133-L213 HydrophobicContact CG-CG 4.41Å; E133-R217 IonicContact OE1-CZ 3.3Å; E133-R217 IonicContact OE1-NE 2.71Å; E133-R217 IonicContact OE1-NH2 3.29Å; E133-R217 PolarHBondContact OE1-NH2 3.44Å |
| 134 | M | 98.1 | Very high | 97.2 | Very high | 83 Ų | 83 | 35.6 Ų | 35.6 | 41% | 0.409 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 171.5 | -70.2 | -173.2 | -63.1 | 0 | 0 | 110.9 | V64 C130 T136 T137 E138 | V64-M134 HydrophobicContact CG1-CB 4.06Å; C130-M134 WeakPolarHBondContact O-CB 3.34Å; C130-M134 VanDerWaalsContact O-CG 3.31Å; C130-M134 WeakPolarHBondContact O-CG 3.42Å; C130-M134 PolarHBondContact O-N 2.91Å; M134-T136 PolarHBondContact O-N 3.48Å; M134-T137 CarbonylContact O-C 3.59Å; M134-T137 WeakPolarHBondContact O-CA 3.18Å; M134-T137 WeakPolarHBondContact O-CB 3.47Å; M134-T137 PolarHBondContact O-N 3.14Å; M134-E138 WeakPolarHBondContact O-CG 3.49Å; M134-E138 PolarHBondContact O-N 2.92Å |
| 135 | Y | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | -175.4 | -168.7 | -134.3 | 0 | 0 | 0 | 113.4 | F60 V64 Y67 R92 G95 C131 L132 T137 E138 M139 M209 | F60-Y135 AromaticContact CE2-CD1 3.86Å; F60-Y135 HydrophobicContact CE2-CD1 3.86Å; F60-Y135 HydrophobicContact CE2-CE1 4.05Å; F60-Y135 HydrophobicContact CE2-CG 4.22Å; F60-Y135 AromaticContact CZ-CD1 3.74Å; F60-Y135 HydrophobicContact CZ-CD1 3.74Å; F60-Y135 HydrophobicContact CZ-CE1 4.36Å; F60-Y135 HydrophobicContact CZ-CG 4.02Å; V64-Y135 HydrophobicContact CB-CD2 4.4Å; V64-Y135 HydrophobicContact CG1-CD2 4.35Å; V64-Y135 HydrophobicContact CG2-CD2 3.82Å; V64-Y135 HydrophobicContact CG2-CG 3.9Å; Y67-Y135 HydrophobicContact CD1-CD2 4.25Å; Y67-Y135 AromaticContact CD1-CE2 3.94Å; Y67-Y135 HydrophobicContact CD1-CE2 3.94Å; Y67-Y135 AromaticContact CG-CE2 3.96Å; Y67-Y135 HydrophobicContact CG-CE2 3.96Å; R92-Y135 VanDerWaalsContact CA-OH 3.23Å; R92-Y135 WeakPolarHBondContact CA-OH 3.41Å; R92-Y135 PolarHBondContact O-OH 3.4Å; G95-Y135 WeakPolarHBondContact CA-OH 3.46Å; C131-Y135 WeakPolarHBondContact O-CB 3.44Å; C131-Y135 PolarHBondContact O-N 3.31Å; L132-Y135 PolarHBondContact O-N 3Å; Y135-T137 PolarHBondContact O-N 3.1Å; Y135-E138 PolarHBondContact O-N 3.38Å; Y135-M139 HydrophobicContact CD1-CE 4.01Å; Y135-M139 HydrophobicContact CD1-SD 4.38Å; Y135-M139 HydrophobicContact CE1-CE 3.38Å; Y135-M139 HydrophobicContact CE1-SD 4.32Å; Y135-M139 HydrophobicContact CE2-CE 4.31Å; Y135-M139 WeakPolarHBondContact O-CG 3.28Å; Y135-M139 PolarHBondContact O-N 3.37Å; Y135-M209 HydrophobicContact CD1-CG 4.13Å; Y135-M209 HydrophobicContact CD1-SD 4.43Å; Y135-M209 HydrophobicContact CE1-CG 4.13Å; Y135-M209 HydrophobicContact CE1-SD 4.31Å |
| 136 | T | 98.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -28.8 | 174.3 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | L132 E133 M134 L140 M209 K210 | L132-T136 WeakPolarHBondContact O-CB 3.38Å; L132-T136 WeakPolarHBondContact O-CG2 3.43Å; L132-T136 PolarHBondContact O-N 3.22Å; L132-T136 PolarHBondContact O-OG1 2.82Å; E133-T136 PolarHBondContact O-OG1 2.82Å; M134-T136 PolarHBondContact O-N 3.48Å; T136-L140 PolarHBondContact O-N 3.27Å; T136-L140 VanDerWaalsContact O-N 3.15Å; T136-M209 HydrophobicContact CG2-CB 3.5Å; T136-M209 VanDerWaalsContact CG2-CB 3.5Å; T136-K210 HydrophobicContact CG2-CG 3.87Å |
| 137 | T | 98.2 | Very high | 96.7 | Very high | 69 Ų | 69 | 35.7 Ų | 35.7 | 42% | 0.423 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -73.2 | -42.7 | 173.3 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | E133 M134 Y135 L140 K141 | E133-T137 WeakPolarHBondContact O-CB 3.23Å; E133-T137 PolarHBondContact O-N 2.76Å; E133-T137 PolarHBondContact O-OG1 2.93Å; M134-T137 CarbonylContact O-C 3.59Å; M134-T137 WeakPolarHBondContact O-CA 3.18Å; M134-T137 WeakPolarHBondContact O-CB 3.47Å; M134-T137 PolarHBondContact O-N 3.14Å; Y135-T137 PolarHBondContact O-N 3.1Å; T137-L140 WeakPolarHBondContact O-CB 3.5Å; T137-L140 PolarHBondContact O-N 3.32Å; T137-K141 WeakPolarHBondContact O-CG 3.4Å; T137-K141 PolarHBondContact O-N 3.27Å |
| 138 | E | 98.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 175 | -60.7 | -50.1 | 135.4 | 0 | 0 | 112.1 | Y67 R68 M134 Y135 K141 S142 | Y67-E138 HydrophobicContact CD1-CB 3.92Å; Y67-E138 HydrophobicContact CE1-CB 4.23Å; R68-E138 HydrophobicContact CB-CG 4.1Å; R68-E138 HydrophobicContact CG-CG 4.35Å; M134-E138 WeakPolarHBondContact O-CG 3.49Å; M134-E138 PolarHBondContact O-N 2.92Å; Y135-E138 PolarHBondContact O-N 3.38Å; E138-K141 PolarHBondContact O-N 3.16Å; E138-K141 IonicContact OE1-NZ 2.71Å; E138-K141 PolarHBondContact OE1-NZ 3.36Å; E138-K141 VanDerWaalsContact OE2-CD 3.28Å; E138-K141 WeakPolarHBondContact OE2-CD 3.37Å; E138-K141 IonicContact OE2-NZ 3.87Å; E138-K141 PolarHBondContact OE2-NZ 2.95Å; E138-S142 PolarHBondContact O-N 3.39Å |
| 139 | M | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 169 | -75.2 | 172.4 | 160.6 | 0 | 0 | 112.3 | Y67 R92 C96 Y135 S142 I143 T202 D205 M206 M209 | Y67-M139 HydrophobicContact CE1-CG 4.12Å; R92-M139 HydrophobicContact CG-CE 3.6Å; C96-M139 VanDerWaalsContact SG-CE 3.6Å; Y135-M139 HydrophobicContact CD1-CE 4.01Å; Y135-M139 HydrophobicContact CD1-SD 4.38Å; Y135-M139 HydrophobicContact CE1-CE 3.38Å; Y135-M139 HydrophobicContact CE1-SD 4.32Å; Y135-M139 HydrophobicContact CE2-CE 4.31Å; Y135-M139 WeakPolarHBondContact O-CG 3.28Å; Y135-M139 PolarHBondContact O-N 3.37Å; M139-S142 PolarHBondContact O-N 3.13Å; M139-S142 PolarHBondContact O-OG 3.49Å; M139-I143 WeakPolarHBondContact O-CD1 3.45Å; M139-I143 WeakPolarHBondContact O-CG1 3.5Å; M139-I143 PolarHBondContact O-N 3.24Å; M139-I143 VanDerWaalsContact O-N 3.09Å; M139-T202 HydrophobicContact CB-CG2 4.15Å; M139-T202 HydrophobicContact CG-CG2 4.33Å; M139-D205 HydrophobicContact CE-CB 3.97Å; M139-M206 HydrophobicContact CB-CB 4.08Å; M139-M206 HydrophobicContact CB-CG 4.24Å; M139-M206 VanDerWaalsContact SD-CA 3.59Å; M139-M206 HydrophobicContact SD-CB 3.9Å; M139-M206 HydrophobicContact SD-CG 4.49Å; M139-M209 HydrophobicContact CE-CG 3.98Å; M139-M209 HydrophobicContact SD-CB 4.49Å; M139-M209 HydrophobicContact SD-CG 4.17Å |
| 140 | L | 98.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 37.6 Ų | 37.6 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 177 | -178 | 61.3 | 0 | 0 | 0 | 111.5 | T136 T137 S142 I143 C144 M206 | T136-L140 PolarHBondContact O-N 3.27Å; T136-L140 VanDerWaalsContact O-N 3.15Å; T137-L140 WeakPolarHBondContact O-CB 3.5Å; T137-L140 PolarHBondContact O-N 3.32Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 2.88Å; L140-I143 PolarHBondContact O-N 2.89Å; L140-C144 PolarHBondContact O-N 2.84Å; L140-C144 VanDerWaalsContact O-N 3.08Å; L140-C144 PolarHBondContact O-SG 2.97Å; L140-M206 HydrophobicContact CB-SD 3.97Å; L140-M206 HydrophobicContact CD1-CE 4.48Å; L140-M206 HydrophobicContact CD1-SD 4.24Å |
| 141 | K | 97 | Very high | 92.1 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.1 | -70.6 | 168.7 | -178.7 | 172.4 | 0 | 111.9 | V71 T137 E138 C144 L145 | V71-K141 HydrophobicContact CG1-CB 3.91Å; T137-K141 WeakPolarHBondContact O-CG 3.4Å; T137-K141 PolarHBondContact O-N 3.27Å; E138-K141 PolarHBondContact O-N 3.16Å; E138-K141 IonicContact OE1-NZ 2.71Å; E138-K141 PolarHBondContact OE1-NZ 3.36Å; E138-K141 VanDerWaalsContact OE2-CD 3.28Å; E138-K141 WeakPolarHBondContact OE2-CD 3.37Å; E138-K141 IonicContact OE2-NZ 3.87Å; E138-K141 PolarHBondContact OE2-NZ 2.95Å; K141-C144 PolarHBondContact O-N 2.98Å; K141-L145 WeakPolarHBondContact O-CB 3.28Å; K141-L145 VanDerWaalsContact O-CG 3.32Å; K141-L145 WeakPolarHBondContact O-CG 3.12Å; K141-L145 PolarHBondContact O-N 2.85Å |
