| 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 | 52.2 | Low | 45.8 | Very low | 222 Ų | 222 | 121.6 Ų | 121.6 | 100% | 1.094 | 68% | 0.68 | S | S | * | * | 0 | 81.2 | 0 | -58.1 | -179.8 | -161 | 0 | 0 | 109.6 | |||||
| 2 | A | 48.4 | Very low | 45.3 | Very low | 77 Ų | 77 | 117.8 Ų | 117.8 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | trans | -140.8 | -35.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S4 | A2-S4 VanDerWaalsContact C-N 3.35Å; A2-S4 PolarHBondContact O-N 3.17Å | ||
| 3 | A | 47.3 | Very low | 44.9 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -63.6 | -37.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | H5 R6 A7 | A3-H5 PolarHBondContact O-N 3.49Å; A3-R6 PolarHBondContact O-N 3.38Å; A3-A7 PolarHBondContact O-N 3.03Å |
| 4 | S | 48.8 | Very low | 44.7 | Very low | 81 Ų | 81 | 114.2 Ų | 114.2 | 57% | 0.566 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -57.3 | -33.7 | -179 | -37.7 | 0 | 0 | 0 | 0 | 113.3 | A2 A8 | A2-S4 VanDerWaalsContact C-N 3.35Å; A2-S4 PolarHBondContact O-N 3.17Å; S4-A8 WeakPolarHBondContact O-CB 3.43Å; S4-A8 PolarHBondContact O-N 3.1Å; S4-A8 VanDerWaalsContact O-N 3.1Å |
| 5 | H | 46.3 | Very low | 44.5 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 62% | 0.616 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81.4 | -14.5 | -180 | -69.9 | -73.5 | 0 | 0 | 0 | 114.2 | A3 K9 | A3-H5 PolarHBondContact O-N 3.49Å; H5-K9 WeakPolarHBondContact O-CG 3.47Å |
| 6 | R | 47.4 | Very low | 44.6 | Very low | 207 Ų | 207 | 122 Ų | 122 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -85.5 | -40.7 | 170.1 | -81 | -174.1 | 171.9 | 172.4 | -2.2 | 111.6 | A3 K9 L10 | A3-R6 PolarHBondContact O-N 3.38Å; R6-K9 PolarHBondContact O-N 2.93Å; R6-L10 PolarHBondContact O-N 2.94Å |
| 7 | A | 44.8 | Very low | 44.7 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 50% | 0.496 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -62.9 | -44.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A3 K9 L10 V11 | A3-A7 PolarHBondContact O-N 3.03Å; A7-K9 PolarHBondContact O-N 2.94Å; A7-L10 PolarHBondContact O-N 3.43Å; A7-L10 VanDerWaalsContact O-N 3.11Å; A7-V11 PolarHBondContact O-N 3.07Å |
| 8 | A | 42.1 | Very low | 44.7 | Very low | 59 Ų | 59 | 118.7 Ų | 118.7 | 49% | 0.488 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -62.8 | -24.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S4 A12 | S4-A8 WeakPolarHBondContact O-CB 3.43Å; S4-A8 PolarHBondContact O-N 3.1Å; S4-A8 VanDerWaalsContact O-N 3.1Å; A8-A12 WeakPolarHBondContact O-CB 3.22Å; A8-A12 PolarHBondContact O-N 3.21Å |
| 9 | K | 45 | Very low | 45.1 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80 | -19.1 | 175.4 | -85.8 | -173.7 | 171.9 | -173 | 0 | 114.3 | H5 R6 A7 | H5-K9 WeakPolarHBondContact O-CG 3.47Å; R6-K9 PolarHBondContact O-N 2.93Å; A7-K9 PolarHBondContact O-N 2.94Å |
| 10 | L | 40.8 | Very low | 45.2 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -94.4 | -21.3 | 175.7 | -67.8 | 173.9 | 0 | 0 | 0 | 113 | R6 A7 S13 | R6-L10 PolarHBondContact O-N 2.94Å; A7-L10 PolarHBondContact O-N 3.43Å; A7-L10 VanDerWaalsContact O-N 3.11Å; L10-S13 PolarHBondContact O-OG 3.03Å; L10-S13 VanDerWaalsContact O-OG 3.12Å |
| 11 | V | 40.8 | Very low | 45.6 | Very low | 112 Ų | 112 | 115.1 Ų | 115.1 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -82.4 | -24.9 | 173.2 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | A7 S13 | A7-V11 PolarHBondContact O-N 3.07Å; V11-S13 VanDerWaalsContact C-N 3.3Å; V11-S13 PolarHBondContact O-N 3.19Å |
| 12 | A | 39.3 | Very low | 45.6 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -6.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A8 | A8-A12 WeakPolarHBondContact O-CB 3.22Å; A8-A12 PolarHBondContact O-N 3.21Å |
| 13 | S | 39.9 | Very low | 46.2 | Very low | 86 Ų | 86 | 113.8 Ų | 113.8 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -2.1 | -177.7 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | L10 V11 L15 | L10-S13 PolarHBondContact O-OG 3.03Å; L10-S13 VanDerWaalsContact O-OG 3.12Å; V11-S13 VanDerWaalsContact C-N 3.3Å; V11-S13 PolarHBondContact O-N 3.19Å; S13-L15 VanDerWaalsContact C-N 3.29Å; S13-L15 PolarHBondContact O-N 2.91Å |
| 14 | S | 42.7 | Very low | 46.1 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | trans | -89.2 | 58.9 | 174.5 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 15 | L | 41.6 | Very low | 46.3 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 84% | 0.843 | 66% | 0.66 | S | S | * | * | trans | -76.4 | 124.3 | 168.2 | -77.2 | 176.2 | 0 | 0 | 0 | 110 | S13 T17 | S13-L15 VanDerWaalsContact C-N 3.29Å; S13-L15 PolarHBondContact O-N 2.91Å; L15-T17 PolarHBondContact O-N 2.8Å | ||
| 16 | Q | 45.7 | Very low | 46.1 | Very low | 192 Ų | 192 | 123.6 Ų | 123.6 | 90% | 0.897 | 67% | 0.67 | S | S | * | * | trans | -57.8 | 115.5 | -179.6 | -129.1 | 158.8 | -11.7 | 0 | 0 | 110.6 | ||||
| 17 | T | 47.4 | Very low | 45.8 | Very low | 79 Ų | 79 | 117.9 Ų | 117.9 | 49% | 0.485 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 128.6 | 172.3 | 21.3 | 0 | 0 | 0 | 0 | 109.8 | L15 V19 | L15-T17 PolarHBondContact O-N 2.8Å; T17-V19 PolarHBondContact O-N 3.18Å |
| 18 | P | 43.7 | Very low | 45.7 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 69% | 0.688 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.3 | -179.4 | 26.3 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 19 | V | 51.9 | Low | 45.4 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 42% | 0.418 | 68% | 0.68 | S | S | . | * | B | Isolated β-bridge | trans | -100.3 | 133.3 | 174.1 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | T17 R26 | T17-V19 PolarHBondContact O-N 3.18Å; V19-R26 HydrophobicContact CG2-CG 4.37Å |
| 20 | N | 48.1 | Very low | 45 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 51% | 0.513 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 123 | 179.8 | -102.6 | -44.6 | 0 | 0 | 0 | 110.7 | I22 T23 R24 | N20-I22 PolarHBondContact O-N 2.9Å; N20-T23 PolarHBondContact O-N 3.19Å; N20-R24 PolarHBondContact O-N 3Å |
| 21 | P | 54.2 | Low | 44.7 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -19.6 | -168.3 | 25.3 | -34.1 | 0 | 0 | 0 | 114.2 | ||
| 22 | I | 50.6 | Low | 44.6 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -30.4 | -177.5 | -61.7 | 175.1 | 0 | 0 | 0 | 112.4 | N20 | N20-I22 PolarHBondContact O-N 2.9Š|
| 23 | T | 61 | Low | 44.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -8.7 | -173.5 | 16.2 | 0 | 0 | 0 | 0 | 114.9 | N20 A25 | N20-T23 PolarHBondContact O-N 3.19Å; T23-A25 PolarHBondContact O-N 2.91Å |
| 24 | R | 47 | Very low | 44.8 | Very low | 221 Ų | 221 | 139.7 Ų | 139.7 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | trans | 52.9 | 8.2 | 179.5 | -67.2 | -172.5 | 177 | -174.7 | 0 | 116.6 | N20 | N20-R24 PolarHBondContact O-N 3Š| ||
| 25 | A | 51.6 | Low | 45 | Very low | 61 Ų | 61 | 139.6 Ų | 139.6 | 50% | 0.504 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -78.8 | 139 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | T23 | T23-A25 PolarHBondContact O-N 2.91Š|
| 26 | R | 42.8 | Very low | 45.3 | Very low | 220 Ų | 220 | 138.2 Ų | 138.2 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | B | Isolated β-bridge | trans | -73.5 | 132.9 | 176.5 | -64.1 | -177.8 | 179.9 | -174.9 | -0.1 | 109.8 | V19 A28 | V19-R26 HydrophobicContact CG2-CG 4.37Å; R26-A28 PolarHBondContact O-N 3.43Å |
| 27 | V | 41.8 | Very low | 45.3 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 53% | 0.527 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -72.4 | 124.7 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 28 | A | 41.9 | Very low | 45.3 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 136.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R26 | R26-A28 PolarHBondContact O-N 3.43Š|
| 29 | Q | 34.8 | Very low | 45.4 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 128.7 | 167.1 | -67.8 | -177.4 | -39.1 | 0 | 0 | 108.1 | E31 | Q29-E31 PolarHBondContact O-N 3.37Š|
| 30 | Y | 36.6 | Very low | 45 | Very low | 231 Ų | 231 | 134.9 Ų | 134.9 | 91% | 0.906 | 68% | 0.684 | S | S | * | * | trans | -73.6 | 105.6 | 159.6 | -86.9 | -89.2 | 0 | 0 | 0 | 107.3 | ||||
| 31 | E | 35.9 | Very low | 44.9 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | trans | -61.6 | 134.4 | 161.2 | -64.5 | -172.6 | 151.9 | 0 | 0 | 107.9 | Q29 E33 | Q29-E31 PolarHBondContact O-N 3.37Å; E31-E33 PolarHBondContact O-N 3.25Å | ||
| 32 | R | 38 | Very low | 44.5 | Very low | 249 Ų | 249 | 130 Ų | 130 | 94% | 0.94 | 67% | 0.667 | S | S | * | * | trans | -80.2 | 103.4 | 166.9 | -80.2 | -174.2 | 178.3 | 142.4 | -1.6 | 106.9 | ||||