| 142 | S | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -39.3 | -179.8 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | Y67 E138 M139 L140 L145 L146 | Y67-S142 WeakPolarHBondContact OH-CB 3.35Å; Y67-S142 PolarHBondContact OH-OG 2.87Å; E138-S142 PolarHBondContact O-N 3.39Å; M139-S142 PolarHBondContact O-N 3.13Å; M139-S142 PolarHBondContact O-OG 3.49Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 2.88Å; S142-L145 PolarHBondContact O-N 3.17Å; S142-L146 VanDerWaalsContact O-CB 3.3Å; S142-L146 WeakPolarHBondContact O-CB 3.38Å; S142-L146 VanDerWaalsContact O-CG 3.25Å; S142-L146 WeakPolarHBondContact O-CG 3.39Å; S142-L146 PolarHBondContact O-N 2.76Å |
| 143 | I | 96 | Very high | 88 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.1 | -50.3 | 170.9 | -71.2 | 156 | 0 | 0 | 0 | 110.6 | M139 L140 G147 I199 T202 E203 M206 | M139-I143 WeakPolarHBondContact O-CD1 3.45Å; M139-I143 WeakPolarHBondContact O-CG1 3.5Å; M139-I143 PolarHBondContact O-N 3.24Å; M139-I143 VanDerWaalsContact O-N 3.09Å; L140-I143 PolarHBondContact O-N 2.89Å; I143-G147 PolarHBondContact O-N 3.11Å; I143-I199 HydrophobicContact CG2-CG2 4.02Å; I143-T202 HydrophobicContact CD1-CG2 3.9Å; I143-T202 HydrophobicContact CG1-CG2 3.69Å; I143-E203 HydrophobicContact CD1-CB 4.35Å; I143-E203 HydrophobicContact CD1-CG 3.74Å; I143-E203 HydrophobicContact CG1-CG 4.22Å; I143-E203 HydrophobicContact CG2-CG 4.49Å; I143-M206 HydrophobicContact CD1-CE 3.77Å; I143-M206 HydrophobicContact CD1-SD 4.22Å |
| 144 | C | 94.4 | Very high | 85.7 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 49% | 0.493 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | -179.8 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | L140 K141 G147 S148 | L140-C144 PolarHBondContact O-N 2.84Å; L140-C144 VanDerWaalsContact O-N 3.08Å; L140-C144 PolarHBondContact O-SG 2.97Å; K141-C144 PolarHBondContact O-N 2.98Å; C144-G147 PolarHBondContact O-N 3.3Å; C144-S148 PolarHBondContact O-N 2.82Å; C144-S148 PolarHBondContact O-OG 3.06Å |
| 145 | L | 92.6 | Very high | 83.4 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 34% | 0.34 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | -178.4 | -69.4 | 169.1 | 0 | 0 | 0 | 112.2 | V71 I74 K141 S142 G147 S148 L149 | V71-L145 HydrophobicContact CG1-CD1 3.91Å; I74-L145 HydrophobicContact CB-CB 4.27Å; I74-L145 HydrophobicContact CB-CD1 4.35Å; I74-L145 HydrophobicContact CD1-CB 4.19Å; I74-L145 HydrophobicContact CD1-CD1 4.49Å; I74-L145 HydrophobicContact CG2-CB 3.79Å; K141-L145 WeakPolarHBondContact O-CB 3.28Å; K141-L145 VanDerWaalsContact O-CG 3.32Å; K141-L145 WeakPolarHBondContact O-CG 3.12Å; K141-L145 PolarHBondContact O-N 2.85Å; S142-L145 PolarHBondContact O-N 3.17Å; L145-G147 VanDerWaalsContact C-N 3.28Å; L145-G147 PolarHBondContact O-N 2.71Å; L145-S148 PolarHBondContact O-N 3.4Å; L145-L149 PolarHBondContact O-N 3.2Å |
| 146 | L | 91.1 | Very high | 80.9 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 174.7 | -68.9 | 172.5 | 0 | 0 | 0 | 111.8 | I74 R85 S142 L149 Q150 V195 I199 | I74-L146 HydrophobicContact CD1-CD2 4.18Å; I74-L146 HydrophobicContact CD1-CG 4.01Å; I74-L146 HydrophobicContact CG2-CD2 4.43Å; R85-L146 HydrophobicContact CG-CD2 4.41Å; S142-L146 VanDerWaalsContact O-CB 3.3Å; S142-L146 WeakPolarHBondContact O-CB 3.38Å; S142-L146 VanDerWaalsContact O-CG 3.25Å; S142-L146 WeakPolarHBondContact O-CG 3.39Å; S142-L146 PolarHBondContact O-N 2.76Å; L146-L149 PolarHBondContact O-N 3.29Å; L146-Q150 PolarHBondContact O-N 3.32Å; L146-V195 HydrophobicContact CB-CG1 4.22Å; L146-I199 HydrophobicContact CB-CD1 4.02Å; L146-I199 HydrophobicContact CB-CG1 3.86Å; L146-I199 HydrophobicContact CD1-CG1 4.49Å |
| 147 | G | 89.7 | Confident | 77.9 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 16% | 0.155 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61 | -50.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I143 C144 L145 L149 Q150 F151 | I143-G147 PolarHBondContact O-N 3.11Å; C144-G147 PolarHBondContact O-N 3.3Å; L145-G147 VanDerWaalsContact C-N 3.28Å; L145-G147 PolarHBondContact O-N 2.71Å; G147-L149 VanDerWaalsContact C-N 3.28Å; G147-L149 PolarHBondContact O-N 2.67Å; G147-Q150 WeakPolarHBondContact O-CB 3.47Å; G147-Q150 PolarHBondContact O-N 2.91Å; G147-F151 WeakPolarHBondContact O-CD2 3.48Å; G147-F151 PolarHBondContact O-N 2.92Å |
| 148 | S | 86.4 | Confident | 75.4 | Confident | 62 Ų | 62 | 79.6 Ų | 79.6 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.7 | -40.3 | 177.2 | -65.2 | 0 | 0 | 0 | 0 | 113 | C144 L145 Q150 F151 H152 | C144-S148 PolarHBondContact O-N 2.82Å; C144-S148 PolarHBondContact O-OG 3.06Å; L145-S148 PolarHBondContact O-N 3.4Å; S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact O-N 3.49Å; S148-F151 PolarHBondContact O-N 2.85Å; S148-F151 VanDerWaalsContact O-N 3.16Å; S148-H152 PolarHBondContact O-CD2 3.21Å; S148-H152 VanDerWaalsContact O-CD2 3.31Å; S148-H152 PolarHBondContact O-N 3.28Å |
| 149 | L | 76.1 | Confident | 72.9 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 25% | 0.246 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63 | -28.7 | 176.7 | -69.6 | 177.8 | 0 | 0 | 0 | 113.5 | I74 L145 L146 G147 | I74-L149 HydrophobicContact CG2-CD1 3.67Å; L145-L149 PolarHBondContact O-N 3.2Å; L146-L149 PolarHBondContact O-N 3.29Å; G147-L149 VanDerWaalsContact C-N 3.28Å; G147-L149 PolarHBondContact O-N 2.67Å |
| 150 | Q | 72.1 | Confident | 69.9 | Low | 41 Ų | 41 | 85.7 Ų | 85.7 | 19% | 0.192 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 173 | -66.8 | -142.6 | 45.1 | 0 | 0 | 112.2 | L146 G147 S148 R153 S192 V195 S196 | L146-Q150 PolarHBondContact O-N 3.32Å; G147-Q150 WeakPolarHBondContact O-CB 3.47Å; G147-Q150 PolarHBondContact O-N 2.91Å; S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact O-N 3.49Å; Q150-R153 PolarHBondContact O-N 3.01Å; Q150-S192 PolarHBondContact OE1-OG 2.96Å; Q150-V195 HydrophobicContact CG-CB 4.18Å; Q150-V195 HydrophobicContact CG-CG1 3.72Å; Q150-S196 VanDerWaalsContact NE2-N 3.13Å; Q150-S196 PolarHBondContact NE2-OG 3.04Å |
| 151 | F | 59.9 | Low | 67 | Low | 158 Ų | 158 | 85.7 Ų | 85.7 | 69% | 0.693 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.4 | -37.8 | -176.8 | -65.8 | -69.2 | 0 | 0 | 0 | 113 | G147 S148 R153 K154 | G147-F151 WeakPolarHBondContact O-CD2 3.48Å; G147-F151 PolarHBondContact O-N 2.92Å; S148-F151 PolarHBondContact O-N 2.85Å; S148-F151 VanDerWaalsContact O-N 3.16Å; F151-R153 VanDerWaalsContact C-N 3.25Å; F151-R153 PolarHBondContact O-N 3.37Å; F151-K154 PolarHBondContact O-N 3.37Å; F151-K154 VanDerWaalsContact O-N 3.13Å |
| 152 | H | 56.6 | Low | 64 | Low | 153 Ų | 153 | 88.2 Ų | 88.2 | 71% | 0.708 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.6 | -31.2 | 178.6 | -81.4 | -70.4 | 0 | 0 | 0 | 113.6 | S148 G155 | S148-H152 PolarHBondContact O-CD2 3.21Å; S148-H152 VanDerWaalsContact O-CD2 3.31Å; S148-H152 PolarHBondContact O-N 3.28Å; H152-G155 PolarHBondContact O-N 2.87Å |