| 33 | E | 39.5 | Very low | 44.2 | Very low | 167 Ų | 167 | 129 Ų | 129 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | trans | -59.7 | 138.5 | 165.7 | -66.4 | 179.8 | 168.6 | 0 | 0 | 109.8 | E31 | E31-E33 PolarHBondContact O-N 3.25Š| ||
| 34 | D | 44.9 | Very low | 43.2 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | trans | -74.6 | 121.3 | 178.6 | -167.3 | -8.4 | 0 | 0 | 0 | 108.7 | L36 Q37 | D34-L36 PolarHBondContact O-N 3.21Å; D34-Q37 PolarHBondContact O-N 3.06Å | ||
| 35 | P | 46.7 | Very low | 43.1 | Very low | 96 Ų | 96 | 124 Ų | 124 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -61.4 | -10.9 | -171.3 | 21.8 | -34.8 | 0 | 0 | 0 | 115.1 | ||
| 36 | L | 47.3 | Very low | 42.4 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.4 | -25 | 172.8 | -62.3 | 176.7 | 0 | 0 | 0 | 113.2 | D34 | D34-L36 PolarHBondContact O-N 3.21Å |
| 37 | Q | 45.8 | Very low | 42.2 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 71% | 0.71 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -85.8 | -29.5 | -177.2 | -145.3 | 165 | 12.7 | 0 | 0 | 112.4 | D34 A41 | D34-Q37 PolarHBondContact O-N 3.06Å; Q37-A41 PolarHBondContact O-N 3.17Å |
| 38 | A | 46.9 | Very low | 41.8 | Very low | 56 Ų | 56 | 130.3 Ų | 130.3 | 46% | 0.463 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -70 | -29.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A42 | A38-A42 PolarHBondContact O-N 3.15Å |
| 39 | L | 46.3 | Very low | 41.7 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 60% | 0.602 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.1 | -43.9 | 175 | -71.6 | 171.9 | 0 | 0 | 0 | 111.7 | A41 A42 E43 | L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 3.22Å; L39-A42 WeakPolarHBondContact O-CB 3.4Å; L39-A42 PolarHBondContact O-N 3.48Å; L39-E43 PolarHBondContact O-N 3.39Å |
| 40 | A | 44 | Very low | 41.5 | Very low | 53 Ų | 53 | 137.4 Ų | 137.4 | 44% | 0.438 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -62.2 | -34.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A42 A44 | A40-A42 VanDerWaalsContact C-N 3.32Å; A40-A44 PolarHBondContact O-N 3.25Å |
| 41 | A | 45.4 | Very low | 41.3 | Very low | 57 Ų | 57 | 133 Ų | 133 | 47% | 0.471 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -71.6 | -23.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q37 L39 | Q37-A41 PolarHBondContact O-N 3.17Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 3.22Å |
| 42 | A | 46.5 | Very low | 41 | Very low | 53 Ų | 53 | 131.4 Ų | 131.4 | 44% | 0.438 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -82.3 | -34.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A38 L39 A40 A44 I45 | A38-A42 PolarHBondContact O-N 3.15Å; L39-A42 WeakPolarHBondContact O-CB 3.4Å; L39-A42 PolarHBondContact O-N 3.48Å; A40-A42 VanDerWaalsContact C-N 3.32Å; A42-A44 VanDerWaalsContact C-N 3.34Å; A42-I45 PolarHBondContact O-N 3.44Å |
| 43 | E | 43.7 | Very low | 40.8 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 67% | 0.673 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64.7 | -37.7 | 171.2 | -72.9 | 178.2 | 145.1 | 0 | 0 | 111.5 | L39 I45 L46 | L39-E43 PolarHBondContact O-N 3.39Å; E43-I45 PolarHBondContact O-N 2.91Å; E43-I45 VanDerWaalsContact O-N 3.08Å; E43-L46 PolarHBondContact O-N 3.01Å; E43-L46 VanDerWaalsContact O-N 3.15Å |
| 44 | A | 40.4 | Very low | 40.2 | Very low | 81 Ų | 81 | 124 Ų | 124 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 0.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A40 A42 | A40-A44 PolarHBondContact O-N 3.25Å; A42-A44 VanDerWaalsContact C-N 3.34Å |
| 45 | I | 43.3 | Very low | 39.3 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 73% | 0.728 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 2.1 | 176 | -62.5 | 172 | 0 | 0 | 0 | 111 | A42 E43 | A42-I45 PolarHBondContact O-N 3.44Å; E43-I45 PolarHBondContact O-N 2.91Å; E43-I45 VanDerWaalsContact O-N 3.08Å |
| 46 | L | 37.9 | Very low | 38.3 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -109.2 | 17.8 | -175.3 | -72.2 | 174 | 0 | 0 | 0 | 115.3 | E43 | E43-L46 PolarHBondContact O-N 3.01Å; E43-L46 VanDerWaalsContact O-N 3.15Å |
| 47 | E | 37.6 | Very low | 37.8 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -109.1 | 1.6 | 178.9 | -71.9 | -154.3 | 148.9 | 0 | 0 | 116.5 | ||