| 153 | R | 53.9 | Low | 61.5 | Low | 122 Ų | 122 | 98.2 Ų | 98.2 | 46% | 0.46 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.9 | -29.7 | 177.7 | -161.9 | 177.5 | -167.8 | 159.4 | 10.5 | 112.9 | Q150 F151 G155 S188 | Q150-R153 PolarHBondContact O-N 3.01Å; F151-R153 VanDerWaalsContact C-N 3.25Å; F151-R153 PolarHBondContact O-N 3.37Å; R153-G155 VanDerWaalsContact C-N 3.27Å; R153-G155 PolarHBondContact O-N 3.15Å; R153-S188 PolarHBondContact NH1-O 3.07Å; R153-S188 PolarHBondContact NH2-OG 3.18Å |
| 154 | K | 49.6 | Very low | 58.8 | Low | 182 Ų | 182 | 102.8 Ų | 102.8 | 79% | 0.791 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -7.3 | 179.7 | -152.2 | -173.5 | 178.4 | -174 | 0 | 113.5 | F151 | F151-K154 PolarHBondContact O-N 3.37Å; F151-K154 VanDerWaalsContact O-N 3.13Å |
| 155 | G | 49 | Very low | 56.3 | Low | 70 Ų | 70 | 107.2 Ų | 107.2 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -0.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | H152 R153 | H152-G155 PolarHBondContact O-N 2.87Å; R153-G155 VanDerWaalsContact C-N 3.27Å; R153-G155 PolarHBondContact O-N 3.15Å |
| 156 | K | 45.9 | Very low | 53.6 | Low | 185 Ų | 185 | 110.5 Ų | 110.5 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | trans | -123.2 | 51.4 | -176.3 | -159.3 | 172.8 | 179.6 | 179.2 | 0 | 112.7 | P158 | K156-P158 WeakPolarHBondContact O-CD 3.5Š| ||
| 157 | E | 35.8 | Very low | 50.9 | Low | 155 Ų | 155 | 116.4 Ų | 116.4 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | trans | -80.5 | 117.2 | 162.3 | -69.3 | -65.8 | 111.2 | 0 | 0 | 109.3 | G159 | E157-G159 VanDerWaalsContact C-N 3.27Å; E157-G159 PolarHBondContact O-N 3.45Å | ||
| 158 | P | 46.6 | Very low | 48.3 | Very low | 135 Ų | 135 | 125 Ų | 125 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -78 | 76.4 | 171.8 | 32.9 | -33.7 | 0 | 0 | 0 | 110.6 | K156 | K156-P158 WeakPolarHBondContact O-CD 3.5Š|
| 159 | G | 45 | Very low | 45.9 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | 141.1 | 116 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | E157 | E157-G159 VanDerWaalsContact C-N 3.27Å; E157-G159 PolarHBondContact O-N 3.45Å | ||
| 160 | G | 35 | Very low | 44.1 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 168.3 | 37.3 | 180 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 161 | G | 38.3 | Very low | 42.3 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 4.7 | 114.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 162 | T | 33.7 | Very low | 40.9 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -120 | 130.1 | 147.7 | -40.6 | 0 | 0 | 0 | 0 | 109.2 | S164 | T162-S164 PolarHBondContact O-N 2.75Š| ||
| 163 | K | 44 | Very low | 39.9 | Very low | 210 Ų | 210 | 136.5 Ų | 136.5 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -79.9 | 114.6 | -170.9 | -25.6 | 175.6 | -169.3 | 175.9 | 0 | 108.6 | ||||
| 164 | S | 38.7 | Very low | 39.2 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -131.7 | 148.6 | 167 | -166.3 | 0 | 0 | 0 | 0 | 109 | T162 | T162-S164 PolarHBondContact O-N 2.75Š| ||
| 165 | L | 41.8 | Very low | 38.7 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -73.3 | 146.9 | -155.6 | -75.4 | 91.4 | 0 | 0 | 0 | 115.3 | ||||
| 166 | D | 37.4 | Very low | 38.8 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -18.4 | 126.8 | 162.7 | -169.7 | 17.5 | 0 | 0 | 0 | 117.9 | K168 | D166-K168 PolarHBondContact OD1-N 3.18Š| ||
| 167 | C | 32.6 | Very low | 38.4 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | trans | -149.4 | 91.4 | 151.9 | -91.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 168 | K | 36 | Very low | 39.2 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -54 | 129.3 | 168.2 | -104.9 | -177.1 | 168.9 | -172.4 | 0 | 113 | D166 | D166-K168 PolarHBondContact OD1-N 3.18Š| ||
| 169 | I | 36.7 | Very low | 38.9 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | -161.7 | 147.7 | 120 | -143.2 | 158.5 | 0 | 0 | 0 | 112.7 | |||||
| 170 | E | 37.8 | Very low | 38.8 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 170.3 | 172.2 | -93.6 | 167.9 | 123.7 | 0 | 0 | 112.2 | ||||
| 171 | E | 33.3 | Very low | 39.3 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | cis | -162.6 | 176.2 | 16.9 | -150 | -160.9 | 82.4 | 0 | 0 | 110.6 | ||||
| 172 | S | 31.5 | Very low | 39.6 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | 69.2 | 107.7 | 149.1 | -95.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 173 | A | 35.9 | Very low | 40 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | 166.4 | 154.5 | 109.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 174 | E | 37.9 | Very low | 40 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -146 | 148.7 | -156 | -163.8 | -162.3 | 128.4 | 0 | 0 | 113.3 | ||||
| 175 | T | 40.8 | Very low | 40.9 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -125 | -81.4 | -12.3 | 14.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 176 | P | 51.1 | Low | 41.6 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -136.8 | 149 | -136.9 | 39.6 | -20.4 | 0 | 0 | 0 | 118.6 | ||||
| 177 | A | 36.2 | Very low | 42.7 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -144.9 | 126.3 | 153 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 178 | L | 53 | Low | 44 | Very low | 155 Ų | 155 | 120 Ų | 120 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | trans | -93.7 | 106.6 | -173.2 | -173.4 | 161.9 | 0 | 0 | 0 | 108.8 | D180 | L178-D180 HydrophobicContact CD2-CB 4.04Š| ||
| 179 | E | 41 | Very low | 45.1 | Very low | 188 Ų | 188 | 117.1 Ų | 117.1 | 88% | 0.879 | 68% | 0.682 | S | S | * | * | trans | -96.6 | 113 | 164.8 | -72.6 | -148.2 | 123 | 0 | 0 | 110.2 | S181 | E179-S181 PolarHBondContact O-N 2.69Š| ||
| 180 | D | 41.5 | Very low | 46.7 | Very low | 133 Ų | 133 | 114.9 Ų | 114.9 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | -75.2 | 80.5 | -170.2 | -172.1 | 13.7 | 0 | 0 | 0 | 111.8 | L178 S182 | L178-D180 HydrophobicContact CD2-CB 4.04Å; D180-S182 VanDerWaalsContact C-N 3.29Å; D180-S182 PolarHBondContact O-N 3.16Å; D180-S182 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 181 | S | 46.7 | Very low | 48.2 | Very low | 110 Ų | 110 | 110.5 Ų | 110.5 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | trans | -91 | 63.4 | 166.9 | -71.5 | 0 | 0 | 0 | 0 | 111.1 | E179 S183 | E179-S181 PolarHBondContact O-N 2.69Å; S181-S183 PolarHBondContact O-N 3.43Å | ||
| 182 | S | 44.6 | Very low | 50.1 | Low | 107 Ų | 107 | 105.1 Ų | 105.1 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | trans | -66.3 | 74 | 168.9 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | D180 | D180-S182 VanDerWaalsContact C-N 3.29Å; D180-S182 PolarHBondContact O-N 3.16Å; D180-S182 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 183 | S | 41.8 | Very low | 52.1 | Low | 76 Ų | 76 | 108.9 Ų | 108.9 | 53% | 0.531 | 63% | 0.626 | S | S | . | * | trans | -92.4 | 117.1 | 163.8 | 66.7 | 0 | 0 | 0 | 0 | 108.7 | S181 | S181-S183 PolarHBondContact O-N 3.43Š| ||
| 184 | S | 44.3 | Very low | 54.4 | Low | 42 Ų | 42 | 108.2 Ų | 108.2 | 29% | 0.294 | 61% | 0.605 | S | S | . | * | trans | -67.4 | 154.8 | -178.9 | 87.1 | 0 | 0 | 0 | 0 | 110.7 | V186 D187 S188 | S184-V186 PolarHBondContact O-N 2.83Å; S184-V186 VanDerWaalsContact O-N 3.13Å; S184-V186 PolarHBondContact OG-N 3.49Å; S184-D187 VanDerWaalsContact CB-OD2 3.31Å; S184-D187 WeakPolarHBondContact CB-OD2 3.39Å; S184-D187 PolarHBondContact N-OD2 3.36Å; S184-D187 PolarHBondContact O-N 2.88Å; S184-D187 PolarHBondContact OG-N 3.35Å; S184-D187 PolarHBondContact OG-OD2 3.43Å; S184-S188 PolarHBondContact O-N 2.93Å; S184-S188 PolarHBondContact O-OG 3.4Å | ||
| 185 | P | 56.8 | Low | 56.8 | Low | 110 Ų | 110 | 100 Ų | 100 | 71% | 0.714 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58 | -26 | 174.6 | -25.5 | 35.1 | 0 | 0 | 0 | 113.3 | Q189 | P185-Q189 PolarHBondContact O-N 2.83Å |
| 186 | V | 57 | Low | 59.2 | Low | 87 Ų | 87 | 96.3 Ų | 96.3 | 53% | 0.527 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.9 | -47.2 | -176.9 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | S184 S188 Q189 Q190 | S184-V186 PolarHBondContact O-N 2.83Å; S184-V186 VanDerWaalsContact O-N 3.13Å; S184-V186 PolarHBondContact OG-N 3.49Å; V186-S188 PolarHBondContact O-N 3.19Å; V186-Q189 PolarHBondContact O-N 3.3Å; V186-Q190 WeakPolarHBondContact O-CG 3.46Å; V186-Q190 PolarHBondContact O-N 3.42Å; V186-Q190 VanDerWaalsContact O-N 3.07Å |
| 187 | D | 59.4 | Low | 61.2 | Low | 74 Ų | 74 | 93.5 Ų | 93.5 | 40% | 0.396 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 178 | -55.3 | -60.9 | 0 | 0 | 0 | 110.7 | S184 Q189 Q190 H191 | S184-D187 VanDerWaalsContact CB-OD2 3.31Å; S184-D187 WeakPolarHBondContact CB-OD2 3.39Å; S184-D187 PolarHBondContact N-OD2 3.36Å; S184-D187 PolarHBondContact O-N 2.88Å; S184-D187 PolarHBondContact OG-N 3.35Å; S184-D187 PolarHBondContact OG-OD2 3.43Å; D187-Q189 VanDerWaalsContact C-N 3.33Å; D187-Q189 PolarHBondContact O-N 2.71Å; D187-Q190 PolarHBondContact O-N 3.29Å; D187-H191 PolarHBondContact O-CD2 3.03Å; D187-H191 PolarHBondContact O-N 3.04Å |
| 188 | S | 60.1 | Low | 63.9 | Low | 30 Ų | 30 | 89.3 Ų | 89.3 | 21% | 0.21 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 178.7 | -66.3 | 0 | 0 | 0 | 0 | 113 | R153 S184 V186 | R153-S188 PolarHBondContact NH1-O 3.07Å; R153-S188 PolarHBondContact NH2-OG 3.18Å; S184-S188 PolarHBondContact O-N 2.93Å; S184-S188 PolarHBondContact O-OG 3.4Å; V186-S188 PolarHBondContact O-N 3.19Å |
| 189 | Q | 60.8 | Low | 66 | Low | 133 Ų | 133 | 83 Ų | 83 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -71.5 | -47.6 | 174.6 | -72 | -155.1 | -25.3 | 0 | 0 | 112.3 | P185 V186 D187 H191 S192 W193 | P185-Q189 PolarHBondContact O-N 2.83Å; V186-Q189 PolarHBondContact O-N 3.3Å; D187-Q189 VanDerWaalsContact C-N 3.33Å; D187-Q189 PolarHBondContact O-N 2.71Å; Q189-H191 VanDerWaalsContact C-N 3.28Å; Q189-H191 PolarHBondContact O-N 3.25Å; Q189-S192 WeakPolarHBondContact O-CA 3.37Å; Q189-S192 WeakPolarHBondContact O-CB 3.35Å; Q189-S192 PolarHBondContact O-N 3.48Å; Q189-W193 PolarHBondContact O-N 2.71Å |
| 190 | Q | 68.4 | Low | 68.6 | Low | 121 Ų | 121 | 79.3 Ų | 79.3 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -56.8 | -41.6 | -178 | -71.1 | -176.6 | 7.3 | 0 | 0 | 112.3 | V186 D187 S192 W193 Q194 | V186-Q190 WeakPolarHBondContact O-CG 3.46Å; V186-Q190 PolarHBondContact O-N 3.42Å; V186-Q190 VanDerWaalsContact O-N 3.07Å; D187-Q190 PolarHBondContact O-N 3.29Å; Q190-S192 VanDerWaalsContact C-N 3.33Å; Q190-S192 PolarHBondContact O-N 2.86Å; Q190-W193 PolarHBondContact O-N 3.45Å; Q190-Q194 PolarHBondContact O-N 3.44Å; Q190-Q194 VanDerWaalsContact O-N 3.09Å |
| 191 | H | 70.4 | Confident | 71.3 | Confident | 80 Ų | 80 | 74.5 Ų | 74.5 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 174.3 | -83.4 | -72.9 | 0 | 0 | 0 | 113.1 | D187 Q189 V195 | D187-H191 PolarHBondContact O-CD2 3.03Å; D187-H191 PolarHBondContact O-N 3.04Å; Q189-H191 VanDerWaalsContact C-N 3.28Å; Q189-H191 PolarHBondContact O-N 3.25Å; H191-V195 WeakPolarHBondContact O-CG2 3.44Å; H191-V195 PolarHBondContact O-N 3.2Å |
| 192 | S | 72 | Confident | 73.8 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 177 | -143.5 | 0 | 0 | 0 | 0 | 111.5 | Q150 Q189 Q190 Q194 V195 S196 | Q150-S192 PolarHBondContact OE1-OG 2.96Å; Q189-S192 WeakPolarHBondContact O-CA 3.37Å; Q189-S192 WeakPolarHBondContact O-CB 3.35Å; Q189-S192 PolarHBondContact O-N 3.48Å; Q190-S192 VanDerWaalsContact C-N 3.33Å; Q190-S192 PolarHBondContact O-N 2.86Å; S192-Q194 VanDerWaalsContact C-N 3.31Å; S192-Q194 PolarHBondContact O-N 3.43Å; S192-V195 PolarHBondContact O-N 3.01Å; S192-V195 VanDerWaalsContact O-N 3.13Å; S192-S196 PolarHBondContact O-N 3.31Å; S192-S196 PolarHBondContact O-OG 2.74Å |
| 193 | W | 74.4 | Confident | 76.3 | Confident | 179 Ų | 179 | 67.4 Ų | 67.4 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55.7 | -45.4 | 176.6 | -75.6 | 106.2 | 0 | 0 | 0 | 111.8 | Q189 Q190 V195 S196 T197 | Q189-W193 PolarHBondContact O-N 2.71Å; Q190-W193 PolarHBondContact O-N 3.45Å; W193-V195 PolarHBondContact O-N 3.11Å; W193-S196 WeakPolarHBondContact O-CB 3.48Å; W193-S196 PolarHBondContact O-N 3.03Å; W193-T197 PolarHBondContact O-N 2.98Å; W193-T197 VanDerWaalsContact O-N 3.09Å; W193-T197 PolarHBondContact O-OG1 3.19Å |
| 194 | Q | 84.4 | Confident | 79 | Confident | 95 Ų | 95 | 69.8 Ų | 69.8 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 178.2 | -171 | 61.6 | 59.4 | 0 | 0 | 112.5 | R85 Q190 S192 S196 T197 D198 | R85-Q194 VanDerWaalsContact NH1-CG 3.33Å; Q190-Q194 PolarHBondContact O-N 3.44Å; Q190-Q194 VanDerWaalsContact O-N 3.09Å; S192-Q194 VanDerWaalsContact C-N 3.31Å; S192-Q194 PolarHBondContact O-N 3.43Å; Q194-S196 VanDerWaalsContact C-N 3.32Å; Q194-S196 PolarHBondContact O-N 2.85Å; Q194-T197 PolarHBondContact O-N 3.19Å; Q194-D198 PolarHBondContact NE2-OD1 2.91Å; Q194-D198 PolarHBondContact O-N 3.47Å |
| 195 | V | 88.3 | Confident | 81.6 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 176.5 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | R85 L146 Q150 H191 S192 W193 D198 I199 | R85-V195 VanDerWaalsContact NH1-CG2 3.31Å; L146-V195 HydrophobicContact CB-CG1 4.22Å; Q150-V195 HydrophobicContact CG-CB 4.18Å; Q150-V195 HydrophobicContact CG-CG1 3.72Å; H191-V195 WeakPolarHBondContact O-CG2 3.44Å; H191-V195 PolarHBondContact O-N 3.2Å; S192-V195 PolarHBondContact O-N 3.01Å; S192-V195 VanDerWaalsContact O-N 3.13Å; W193-V195 PolarHBondContact O-N 3.11Å; V195-D198 PolarHBondContact O-N 3.14Å; V195-I199 HydrophobicContact CG1-CD1 3.99Å; V195-I199 WeakPolarHBondContact O-CG1 3.32Å; V195-I199 PolarHBondContact O-N 3.35Å |
| 196 | S | 90.8 | Very high | 83.6 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | Q150 S192 W193 Q194 D198 I199 E200 | Q150-S196 VanDerWaalsContact NE2-N 3.13Å; Q150-S196 PolarHBondContact NE2-OG 3.04Å; S192-S196 PolarHBondContact O-N 3.31Å; S192-S196 PolarHBondContact O-OG 2.74Å; W193-S196 WeakPolarHBondContact O-CB 3.48Å; W193-S196 PolarHBondContact O-N 3.03Å; Q194-S196 VanDerWaalsContact C-N 3.32Å; Q194-S196 PolarHBondContact O-N 2.85Å; S196-D198 VanDerWaalsContact C-N 3.32Å; S196-D198 PolarHBondContact O-N 2.96Å; S196-I199 WeakPolarHBondContact O-CB 3.44Å; S196-I199 PolarHBondContact O-N 3.24Å; S196-E200 WeakPolarHBondContact O-CG 3.46Å; S196-E200 PolarHBondContact O-N 3.08Å |
| 197 | T | 92.8 | Very high | 85.6 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | W193 Q194 I199 E200 N201 | W193-T197 PolarHBondContact O-N 2.98Å; W193-T197 VanDerWaalsContact O-N 3.09Å; W193-T197 PolarHBondContact O-OG1 3.19Å; Q194-T197 PolarHBondContact O-N 3.19Å; T197-I199 VanDerWaalsContact C-N 3.34Å; T197-I199 PolarHBondContact O-N 3.31Å; T197-E200 PolarHBondContact O-N 3.37Å; T197-N201 VanDerWaalsContact O-CB 3.32Å; T197-N201 WeakPolarHBondContact O-CB 3.32Å; T197-N201 PolarHBondContact O-N 3.09Å; T197-N201 PolarHBondContact O-ND2 3.22Å |