| 48 | D | 34.3 | Very low | 36.8 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | -115.7 | 80.4 | 176.9 | -77.4 | -40.2 | 0 | 0 | 0 | 113.2 | ||||
| 49 | E | 39.6 | Very low | 35.7 | Very low | 195 Ų | 195 | 129.7 Ų | 129.7 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | trans | -137.2 | 117.7 | 158.1 | -87.4 | -151 | -177.5 | 0 | 0 | 113.6 | ||||
| 50 | E | 32 | Very low | 34.8 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | -160.8 | 150.4 | 154.9 | -76.7 | -159.9 | 137 | 0 | 0 | 107.5 | ||||
| 51 | E | 32 | Very low | 34 | Very low | 137 Ų | 137 | 131 Ų | 131 | 64% | 0.64 | 73% | 0.731 | S | S | * | * | cis | -127.8 | 175.9 | -37.3 | -112.3 | -111.6 | 86.3 | 0 | 0 | 103.5 | K53 | E51-K53 IonicContact OE1-NZ 2.78Å; E51-K53 WeakPolarHBondContact OE2-CE 3.41Å; E51-K53 IonicContact OE2-NZ 2.78Å; E51-K53 PolarHBondContact OE2-NZ 3.01Å | ||
| 52 | E | 29.7 | Very low | 33.1 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | cis | -147.3 | 150.7 | 22.8 | -139.4 | -151.3 | -170.6 | 0 | 0 | 110.8 | ||||
| 53 | K | 32.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | trans | 29.2 | 148.2 | 131.8 | -67.8 | -179.6 | -152 | 116.4 | 0 | 120.7 | E51 | E51-K53 IonicContact OE1-NZ 2.78Å; E51-K53 WeakPolarHBondContact OE2-CE 3.41Å; E51-K53 IonicContact OE2-NZ 2.78Å; E51-K53 PolarHBondContact OE2-NZ 3.01Å | ||
| 54 | V | 27.7 | Very low | 31.4 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | cis | -167.1 | 169.4 | 12.6 | 112.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 55 | A | 27.1 | Very low | 30.8 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | 85.2 | 83.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 56 | Q | 25.5 | Very low | 30 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -44.7 | 164 | 134.1 | -88.1 | -90.6 | -18.5 | 0 | 0 | 113 | ||||
| 57 | P | 35.9 | Very low | 29.8 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | -153.8 | 166.8 | 53.1 | 44.3 | -23.1 | 0 | 0 | 0 | 122.5 | |||||
| 58 | A | 24.3 | Very low | 29.3 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | 92.3 | 113.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 59 | E | 25.3 | Very low | 29 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 165.9 | 158.9 | -48.5 | 171.8 | 122 | 0 | 0 | 112 | ||||
| 60 | A | 25.8 | Very low | 28.5 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | 171.9 | 147.2 | 114 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 61 | S | 27.2 | Very low | 28.5 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 41.7 | 113.9 | 144.9 | 61.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 62 | A | 28.2 | Very low | 28.5 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | 94.4 | 163 | 66.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 63 | D | 24.8 | Very low | 28.7 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 68.8 | 143.6 | 165.6 | -64.9 | -11.2 | 0 | 0 | 0 | 118.2 | ||||
| 64 | L | 29.4 | Very low | 28.6 | Very low | 136 Ų | 136 | 125 Ų | 125 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | cis | -155.5 | 170.7 | -3.7 | -119.5 | 170.1 | 0 | 0 | 0 | 111.1 | ||||
| 65 | N | 27.7 | Very low | 28.8 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -48.7 | 150.4 | 166.7 | -59.9 | -79.8 | 0 | 0 | 0 | 113.7 | ||||
| 66 | T | 26.9 | Very low | 29.4 | Very low | 142 Ų | 142 | 124 Ų | 124 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | trans | -147.1 | 126.7 | 140.3 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 67 | S | 32.1 | Very low | 29.7 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -124.1 | 115.4 | 172.7 | -58.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 68 | F | 26.8 | Very low | 29.5 | Very low | 193 Ų | 193 | 122.5 Ų | 122.5 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -179.1 | 125.7 | 154.1 | -127.6 | -112.2 | 0 | 0 | 0 | 106.5 | ||||
| 69 | S | 29.1 | Very low | 30 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | 87.5 | 129.8 | 32.6 | 83.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 70 | G | 29.2 | Very low | 30.7 | Very low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 107.6 | 84.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 71 | V | 32.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | 71.6 | 108.1 | 54.6 | -175.1 | 0 | 0 | 0 | 0 | 113.5 | E73 | V71-E73 HydrophobicContact CG1-CG 4.35Š| |||
| 72 | D | 30.8 | Very low | 32 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | -163.9 | 101.1 | 116.9 | -137 | 34.1 | 0 | 0 | 0 | 107.4 | |||||
| 73 | E | 34.5 | Very low | 32.4 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | 84 | 123.8 | 88 | -86.9 | -151.7 | -171.8 | 0 | 0 | 114.7 | V71 | V71-E73 HydrophobicContact CG1-CG 4.35Š| |||
| 74 | H | 30.2 | Very low | 33 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 65% | 0.648 | 75% | 0.75 | S | S | * | * | -165.5 | 91.5 | 119 | -108.7 | 9 | 0 | 0 | 0 | 114.4 | R487 | H74-R487 VanDerWaalsContact C-NH2 3.35Å; H74-R487 PolarHBondContact CD2-NH1 3.49Å; H74-R487 PolarHBondContact O-NH2 2.93Å | |||
| 75 | A | 32.7 | Very low | 33.4 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | trans | 64 | 131.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 76 | P | 38 | Very low | 34.4 | Very low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -98.2 | 175.5 | 171.4 | 38.6 | -31.7 | 0 | 0 | 0 | 113.4 | ||||
| 77 | I | 32.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 130 Ų | 130 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -111.8 | 128.7 | 177.2 | -71.2 | 173.3 | 0 | 0 | 0 | 111 | ||||
| 78 | S | 30.7 | Very low | 36.8 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | trans | 24.7 | 116.5 | 163.9 | 65.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 79 | S | 35.6 | Very low | 38.1 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -109.1 | 120 | 151.1 | 56 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 80 | E | 40.3 | Very low | 39.5 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | -111.4 | 149.3 | 161.3 | -101.2 | 76.7 | -147.1 | 0 | 0 | 109.9 | ||||
| 81 | D | 40 | Very low | 41.7 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | trans | 62.4 | 71.8 | 165.8 | -62.5 | -12.3 | 0 | 0 | 0 | 119 | ||||
| 82 | F | 39.4 | Very low | 43.8 | Very low | 204 Ų | 204 | 128.1 Ų | 128.1 | 90% | 0.895 | 70% | 0.703 | S | S | * | * | trans | -118 | 131.2 | 133.8 | -80.5 | -78 | 0 | 0 | 0 | 111.2 | N84 | F82-N84 PolarHBondContact O-N 2.96Š| ||
| 83 | V | 37.7 | Very low | 46.3 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 71% | 0.709 | 70% | 0.695 | S | S | * | * | trans | -61.3 | 123.8 | -175.9 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | F85 | V83-F85 PolarHBondContact O-N 3.45Å; V83-F85 VanDerWaalsContact O-N 3.11Å | ||
| 84 | N | 35.8 | Very low | 48.6 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 84% | 0.84 | 69% | 0.685 | S | S | * | * | trans | -66.1 | 107.2 | 171.2 | -87.1 | -43.1 | 0 | 0 | 0 | 110.7 | F82 P86 | F82-N84 PolarHBondContact O-N 2.96Å; N84-P86 WeakPolarHBondContact O-CD 3.38Å | ||
| 85 | F | 38.3 | Very low | 51.3 | Low | 179 Ų | 179 | 124 Ų | 124 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -79 | 117.9 | 159.2 | -68.9 | -84.7 | 0 | 0 | 0 | 108.9 | V83 G87 | V83-F85 PolarHBondContact O-N 3.45Å; V83-F85 VanDerWaalsContact O-N 3.11Å; F85-G87 PolarHBondContact O-N 3.4Å | ||
| 86 | P | 50.3 | Low | 54 | Low | 133 Ų | 133 | 126.6 Ų | 126.6 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -77.5 | 119 | 173.9 | 30.9 | -31.3 | 0 | 0 | 0 | 109.6 | N84 | N84-P86 WeakPolarHBondContact O-CD 3.38Š|
| 87 | G | 53.1 | Low | 56.5 | Low | 57 Ų | 57 | 125.4 Ų | 125.4 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | trans | 132.7 | 30.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | F85 H89 | F85-G87 PolarHBondContact O-N 3.4Å; G87-H89 PolarHBondContact O-N 2.97Å | ||
| 88 | I | 54.8 | Low | 59.3 | Low | 131 Ų | 131 | 122.7 Ų | 122.7 | 67% | 0.672 | 64% | 0.638 | S | S | * | * | trans | -68.8 | 110.9 | 158.3 | -59.8 | 175 | 0 | 0 | 0 | 106.4 | H90 | I88-H90 PolarHBondContact O-CE1 2.81Å; I88-H90 PolarHBondContact O-N 2.9Å; I88-H90 PolarHBondContact O-ND1 3.23Å | ||
| 89 | H | 53.6 | Low | 62.3 | Low | 76 Ų | 76 | 120.3 Ų | 120.3 | 35% | 0.352 | 62% | 0.619 | S | S | . | * | trans | -70.8 | 121.5 | 169.7 | -68.7 | -81.1 | 0 | 0 | 0 | 107.9 | G87 S91 E94 | G87-H89 PolarHBondContact O-N 2.97Å; H89-S91 PolarHBondContact O-N 3.16Å; H89-E94 HydrophobicContact CB-CB 4.37Å | ||
| 90 | H | 59 | Low | 65 | Low | 164 Ų | 164 | 121 Ų | 121 | 76% | 0.759 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -84 | -3.3 | -169.5 | -69 | 79.8 | 0 | 0 | 0 | 112.5 | I88 E94 | I88-H90 PolarHBondContact O-CE1 2.81Å; I88-H90 PolarHBondContact O-N 2.9Å; I88-H90 PolarHBondContact O-ND1 3.23Å; H90-E94 PolarHBondContact N-OE2 2.86Å |