| 198 | D | 93.6 | Very high | 87.4 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 177.2 | -62.6 | -24.2 | 0 | 0 | 0 | 112.2 | R85 Q194 V195 S196 T202 | R85-D198 WeakPolarHBondContact CD-OD2 3.38Å; R85-D198 IonicContact CZ-OD2 3.71Å; R85-D198 IonicContact NE-OD2 2.67Å; R85-D198 IonicContact NH1-OD2 2.86Å; R85-D198 PolarHBondContact NH1-OD2 3.46Å; Q194-D198 PolarHBondContact NE2-OD1 2.91Å; Q194-D198 PolarHBondContact O-N 3.47Å; V195-D198 PolarHBondContact O-N 3.14Å; S196-D198 VanDerWaalsContact C-N 3.32Å; S196-D198 PolarHBondContact O-N 2.96Å; D198-T202 WeakPolarHBondContact O-CB 3.48Å; D198-T202 PolarHBondContact O-N 3.47Å; D198-T202 PolarHBondContact O-OG1 3.03Å |
| 199 | I | 95.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -54.2 | 173.9 | -70.7 | 164.8 | 0 | 0 | 0 | 110.4 | I143 L146 V195 S196 T197 N201 T202 E203 | I143-I199 HydrophobicContact CG2-CG2 4.02Å; L146-I199 HydrophobicContact CB-CD1 4.02Å; L146-I199 HydrophobicContact CB-CG1 3.86Å; L146-I199 HydrophobicContact CD1-CG1 4.49Å; V195-I199 HydrophobicContact CG1-CD1 3.99Å; V195-I199 WeakPolarHBondContact O-CG1 3.32Å; V195-I199 PolarHBondContact O-N 3.35Å; S196-I199 WeakPolarHBondContact O-CB 3.44Å; S196-I199 PolarHBondContact O-N 3.24Å; T197-I199 VanDerWaalsContact C-N 3.34Å; T197-I199 PolarHBondContact O-N 3.31Å; I199-N201 VanDerWaalsContact C-N 3.27Å; I199-N201 PolarHBondContact O-N 3.21Å; I199-T202 CarbonylContact O-C 3.58Å; I199-T202 WeakPolarHBondContact O-CA 3.46Å; I199-T202 WeakPolarHBondContact O-CB 3.48Å; I199-T202 PolarHBondContact O-N 3.39Å; I199-E203 HydrophobicContact CG2-CG 4.49Å; I199-E203 PolarHBondContact O-N 3.04Å |
| 200 | E | 97.3 | Very high | 91.1 | Very high | 109 Ų | 109 | 63 Ų | 63 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.9 | -39.9 | 180 | -72.2 | 173.1 | -164.5 | 0 | 0 | 112.6 | S196 T197 E203 R204 | S196-E200 WeakPolarHBondContact O-CG 3.46Å; S196-E200 PolarHBondContact O-N 3.08Å; T197-E200 PolarHBondContact O-N 3.37Å; E200-E203 PolarHBondContact O-N 3.2Å; E200-R204 PolarHBondContact O-N 3.19Å |
| 201 | N | 97.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.4 | -72.9 | -31.6 | 0 | 0 | 0 | 111.5 | T197 I199 E203 R204 D205 | T197-N201 VanDerWaalsContact O-CB 3.32Å; T197-N201 WeakPolarHBondContact O-CB 3.32Å; T197-N201 PolarHBondContact O-N 3.09Å; T197-N201 PolarHBondContact O-ND2 3.22Å; I199-N201 VanDerWaalsContact C-N 3.27Å; I199-N201 PolarHBondContact O-N 3.21Å; N201-E203 VanDerWaalsContact C-N 3.33Å; N201-E203 PolarHBondContact O-N 2.68Å; N201-R204 PolarHBondContact O-N 3.13Å; N201-R204 VanDerWaalsContact OD1-CZ 3.32Å; N201-R204 PolarHBondContact OD1-NH1 3.3Å; N201-R204 PolarHBondContact OD1-NH2 3.5Å; N201-D205 VanDerWaalsContact O-CG 3.27Å; N201-D205 PolarHBondContact O-N 3.43Å |
| 202 | T | 98.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.4 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | R92 M139 I143 D198 I199 D205 M206 | R92-T202 PolarHBondContact NH1-OG1 3.27Å; M139-T202 HydrophobicContact CB-CG2 4.15Å; M139-T202 HydrophobicContact CG-CG2 4.33Å; I143-T202 HydrophobicContact CD1-CG2 3.9Å; I143-T202 HydrophobicContact CG1-CG2 3.69Å; D198-T202 WeakPolarHBondContact O-CB 3.48Å; D198-T202 PolarHBondContact O-N 3.47Å; D198-T202 PolarHBondContact O-OG1 3.03Å; I199-T202 CarbonylContact O-C 3.58Å; I199-T202 WeakPolarHBondContact O-CA 3.46Å; I199-T202 WeakPolarHBondContact O-CB 3.48Å; I199-T202 PolarHBondContact O-N 3.39Å; T202-D205 PolarHBondContact O-N 3.39Å; T202-M206 VanDerWaalsContact O-CB 3.3Å; T202-M206 WeakPolarHBondContact O-CB 3.3Å; T202-M206 PolarHBondContact O-N 3.04Å |
| 203 | E | 98.4 | Very high | 95 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.6 | -70.9 | -167.3 | 170.1 | 0 | 0 | 113 | I143 I199 E200 N201 M206 R207 | I143-E203 HydrophobicContact CD1-CB 4.35Å; I143-E203 HydrophobicContact CD1-CG 3.74Å; I143-E203 HydrophobicContact CG1-CG 4.22Å; I143-E203 HydrophobicContact CG2-CG 4.49Å; I199-E203 HydrophobicContact CG2-CG 4.49Å; I199-E203 PolarHBondContact O-N 3.04Å; E200-E203 PolarHBondContact O-N 3.2Å; N201-E203 VanDerWaalsContact C-N 3.33Å; N201-E203 PolarHBondContact O-N 2.68Å; E203-M206 PolarHBondContact O-N 2.95Å; E203-R207 WeakPolarHBondContact O-CG 3.25Å; E203-R207 PolarHBondContact O-N 2.93Å; E203-R207 PolarHBondContact O-NE 3.09Å; E203-R207 IonicContact OE2-CZ 2.69Å; E203-R207 IonicContact OE2-NH1 3.61Å; E203-R207 PolarHBondContact OE2-NH1 2.95Å; E203-R207 IonicContact OE2-NH2 3.61Å |
| 204 | R | 98.6 | Very high | 96 | Very high | 126 Ų | 126 | 52.1 Ų | 52.1 | 48% | 0.475 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 176.9 | -167.6 | -170 | -51.4 | 106.9 | 5.2 | 110.2 | E200 N201 M206 R207 E208 | E200-R204 PolarHBondContact O-N 3.19Å; N201-R204 PolarHBondContact O-N 3.13Å; N201-R204 VanDerWaalsContact OD1-CZ 3.32Å; N201-R204 PolarHBondContact OD1-NH1 3.3Å; N201-R204 PolarHBondContact OD1-NH2 3.5Å; R204-M206 PolarHBondContact O-N 3.49Å; R204-R207 PolarHBondContact O-N 3.49Å; R204-E208 PolarHBondContact O-N 3.04Å |
| 205 | D | 98.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.9 | -65.8 | -1.5 | 0 | 0 | 0 | 110.7 | R92 M139 N201 T202 R207 E208 M209 | R92-D205 IonicContact CZ-OD2 3.79Å; R92-D205 IonicContact NE-OD2 2.68Å; R92-D205 PolarHBondContact NE-OD2 3.27Å; R92-D205 IonicContact NH2-OD2 3.55Å; R92-D205 PolarHBondContact NH2-OD2 3Å; M139-D205 HydrophobicContact CE-CB 3.97Å; N201-D205 VanDerWaalsContact O-CG 3.27Å; N201-D205 PolarHBondContact O-N 3.43Å; T202-D205 PolarHBondContact O-N 3.39Å; D205-R207 PolarHBondContact O-N 3.47Å; D205-E208 PolarHBondContact O-N 2.85Å; D205-M209 WeakPolarHBondContact O-CG 3.36Å; D205-M209 PolarHBondContact O-N 3Å |
| 206 | M | 98.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 174.2 | -178.8 | -172.8 | 52.3 | 0 | 0 | 112.3 | M139 L140 I143 T202 E203 R204 E208 M209 K210 | M139-M206 HydrophobicContact CB-CB 4.08Å; M139-M206 HydrophobicContact CB-CG 4.24Å; M139-M206 VanDerWaalsContact SD-CA 3.59Å; M139-M206 HydrophobicContact SD-CB 3.9Å; M139-M206 HydrophobicContact SD-CG 4.49Å; L140-M206 HydrophobicContact CB-SD 3.97Å; L140-M206 HydrophobicContact CD1-CE 4.48Å; L140-M206 HydrophobicContact CD1-SD 4.24Å; I143-M206 HydrophobicContact CD1-CE 3.77Å; I143-M206 HydrophobicContact CD1-SD 4.22Å; T202-M206 VanDerWaalsContact O-CB 3.3Å; T202-M206 WeakPolarHBondContact O-CB 3.3Å; T202-M206 PolarHBondContact O-N 3.04Å; E203-M206 PolarHBondContact O-N 2.95Å; R204-M206 PolarHBondContact O-N 3.49Å; M206-E208 VanDerWaalsContact C-N 3.35Å; M206-M209 PolarHBondContact O-N 3.47Å; M206-K210 HydrophobicContact CG-CD 4.22Å; M206-K210 WeakPolarHBondContact O-CB 3.36Å; M206-K210 WeakPolarHBondContact O-CG 3.3Å; M206-K210 PolarHBondContact O-N 3.2Å |
| 207 | R | 98.6 | Very high | 96.9 | Very high | 123 Ų | 123 | 57.1 Ų | 57.1 | 46% | 0.464 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 175.1 | -75.4 | -179.8 | -70.5 | -103.1 | -1.9 | 111 | E203 R204 D205 K210 N211 | E203-R207 WeakPolarHBondContact O-CG 3.25Å; E203-R207 PolarHBondContact O-N 2.93Å; E203-R207 PolarHBondContact O-NE 3.09Å; E203-R207 IonicContact OE2-CZ 2.69Å; E203-R207 IonicContact OE2-NH1 3.61Å; E203-R207 PolarHBondContact OE2-NH1 2.95Å; E203-R207 IonicContact OE2-NH2 3.61Å; R204-R207 PolarHBondContact O-N 3.49Å; D205-R207 PolarHBondContact O-N 3.47Å; R207-K210 PolarHBondContact O-N 3.29Å; R207-N211 PolarHBondContact O-N 3.09Å; R207-N211 PolarHBondContact O-ND2 3.31Å |
| 208 | E | 98.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 60.3 Ų | 60.3 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 174.8 | -170.5 | 176.9 | 171.4 | 0 | 0 | 112.2 | R100 R204 D205 M206 K210 N211 L212 | R100-E208 WeakPolarHBondContact CD-OE1 3.45Å; R100-E208 IonicContact CZ-OE1 2.72Å; R100-E208 IonicContact NE-OE1 3.65Å; R100-E208 IonicContact NH1-OE1 3.43Å; R100-E208 PolarHBondContact NH1-OE1 3.29Å; R204-E208 PolarHBondContact O-N 3.04Å; D205-E208 PolarHBondContact O-N 2.85Å; M206-E208 VanDerWaalsContact C-N 3.35Å; E208-K210 VanDerWaalsContact C-N 3.32Å; E208-K210 PolarHBondContact O-N 2.97Å; E208-N211 CarbonylContact O-C 3.55Å; E208-N211 WeakPolarHBondContact O-CB 3.39Å; E208-N211 PolarHBondContact O-N 3.48Å; E208-N211 VanDerWaalsContact O-N 3.11Å; E208-L212 PolarHBondContact O-N 3.33Å |
| 209 | M | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 178.6 | -67.4 | -55.2 | 99.5 | 0 | 0 | 112.4 | C96 A99 R100 L132 Y135 T136 M139 D205 M206 L212 L213 | C96-M209 HydrophobicContact CB-CE 3.86Å; C96-M209 HydrophobicContact CB-SD 4.3Å; A99-M209 HydrophobicContact CB-SD 3.8Å; R100-M209 HydrophobicContact CG-CE 4.36Å; L132-M209 HydrophobicContact CD2-CB 4.21Å; L132-M209 HydrophobicContact CD2-SD 4Å; Y135-M209 HydrophobicContact CD1-CG 4.13Å; Y135-M209 HydrophobicContact CD1-SD 4.43Å; Y135-M209 HydrophobicContact CE1-CG 4.13Å; Y135-M209 HydrophobicContact CE1-SD 4.31Å; T136-M209 HydrophobicContact CG2-CB 3.5Å; T136-M209 VanDerWaalsContact CG2-CB 3.5Å; M139-M209 HydrophobicContact CE-CG 3.98Å; M139-M209 HydrophobicContact SD-CB 4.49Å; M139-M209 HydrophobicContact SD-CG 4.17Å; D205-M209 WeakPolarHBondContact O-CG 3.36Å; D205-M209 PolarHBondContact O-N 3Å; M206-M209 PolarHBondContact O-N 3.47Å; M209-L212 HydrophobicContact CE-CD2 4.36Å; M209-L212 PolarHBondContact O-N 3.19Å; M209-L212 HydrophobicContact SD-CD2 4.33Å; M209-L213 WeakPolarHBondContact O-CB 3.35Å; M209-L213 PolarHBondContact O-N 2.81Å |
| 210 | K | 98.2 | Very high | 95.8 | Very high | 90 Ų | 90 | 62 Ų | 62 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 170.3 | -76.2 | 175.1 | 176.7 | 174.9 | 0 | 112 | T136 M206 R207 E208 L212 L213 S214 | T136-K210 HydrophobicContact CG2-CG 3.87Å; M206-K210 HydrophobicContact CG-CD 4.22Å; M206-K210 WeakPolarHBondContact O-CB 3.36Å; M206-K210 WeakPolarHBondContact O-CG 3.3Å; M206-K210 PolarHBondContact O-N 3.2Å; R207-K210 PolarHBondContact O-N 3.29Å; E208-K210 VanDerWaalsContact C-N 3.32Å; E208-K210 PolarHBondContact O-N 2.97Å; K210-L212 VanDerWaalsContact C-N 3.3Å; K210-L212 PolarHBondContact O-N 3.42Å; K210-L213 WeakPolarHBondContact O-CB 3.4Å; K210-L213 PolarHBondContact O-N 2.89Å; K210-S214 PolarHBondContact O-N 3.02Å; K210-S214 PolarHBondContact O-OG 3.44Å |
| 211 | N | 98.1 | Very high | 95 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 174.5 | -68.1 | -21.5 | 0 | 0 | 0 | 112.2 | R207 E208 K215 | R207-N211 PolarHBondContact O-N 3.09Å; R207-N211 PolarHBondContact O-ND2 3.31Å; E208-N211 CarbonylContact O-C 3.55Å; E208-N211 WeakPolarHBondContact O-CB 3.39Å; E208-N211 PolarHBondContact O-N 3.48Å; E208-N211 VanDerWaalsContact O-N 3.11Å; N211-K215 WeakPolarHBondContact O-CG 3.45Å; N211-K215 PolarHBondContact O-N 2.94Å |
| 212 | L | 98.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 174.5 | -172.2 | 64 | 0 | 0 | 0 | 111.8 | A99 R100 H103 L132 E208 M209 K210 K215 L216 | A99-L212 HydrophobicContact CB-CD2 3.91Å; R100-L212 HydrophobicContact CG-CD2 4.07Å; H103-L212 HydrophobicContact CB-CD1 3.87Å; H103-L212 HydrophobicContact CB-CD2 4.5Å; H103-L212 HydrophobicContact CB-CG 4.39Å; L132-L212 HydrophobicContact CD1-CD2 4.34Å; L132-L212 HydrophobicContact CD1-CG 4.25Å; L132-L212 HydrophobicContact CD2-CD2 4.31Å; E208-L212 PolarHBondContact O-N 3.33Å; M209-L212 HydrophobicContact CE-CD2 4.36Å; M209-L212 PolarHBondContact O-N 3.19Å; M209-L212 HydrophobicContact SD-CD2 4.33Å; K210-L212 VanDerWaalsContact C-N 3.3Å; K210-L212 PolarHBondContact O-N 3.42Å; L212-K215 PolarHBondContact O-N 3.33Å; L212-L216 WeakPolarHBondContact O-CB 3.46Å; L212-L216 PolarHBondContact O-N 3.41Å |
| 213 | L | 97 | Very high | 92.1 | Very high | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 173.3 | 178.5 | 64.9 | 0 | 0 | 0 | 111.9 | Q129 L132 E133 M209 K210 L216 R217 | Q129-L213 HydrophobicContact CB-CD1 4.47Å; Q129-L213 HydrophobicContact CG-CD1 3.66Å; L132-L213 HydrophobicContact CB-CB 4.42Å; L132-L213 HydrophobicContact CB-CD1 4.02Å; L132-L213 HydrophobicContact CD1-CB 4.48Å; E133-L213 HydrophobicContact CG-CD1 3.9Å; E133-L213 HydrophobicContact CG-CD2 3.59Å; E133-L213 HydrophobicContact CG-CG 4.41Å; M209-L213 WeakPolarHBondContact O-CB 3.35Å; M209-L213 PolarHBondContact O-N 2.81Å; K210-L213 WeakPolarHBondContact O-CB 3.4Å; K210-L213 PolarHBondContact O-N 2.89Å; L213-L216 WeakPolarHBondContact O-CB 3.36Å; L213-L216 PolarHBondContact O-N 3.38Å; L213-R217 WeakPolarHBondContact O-CG 3.49Å; L213-R217 PolarHBondContact O-N 3.45Å; L213-R217 VanDerWaalsContact O-N 3.1Å |
| 214 | S | 95.8 | Very high | 90.5 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 43% | 0.427 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 173.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | K210 L216 R217 E218 | K210-S214 PolarHBondContact O-N 3.02Å; K210-S214 PolarHBondContact O-OG 3.44Å; S214-L216 VanDerWaalsContact C-N 3.31Å; S214-L216 PolarHBondContact O-N 3.13Å; S214-R217 PolarHBondContact O-N 3.41Å; S214-R217 VanDerWaalsContact O-N 3.16Å; S214-E218 WeakPolarHBondContact O-CG 3.48Å; S214-E218 PolarHBondContact O-N 3.38Å |
| 215 | K | 95.4 | Very high | 88.7 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 176.9 | -70.4 | 172.3 | -177.7 | -178.8 | 0 | 112.9 | N211 L212 E218 T219 | N211-K215 WeakPolarHBondContact O-CG 3.45Å; N211-K215 PolarHBondContact O-N 2.94Å; L212-K215 PolarHBondContact O-N 3.33Å; K215-E218 PolarHBondContact O-N 3.4Å; K215-T219 WeakPolarHBondContact O-CB 3.45Å; K215-T219 WeakPolarHBondContact O-CG2 3.11Å; K215-T219 PolarHBondContact O-N 3.22Å; K215-T219 PolarHBondContact O-OG1 3.34Å |
| 216 | L | 94.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.7 | -173.8 | 70.6 | 0 | 0 | 0 | 111.5 | L106 Y125 L128 Q129 L132 L212 L213 S214 T219 M220 | L106-L216 HydrophobicContact CD2-CD1 4.16Å; Y125-L216 HydrophobicContact CD1-CD1 3.52Å; Y125-L216 HydrophobicContact CD1-CG 4.03Å; Y125-L216 HydrophobicContact CE1-CD1 3.68Å; Y125-L216 HydrophobicContact CE1-CG 4.43Å; L128-L216 HydrophobicContact CB-CD2 4.16Å; L128-L216 HydrophobicContact CD2-CD1 3.89Å; L128-L216 HydrophobicContact CD2-CD2 4.35Å; L128-L216 HydrophobicContact CG-CD1 4.39Å; L128-L216 HydrophobicContact CG-CD2 3.96Å; Q129-L216 VanDerWaalsContact CA-CD2 3.49Å; Q129-L216 HydrophobicContact CB-CD2 3.75Å; Q129-L216 HydrophobicContact CG-CD2 4.5Å; L132-L216 HydrophobicContact CD1-CD2 4.15Å; L212-L216 WeakPolarHBondContact O-CB 3.46Å; L212-L216 PolarHBondContact O-N 3.41Å; L213-L216 WeakPolarHBondContact O-CB 3.36Å; L213-L216 PolarHBondContact O-N 3.38Å; S214-L216 VanDerWaalsContact C-N 3.31Å; S214-L216 PolarHBondContact O-N 3.13Å; L216-T219 PolarHBondContact O-OG1 3.38Å; L216-M220 WeakPolarHBondContact O-CB 3.36Å; L216-M220 PolarHBondContact O-N 3.31Å; L216-M220 VanDerWaalsContact O-N 3.17Å |