| 91 | S | 75.6 | Confident | 67.6 | Low | 40 Ų | 40 | 118.5 Ų | 118.5 | 28% | 0.28 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -141.8 | 151.1 | 166.6 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | H89 E93 E94 Y95 | H89-S91 PolarHBondContact O-N 3.16Å; S91-E93 PolarHBondContact O-N 3.01Å; S91-E94 PolarHBondContact O-N 2.72Å; S91-E94 WeakPolarHBondContact OG-CG 3.37Å; S91-E94 PolarHBondContact OG-N 3.44Å; S91-E94 PolarHBondContact OG-OE1 3Å; S91-Y95 PolarHBondContact O-N 3.18Å |
| 92 | N | 77.5 | Confident | 70.2 | Confident | 136 Ų | 136 | 117.1 Ų | 117.1 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -26.9 | 173.4 | -70.5 | -15.1 | 0 | 0 | 0 | 111.9 | Y95 F96 | N92-Y95 WeakPolarHBondContact O-CB 3.23Å; N92-Y95 PolarHBondContact O-N 2.93Å; N92-F96 WeakPolarHBondContact O-CD2 3.43Å; N92-F96 PolarHBondContact O-N 3.35Å; N92-F96 VanDerWaalsContact O-N 3.1Å |
| 93 | E | 83 | Confident | 72.9 | Confident | 124 Ų | 124 | 113.5 Ų | 113.5 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.6 | -42.1 | 177.7 | -167.3 | -176.6 | 148.8 | 0 | 0 | 111.9 | S91 Y95 F96 K97 | S91-E93 PolarHBondContact O-N 3.01Å; E93-Y95 VanDerWaalsContact C-N 3.32Å; E93-Y95 PolarHBondContact O-N 2.82Å; E93-F96 PolarHBondContact O-N 3.36Å; E93-K97 HydrophobicContact CG-CD 4.48Å; E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 2.88Å; E93-K97 VanDerWaalsContact OE1-CE 3.29Å; E93-K97 WeakPolarHBondContact OE1-CE 3.49Å; E93-K97 IonicContact OE1-NZ 3Å; E93-K97 PolarHBondContact OE1-NZ 3.05Å |
| 94 | E | 82.6 | Confident | 75.6 | Confident | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.1 | -38.6 | 172.1 | -76.5 | 155.7 | -134.1 | 0 | 0 | 112.3 | H89 H90 S91 K98 | H89-E94 HydrophobicContact CB-CB 4.37Å; H90-E94 PolarHBondContact N-OE2 2.86Å; S91-E94 PolarHBondContact O-N 2.72Å; S91-E94 WeakPolarHBondContact OG-CG 3.37Å; S91-E94 PolarHBondContact OG-N 3.44Å; S91-E94 PolarHBondContact OG-OE1 3Å; E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 PolarHBondContact O-N 3.36Å |
| 95 | Y | 86.6 | Confident | 78.5 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 175.6 | 171.6 | -98.4 | 0 | 0 | 0 | 111.2 | S91 N92 E93 K98 V99 | S91-Y95 PolarHBondContact O-N 3.18Å; N92-Y95 WeakPolarHBondContact O-CB 3.23Å; N92-Y95 PolarHBondContact O-N 2.93Å; E93-Y95 VanDerWaalsContact C-N 3.32Å; E93-Y95 PolarHBondContact O-N 2.82Å; Y95-K98 PolarHBondContact O-N 3.46Å; Y95-V99 HydrophobicContact CE1-CG2 4.1Å; Y95-V99 HydrophobicContact CE2-CG2 4.15Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 3.4Å |
| 96 | F | 89 | Confident | 81.2 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 55% | 0.553 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 179.2 | -72.4 | -61.9 | 0 | 0 | 0 | 112.7 | N92 E93 K98 V99 E100 | N92-F96 WeakPolarHBondContact O-CD2 3.43Å; N92-F96 PolarHBondContact O-N 3.35Å; N92-F96 VanDerWaalsContact O-N 3.1Å; E93-F96 PolarHBondContact O-N 3.36Å; F96-K98 VanDerWaalsContact C-N 3.32Å; F96-K98 PolarHBondContact O-N 3.42Å; F96-V99 PolarHBondContact O-N 2.92Å; F96-V99 VanDerWaalsContact O-N 3.17Å; F96-E100 WeakPolarHBondContact O-CG 3.25Å; F96-E100 PolarHBondContact O-N 2.92Å |
| 97 | K | 91.6 | Very high | 83.4 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 172.3 | -73.3 | 174.5 | -174.8 | 169.1 | 0 | 112 | E93 V99 E100 E101 | E93-K97 HydrophobicContact CG-CD 4.48Å; E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 2.88Å; E93-K97 VanDerWaalsContact OE1-CE 3.29Å; E93-K97 WeakPolarHBondContact OE1-CE 3.49Å; E93-K97 IonicContact OE1-NZ 3Å; E93-K97 PolarHBondContact OE1-NZ 3.05Å; K97-V99 VanDerWaalsContact C-N 3.35Å; K97-V99 PolarHBondContact O-N 2.99Å; K97-E100 PolarHBondContact O-N 2.93Å; K97-E101 WeakPolarHBondContact O-CG 3.37Å; K97-E101 PolarHBondContact O-N 3.28Å |
| 98 | K | 92 | Very high | 85.3 | Confident | 105 Ų | 105 | 103.6 Ų | 103.6 | 46% | 0.457 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 176.5 | -158.6 | 74.7 | -159.2 | 165.6 | 0 | 112.7 | E94 Y95 F96 E101 L102 | E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 PolarHBondContact O-N 3.36Å; Y95-K98 PolarHBondContact O-N 3.46Å; F96-K98 VanDerWaalsContact C-N 3.32Å; F96-K98 PolarHBondContact O-N 3.42Å; K98-E101 WeakPolarHBondContact CD-OE2 3.49Å; K98-E101 WeakPolarHBondContact CE-OE2 3.43Å; K98-E101 IonicContact NZ-OE2 2.94Å; K98-E101 PolarHBondContact NZ-OE2 3.07Å; K98-L102 VanDerWaalsContact O-CB 3.29Å; K98-L102 WeakPolarHBondContact O-CB 3.43Å; K98-L102 PolarHBondContact O-N 3.02Å |