| 217 | R | 91.7 | Very high | 84.9 | Confident | 126 Ų | 126 | 69.4 Ų | 69.4 | 48% | 0.475 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 176.2 | -67.5 | 175.4 | 178.7 | -168.1 | 1.5 | 112 | E133 L213 S214 M220 | E133-R217 IonicContact OE1-CZ 3.3Å; E133-R217 IonicContact OE1-NE 2.71Å; E133-R217 IonicContact OE1-NH2 3.29Å; E133-R217 PolarHBondContact OE1-NH2 3.44Å; L213-R217 WeakPolarHBondContact O-CG 3.49Å; L213-R217 PolarHBondContact O-N 3.45Å; L213-R217 VanDerWaalsContact O-N 3.1Å; S214-R217 PolarHBondContact O-N 3.41Å; S214-R217 VanDerWaalsContact O-N 3.16Å; R217-M220 WeakPolarHBondContact O-CB 3.48Å; R217-M220 PolarHBondContact O-N 3.02Å |
| 218 | E | 89.1 | Confident | 82.8 | Confident | 126 Ų | 126 | 69.4 Ų | 69.4 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 175.6 | -74.7 | 168.4 | -177.6 | 0 | 0 | 112.3 | S214 K215 M220 K225 | S214-E218 WeakPolarHBondContact O-CG 3.48Å; S214-E218 PolarHBondContact O-N 3.38Å; K215-E218 PolarHBondContact O-N 3.4Å; E218-M220 VanDerWaalsContact C-N 3.29Å; E218-M220 PolarHBondContact O-N 3.42Å; E218-K225 PolarHBondContact O-NZ 2.86Å |
| 219 | T | 88.1 | Confident | 80.7 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 10.3 | -179.5 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | Y125 K215 L216 | Y125-T219 VanDerWaalsContact CE1-O 3.3Å; Y125-T219 WeakPolarHBondContact CE1-O 3.49Å; Y125-T219 VanDerWaalsContact CZ-O 3.28Å; Y125-T219 PolarHBondContact OH-O 3.43Å; K215-T219 WeakPolarHBondContact O-CB 3.45Å; K215-T219 WeakPolarHBondContact O-CG2 3.11Å; K215-T219 PolarHBondContact O-N 3.22Å; K215-T219 PolarHBondContact O-OG1 3.34Å; L216-T219 PolarHBondContact O-OG1 3.38Å |
| 220 | M | 83.7 | Confident | 78.5 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -76.5 | 134.6 | -177.9 | -163.8 | 175.3 | -74.5 | 0 | 0 | 111.2 | Y125 Q129 L216 R217 E218 L224 | Y125-M220 HydrophobicContact CD1-CB 4.1Å; Y125-M220 HydrophobicContact CD1-CE 4.26Å; Y125-M220 HydrophobicContact CD1-CG 3.86Å; Y125-M220 HydrophobicContact CE1-CB 4.39Å; Y125-M220 HydrophobicContact CG-CG 4.14Å; Q129-M220 HydrophobicContact CB-CE 4.42Å; L216-M220 WeakPolarHBondContact O-CB 3.36Å; L216-M220 PolarHBondContact O-N 3.31Å; L216-M220 VanDerWaalsContact O-N 3.17Å; R217-M220 WeakPolarHBondContact O-CB 3.48Å; R217-M220 PolarHBondContact O-N 3.02Å; E218-M220 VanDerWaalsContact C-N 3.29Å; E218-M220 PolarHBondContact O-N 3.42Å; M220-L224 HydrophobicContact CG-CB 3.74Å; M220-L224 HydrophobicContact CG-CD1 3.6Å; M220-L224 HydrophobicContact CG-CG 4.3Å; M220-L224 HydrophobicContact SD-CB 3.56Å; M220-L224 VanDerWaalsContact SD-CB 3.56Å; M220-L224 HydrophobicContact SD-CD1 3.72Å; M220-L224 HydrophobicContact SD-CG 4.29Å |
| 221 | P | 80.1 | Confident | 76.2 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | trans | -43.8 | 136.9 | 176 | -36.2 | 38.1 | 0 | 0 | 0 | 114.7 | I117 Y125 P223 L224 K225 | I117-P221 HydrophobicContact CD1-CB 3.67Å; I117-P221 HydrophobicContact CD1-CG 4.09Å; I117-P221 HydrophobicContact CG2-CB 4.31Å; I117-P221 HydrophobicContact CG2-CG 4.07Å; Y125-P221 HydrophobicContact CD2-CG 4.02Å; Y125-P221 HydrophobicContact CE2-CG 4Å; P221-P223 VanDerWaalsContact C-N 3.29Å; P221-P223 VanDerWaalsContact O-N 3.12Å; P221-L224 WeakPolarHBondContact O-CA 3.44Å; P221-L224 WeakPolarHBondContact O-CB 3.31Å; P221-L224 PolarHBondContact O-N 3.31Å; P221-K225 PolarHBondContact O-N 3.36Å | ||
| 222 | L | 71 | Confident | 73.9 | Confident | 81 Ų | 81 | 76 Ų | 76 | 42% | 0.424 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -48.8 | -37.4 | 177.6 | -65.4 | 175 | 0 | 0 | 0 | 115.1 | E113 L224 K225 N226 | E113-L222 WeakPolarHBondContact OE2-CG 3.45Å; L222-L224 PolarHBondContact O-N 2.9Å; L222-L224 VanDerWaalsContact O-N 3.17Å; L222-K225 HydrophobicContact CD2-CD 4.48Å; L222-K225 PolarHBondContact O-N 2.8Å; L222-N226 PolarHBondContact O-N 2.96Å; L222-N226 VanDerWaalsContact O-N 3.16Å; L222-N226 PolarHBondContact O-ND2 3.28Å |
| 223 | P | 64.4 | Low | 71.7 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -21.5 | 174.9 | -26.5 | 36.7 | 0 | 0 | 0 | 115 | P221 | P221-P223 VanDerWaalsContact C-N 3.29Å; P221-P223 VanDerWaalsContact O-N 3.12Å |
| 224 | L | 63.8 | Low | 69.3 | Low | 27 Ų | 27 | 86.7 Ų | 86.7 | 14% | 0.141 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -96.6 | -39.8 | 173.8 | -59 | 177.4 | 0 | 0 | 0 | 111.3 | C122 I126 M220 P221 L222 N226 Q227 | C122-L224 HydrophobicContact CB-CD1 3.88Å; C122-L224 HydrophobicContact CB-CD2 4.3Å; C122-L224 HydrophobicContact CB-CG 4.22Å; I126-L224 HydrophobicContact CD1-CD2 3.87Å; I126-L224 HydrophobicContact CG1-CD1 4.2Å; I126-L224 HydrophobicContact CG1-CD2 4.26Å; M220-L224 HydrophobicContact CG-CB 3.74Å; M220-L224 HydrophobicContact CG-CD1 3.6Å; M220-L224 HydrophobicContact CG-CG 4.3Å; M220-L224 HydrophobicContact SD-CB 3.56Å; M220-L224 VanDerWaalsContact SD-CB 3.56Å; M220-L224 HydrophobicContact SD-CD1 3.72Å; M220-L224 HydrophobicContact SD-CG 4.29Å; P221-L224 WeakPolarHBondContact O-CA 3.44Å; P221-L224 WeakPolarHBondContact O-CB 3.31Å; P221-L224 PolarHBondContact O-N 3.31Å; L222-L224 PolarHBondContact O-N 2.9Å; L222-L224 VanDerWaalsContact O-N 3.17Å; L224-N226 PolarHBondContact O-N 3.07Å; L224-Q227 WeakPolarHBondContact O-CB 3.5Å; L224-Q227 PolarHBondContact O-N 3.2Å |
| 225 | K | 60.7 | Low | 66.9 | Low | 108 Ų | 108 | 91.9 Ų | 91.9 | 47% | 0.47 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -22.8 | -178.1 | -161.1 | 169.3 | -173 | 168.2 | 0 | 114.1 | E218 P221 L222 | E218-K225 PolarHBondContact O-NZ 2.86Å; P221-K225 PolarHBondContact O-N 3.36Å; L222-K225 HydrophobicContact CD2-CD 4.48Å; L222-K225 PolarHBondContact O-N 2.8Å |
| 226 | N | 58.8 | Low | 64.4 | Low | 125 Ų | 125 | 91.5 Ų | 91.5 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.9 | 173.5 | -65.9 | -79.3 | 0 | 0 | 0 | 113.5 | L222 L224 | L222-N226 PolarHBondContact O-N 2.96Å; L222-N226 VanDerWaalsContact O-N 3.16Å; L222-N226 PolarHBondContact O-ND2 3.28Å; L224-N226 PolarHBondContact O-N 3.07Å |
| 227 | Q | 57.9 | Low | 62 | Low | 111 Ų | 111 | 97.2 Ų | 97.2 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | trans | -98.4 | 57.3 | 173.4 | -64.7 | -169.6 | -0.5 | 0 | 0 | 111.3 | L224 | L224-Q227 WeakPolarHBondContact O-CB 3.5Å; L224-Q227 PolarHBondContact O-N 3.2Å | ||
| 228 | D | 54.9 | Low | 59.5 | Low | 122 Ų | 122 | 101.4 Ų | 101.4 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | trans | -54.6 | 153.5 | 172.6 | -70.4 | -51.3 | 0 | 0 | 0 | 111.6 | S230 S231 | D228-S230 PolarHBondContact O-N 2.56Å; D228-S231 PolarHBondContact O-N 3.33Å; D228-S231 PolarHBondContact O-OG 3.07Å | ||
| 229 | D | 54.2 | Low | 57.5 | Low | 126 Ų | 126 | 100.1 Ų | 100.1 | 67% | 0.674 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -47.9 | -25.9 | -167 | -68.5 | -54.6 | 0 | 0 | 0 | 115.6 | S231 L232 | D229-S231 PolarHBondContact O-N 3.38Å; D229-S231 VanDerWaalsContact O-N 3.11Å; D229-L232 PolarHBondContact O-N 3.4Å |
| 230 | S | 52.2 | Low | 55.8 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -53.4 | -27.5 | 172.9 | -63 | 0 | 0 | 0 | 0 | 113.6 | D228 N234 | D228-S230 PolarHBondContact O-N 2.56Å; S230-N234 PolarHBondContact O-ND2 3.02Å |