| 99 | V | 92 | Very high | 87.3 | Confident | 45 Ų | 45 | 100.5 Ų | 100.5 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -37 | 172.2 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | Y95 F96 K97 L102 K103 | Y95-V99 HydrophobicContact CE1-CG2 4.1Å; Y95-V99 HydrophobicContact CE2-CG2 4.15Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 3.4Å; F96-V99 PolarHBondContact O-N 2.92Å; F96-V99 VanDerWaalsContact O-N 3.17Å; K97-V99 VanDerWaalsContact C-N 3.35Å; K97-V99 PolarHBondContact O-N 2.99Å; V99-L102 PolarHBondContact O-N 3.47Å; V99-K103 HydrophobicContact CG1-CD 4.39Å; V99-K103 VanDerWaalsContact O-CG 3.29Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 3.29Å |
| 100 | E | 92.9 | Very high | 89.3 | Confident | 128 Ų | 128 | 100.7 Ų | 100.7 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.8 | -45.5 | 173.6 | -73.2 | 175.8 | 174.9 | 0 | 0 | 112.2 | F96 K97 L102 K103 A104 | F96-E100 WeakPolarHBondContact O-CG 3.25Å; F96-E100 PolarHBondContact O-N 2.92Å; K97-E100 PolarHBondContact O-N 2.93Å; E100-L102 VanDerWaalsContact C-N 3.28Å; E100-L102 PolarHBondContact O-N 2.66Å; E100-K103 WeakPolarHBondContact O-CB 3.45Å; E100-K103 PolarHBondContact O-N 2.65Å; E100-A104 PolarHBondContact O-N 3.44Å |
| 101 | E | 94.8 | Very high | 91.1 | Very high | 104 Ų | 104 | 95.5 Ų | 95.5 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.8 | -41.2 | 171.6 | -73.8 | 175 | -157.3 | 0 | 0 | 111.9 | K97 K98 A104 A105 | K97-E101 WeakPolarHBondContact O-CG 3.37Å; K97-E101 PolarHBondContact O-N 3.28Å; K98-E101 WeakPolarHBondContact CD-OE2 3.49Å; K98-E101 WeakPolarHBondContact CE-OE2 3.43Å; K98-E101 IonicContact NZ-OE2 2.94Å; K98-E101 PolarHBondContact NZ-OE2 3.07Å; E101-A104 PolarHBondContact O-N 3.43Å; E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 2.84Å |
| 102 | L | 95.4 | Very high | 92 | Very high | 123 Ų | 123 | 99.4 Ų | 99.4 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71 | -34.7 | 179.2 | -167.9 | 145.5 | 0 | 0 | 0 | 112.1 | K98 V99 E100 H106 | K98-L102 VanDerWaalsContact O-CB 3.29Å; K98-L102 WeakPolarHBondContact O-CB 3.43Å; K98-L102 PolarHBondContact O-N 3.02Å; V99-L102 PolarHBondContact O-N 3.47Å; E100-L102 VanDerWaalsContact C-N 3.28Å; E100-L102 PolarHBondContact O-N 2.66Å; L102-H106 VanDerWaalsContact O-CB 3.31Å; L102-H106 WeakPolarHBondContact O-CB 3.41Å; L102-H106 PolarHBondContact O-N 3.26Å |
| 103 | K | 95.1 | Very high | 92.7 | Very high | 128 Ų | 128 | 97.7 Ų | 97.7 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 169.6 | -75 | 169.8 | -180 | 177.6 | 0 | 111.5 | V99 E100 H106 L107 | V99-K103 HydrophobicContact CG1-CD 4.39Å; V99-K103 VanDerWaalsContact O-CG 3.29Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 3.29Å; E100-K103 WeakPolarHBondContact O-CB 3.45Å; E100-K103 PolarHBondContact O-N 2.65Å; K103-H106 PolarHBondContact O-N 2.91Å; K103-L107 WeakPolarHBondContact O-CG 3.37Å; K103-L107 PolarHBondContact O-N 2.86Å |
| 104 | A | 95.7 | Very high | 93.3 | Very high | 51 Ų | 51 | 97.6 Ų | 97.6 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E100 E101 H106 L107 E108 | E100-A104 PolarHBondContact O-N 3.44Å; E101-A104 PolarHBondContact O-N 3.43Å; A104-H106 VanDerWaalsContact C-N 3.29Å; A104-H106 PolarHBondContact O-N 2.96Å; A104-L107 PolarHBondContact O-N 3.47Å; A104-E108 PolarHBondContact O-N 3.31Å |
| 105 | A | 95.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 99.8 Ų | 99.8 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E101 E108 T109 | E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 2.84Å; A105-E108 PolarHBondContact O-N 3.05Å; A105-T109 WeakPolarHBondContact O-CG2 3.18Å; A105-T109 PolarHBondContact O-N 2.99Å |
| 106 | H | 95 | Very high | 94 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 174.5 | -178.1 | 47.7 | 0 | 0 | 0 | 112.1 | L102 K103 A104 E108 T109 M110 | L102-H106 VanDerWaalsContact O-CB 3.31Å; L102-H106 WeakPolarHBondContact O-CB 3.41Å; L102-H106 PolarHBondContact O-N 3.26Å; K103-H106 PolarHBondContact O-N 2.91Å; A104-H106 VanDerWaalsContact C-N 3.29Å; A104-H106 PolarHBondContact O-N 2.96Å; H106-E108 VanDerWaalsContact C-N 3.32Å; H106-E108 PolarHBondContact O-N 3.39Å; H106-T109 WeakPolarHBondContact CA-OG1 3.43Å; H106-T109 PolarHBondContact O-N 3.06Å; H106-T109 PolarHBondContact O-OG1 3.1Å; H106-M110 WeakPolarHBondContact O-CG 3.47Å; H106-M110 PolarHBondContact O-N 2.59Å |