| 231 | S | 51.6 | Low | 54 | Low | 58 Ų | 58 | 110.6 Ų | 110.6 | 41% | 0.406 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -85.1 | -26.1 | -178.8 | 60.1 | 0 | 0 | 0 | 0 | 114 | D228 D229 | D228-S231 PolarHBondContact O-N 3.33Å; D228-S231 PolarHBondContact O-OG 3.07Å; D229-S231 PolarHBondContact O-N 3.38Å; D229-S231 VanDerWaalsContact O-N 3.11Å |
| 232 | L | 49.9 | Very low | 52.6 | Low | 126 Ų | 126 | 121.7 Ų | 121.7 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -24.5 | -179.4 | -65.9 | 175.7 | 0 | 0 | 0 | 113.4 | D229 | D229-L232 PolarHBondContact O-N 3.4Š|
| 233 | L | 50.5 | Low | 51.5 | Low | 151 Ų | 151 | 129.3 Ų | 129.3 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -92.4 | -11.1 | 176.7 | -63.4 | 178.3 | 0 | 0 | 0 | 113.7 | L235 | L233-L235 PolarHBondContact O-N 3.47Å; L233-L235 VanDerWaalsContact O-N 3.11Å |
| 234 | N | 46.7 | Very low | 50.8 | Low | 108 Ų | 108 | 136.7 Ų | 136.7 | 58% | 0.578 | 68% | 0.683 | S | S | * | * | trans | -83.1 | 86.4 | 175.6 | -89.5 | -64.4 | 0 | 0 | 0 | 110.8 | S230 T236 | S230-N234 PolarHBondContact O-ND2 3.02Å; N234-T236 PolarHBondContact O-N 3.26Å | ||
| 235 | L | 46.3 | Very low | 50.1 | Low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | trans | -66.8 | 29.2 | 173.3 | -84.5 | 161.4 | 0 | 0 | 0 | 114.4 | L233 P237 | L233-L235 PolarHBondContact O-N 3.47Å; L233-L235 VanDerWaalsContact O-N 3.11Å; L235-P237 VanDerWaalsContact O-CD 3.27Å; L235-P237 WeakPolarHBondContact O-CD 3.39Å | ||
| 236 | T | 42.4 | Very low | 49.8 | Very low | 107 Ų | 107 | 151 Ų | 151 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | trans | -80 | 110.2 | 170.6 | 29 | 0 | 0 | 0 | 0 | 109.5 | N234 Y238 | N234-T236 PolarHBondContact O-N 3.26Å; T236-Y238 PolarHBondContact O-N 3.44Å; T236-Y238 VanDerWaalsContact O-N 3.08Å | ||
| 237 | P | 43.9 | Very low | 49.6 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.2 | -177 | 26.5 | -33.8 | 0 | 0 | 0 | 110 | L235 | L235-P237 VanDerWaalsContact O-CD 3.27Å; L235-P237 WeakPolarHBondContact O-CD 3.39Å |
| 238 | Y | 40.4 | Very low | 49.1 | Very low | 215 Ų | 215 | 159.9 Ų | 159.9 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.3 | 173.5 | -136.9 | -88.8 | 0 | 0 | 0 | 108.6 | T236 L240 | T236-Y238 PolarHBondContact O-N 3.44Å; T236-Y238 VanDerWaalsContact O-N 3.08Å; Y238-L240 PolarHBondContact O-N 3.31Å; Y238-L240 VanDerWaalsContact O-N 3.07Å |
| 239 | P | 45.9 | Very low | 48.5 | Very low | 99 Ų | 99 | 163.2 Ų | 163.2 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116.8 | -171.3 | 26.2 | -33.8 | 0 | 0 | 0 | 109.6 | V241 | P239-V241 HydrophobicContact CB-CG2 4Å; P239-V241 HydrophobicContact CG-CG2 4.4Å; P239-V241 PolarHBondContact O-N 3.25Å |
| 240 | L | 53.2 | Low | 48.1 | Very low | 174 Ų | 174 | 160.3 Ų | 160.3 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -70.5 | 66.4 | 174.6 | -67.7 | 175.7 | 0 | 0 | 0 | 110.8 | Y238 R242 | Y238-L240 PolarHBondContact O-N 3.31Å; Y238-L240 VanDerWaalsContact O-N 3.07Å; L240-R242 PolarHBondContact O-N 3.13Å | ||
| 241 | V | 45.6 | Very low | 47.9 | Very low | 118 Ų | 118 | 163.7 Ų | 163.7 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -73.5 | 80.1 | 177.3 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | P239 R243 | P239-V241 HydrophobicContact CB-CG2 4Å; P239-V241 HydrophobicContact CG-CG2 4.4Å; P239-V241 PolarHBondContact O-N 3.25Å; V241-R243 PolarHBondContact O-N 3.16Å | ||
| 242 | R | 50.3 | Low | 47.3 | Very low | 234 Ų | 234 | 166.3 Ų | 166.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -54.9 | 103.3 | 168.3 | -172.7 | 177.5 | -172.3 | 133.9 | 0.2 | 108.2 | L240 R244 | L240-R242 PolarHBondContact O-N 3.13Å; R242-R244 VanDerWaalsContact C-N 3.3Å; R242-R244 PolarHBondContact O-N 3.32Å | ||
| 243 | R | 47.3 | Very low | 46.8 | Very low | 241 Ų | 241 | 166.2 Ų | 166.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -64.6 | 85.7 | -174.4 | -131.7 | -174.6 | -178.6 | -153.7 | 0.2 | 110.5 | V241 K245 | V241-R243 PolarHBondContact O-N 3.16Å; R243-K245 PolarHBondContact O-N 3.44Å; R243-K245 VanDerWaalsContact O-N 3.07Å | ||
| 244 | R | 51.6 | Low | 46.6 | Very low | 237 Ų | 237 | 167.4 Ų | 167.4 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -68.8 | 106.7 | 177.9 | -154.3 | 176.6 | -166 | 173.7 | 4 | 107.6 | R242 R246 | R242-R244 VanDerWaalsContact C-N 3.3Å; R242-R244 PolarHBondContact O-N 3.32Å; R244-R246 PolarHBondContact O-N 2.97Å | ||
| 245 | K | 48.9 | Very low | 46.2 | Very low | 200 Ų | 200 | 168.7 Ų | 168.7 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -55.4 | 96.8 | 179.7 | -172.4 | 174.3 | -176.3 | 175.1 | 0 | 109.6 | R243 R247 | R243-K245 PolarHBondContact O-N 3.44Å; R243-K245 VanDerWaalsContact O-N 3.07Å; K245-R247 PolarHBondContact O-N 3.38Å | ||
| 246 | R | 53.4 | Low | 45.8 | Very low | 234 Ų | 234 | 165.9 Ų | 165.9 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -60.8 | 117.6 | 176.6 | -76.3 | -171.3 | 178.6 | -173.7 | 0.3 | 108.2 | R244 | R244-R246 PolarHBondContact O-N 2.97Š| ||
| 247 | R | 54.5 | Low | 45.5 | Very low | 222 Ų | 222 | 170.3 Ų | 170.3 | 84% | 0.838 | 86% | 0.855 | S | S | * | * | trans | -75.9 | 135.9 | 160.9 | -59.8 | -174.1 | -166.2 | 178.7 | 4.9 | 107 | K245 F249 | K245-R247 PolarHBondContact O-N 3.38Å; R247-F249 PolarHBondContact O-N 3.44Å | ||
| 248 | F | 46.8 | Very low | 45.6 | Very low | 201 Ų | 201 | 172.9 Ų | 172.9 | 88% | 0.882 | 86% | 0.858 | S | S | * | * | trans | -72.4 | 114.8 | 177.3 | -95.1 | -96.9 | 0 | 0 | 0 | 110.8 | ||||
| 249 | F | 42.9 | Very low | 45.9 | Very low | 193 Ų | 193 | 170.6 Ų | 170.6 | 85% | 0.846 | 86% | 0.859 | S | S | * | * | trans | -149 | 143.8 | 152.1 | -61.4 | -79.5 | 0 | 0 | 0 | 104.7 | R247 | R247-F249 PolarHBondContact O-N 3.44Š| ||
| 250 | G | 45.1 | Very low | 45.8 | Very low | 65 Ų | 65 | 174.6 Ų | 174.6 | 67% | 0.67 | 87% | 0.871 | S | S | * | * | cis | 140.7 | 93.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 251 | L | 48.3 | Very low | 45.4 | Very low | 165 Ų | 165 | 174.6 Ų | 174.6 | 86% | 0.864 | 87% | 0.869 | S | S | * | * | trans | 72.7 | 146.9 | 168.9 | -82.9 | 77.5 | 0 | 0 | 0 | 121.3 | ||||
| 252 | C | 40.3 | Very low | 45.4 | Very low | 112 Ų | 112 | 178.2 Ų | 178.2 | 76% | 0.757 | 88% | 0.878 | S | S | * | * | trans | 56.6 | 112.7 | 151 | -66.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 253 | C | 39.5 | Very low | 45.1 | Very low | 124 Ų | 124 | 174.5 Ų | 174.5 | 84% | 0.838 | 88% | 0.878 | S | S | * | * | -156.2 | 116.4 | 99.2 | -95.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 254 | L | 44.9 | Very low | 44.9 | Very low | 177 Ų | 177 | 169.7 Ų | 169.7 | 93% | 0.927 | 88% | 0.876 | S | S | * | * | trans | -86.1 | 130.6 | 156.6 | -85 | 161.5 | 0 | 0 | 0 | 107 | ||||
| 255 | V | 38.1 | Very low | 44.4 | Very low | 135 Ų | 135 | 164.5 Ų | 164.5 | 82% | 0.818 | 87% | 0.874 | S | S | * | * | trans | -133.8 | 124.8 | 164.5 | 174.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 256 | S | 37.8 | Very low | 44 | Very low | 111 Ų | 111 | 161.6 Ų | 161.6 | 78% | 0.776 | 88% | 0.875 | S | S | * | * | trans | -75.1 | 155.2 | -179.6 | -49.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 257 | S | 37 | Very low | 43.2 | Very low | 200 Ų | 200 | 155 Ų | 155 | 100% | 1.399 | 87% | 0.874 | S | S | * | * | trans | -140.6 | 0 | 137.2 | -72.5 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 257 of 257 residues in 107.5 ms
(Link to these results)