| 107 | L | 95.9 | Very high | 94.1 | Very high | 121 Ų | 121 | 100 Ų | 100 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 175.2 | -70.6 | 171.1 | 0 | 0 | 0 | 112 | K103 A104 T109 M110 A111 | K103-L107 WeakPolarHBondContact O-CG 3.37Å; K103-L107 PolarHBondContact O-N 2.86Å; A104-L107 PolarHBondContact O-N 3.47Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 3.33Å; L107-M110 PolarHBondContact O-N 3.13Å; L107-A111 PolarHBondContact O-N 2.81Å |
| 108 | E | 94.7 | Very high | 93.9 | Very high | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 171.6 | -75.8 | -172.5 | -152 | 0 | 0 | 113.1 | A104 A105 H106 M110 A111 K112 | A104-E108 PolarHBondContact O-N 3.31Å; A105-E108 PolarHBondContact O-N 3.05Å; H106-E108 VanDerWaalsContact C-N 3.32Å; H106-E108 PolarHBondContact O-N 3.39Å; E108-M110 VanDerWaalsContact C-N 3.32Å; E108-A111 PolarHBondContact O-N 2.91Å; E108-K112 WeakPolarHBondContact O-CB 3.36Å; E108-K112 WeakPolarHBondContact O-CD 3.37Å; E108-K112 VanDerWaalsContact O-CG 3.25Å; E108-K112 WeakPolarHBondContact O-CG 3.39Å; E108-K112 PolarHBondContact O-N 3Å; E108-K112 IonicContact OE2-NZ 3.88Å; E108-K112 PolarHBondContact OE2-NZ 2.94Å |
| 109 | T | 96.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 175.9 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | A105 H106 L107 K112 L113 | A105-T109 WeakPolarHBondContact O-CG2 3.18Å; A105-T109 PolarHBondContact O-N 2.99Å; H106-T109 WeakPolarHBondContact CA-OG1 3.43Å; H106-T109 PolarHBondContact O-N 3.06Å; H106-T109 PolarHBondContact O-OG1 3.1Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 3.33Å; T109-K112 PolarHBondContact O-N 3.35Å; T109-L113 WeakPolarHBondContact O-CG 3.43Å; T109-L113 PolarHBondContact O-N 3.43Å |
| 110 | M | 95.8 | Very high | 93 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 176.2 | -64 | -57.4 | 95.1 | 0 | 0 | 111.1 | H106 L107 E108 K112 L113 E114 | H106-M110 WeakPolarHBondContact O-CG 3.47Å; H106-M110 PolarHBondContact O-N 2.59Å; L107-M110 PolarHBondContact O-N 3.13Å; E108-M110 VanDerWaalsContact C-N 3.32Å; M110-K112 VanDerWaalsContact C-N 3.32Å; M110-K112 PolarHBondContact O-N 3.16Å; M110-L113 HydrophobicContact CE-CD1 3.69Å; M110-L113 PolarHBondContact O-N 3.1Å; M110-L113 VanDerWaalsContact O-N 3.16Å; M110-E114 WeakPolarHBondContact O-CB 3.43Å; M110-E114 PolarHBondContact O-N 3.37Å |
| 111 | A | 95.2 | Very high | 92 | Very high | 54 Ų | 54 | 99.3 Ų | 99.3 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L107 E108 K115 | L107-A111 PolarHBondContact O-N 2.81Å; E108-A111 PolarHBondContact O-N 2.91Å; A111-K115 WeakPolarHBondContact O-CB 3.43Å; A111-K115 PolarHBondContact O-N 3.26Å |
| 112 | K | 95.2 | Very high | 90.5 | Very high | 123 Ų | 123 | 99.9 Ų | 99.9 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 173.4 | -73.3 | 163.7 | -169.2 | 157.6 | 0 | 111.8 | E108 T109 M110 M116 | E108-K112 WeakPolarHBondContact O-CB 3.36Å; E108-K112 WeakPolarHBondContact O-CD 3.37Å; E108-K112 VanDerWaalsContact O-CG 3.25Å; E108-K112 WeakPolarHBondContact O-CG 3.39Å; E108-K112 PolarHBondContact O-N 3Å; E108-K112 IonicContact OE2-NZ 3.88Å; E108-K112 PolarHBondContact OE2-NZ 2.94Å; T109-K112 PolarHBondContact O-N 3.35Å; M110-K112 VanDerWaalsContact C-N 3.32Å; M110-K112 PolarHBondContact O-N 3.16Å; K112-M116 WeakPolarHBondContact O-CB 3.38Å; K112-M116 WeakPolarHBondContact O-CG 3.35Å; K112-M116 PolarHBondContact O-N 3.2Å |
| 113 | L | 93.3 | Very high | 89 | Confident | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 175 | -73.3 | 178.1 | 0 | 0 | 0 | 112.6 | T109 M110 M116 Y117 | T109-L113 WeakPolarHBondContact O-CG 3.43Å; T109-L113 PolarHBondContact O-N 3.43Å; M110-L113 HydrophobicContact CE-CD1 3.69Å; M110-L113 PolarHBondContact O-N 3.1Å; M110-L113 VanDerWaalsContact O-N 3.16Å; L113-M116 PolarHBondContact O-N 3.42Å; L113-Y117 WeakPolarHBondContact O-CB 3.21Å; L113-Y117 PolarHBondContact O-N 2.97Å |
| 114 | E | 95.3 | Very high | 87.2 | Confident | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -49.2 | 173.4 | -178.3 | 174.9 | -165.1 | 0 | 0 | 110.3 | M110 M116 Y117 Q118 | M110-E114 WeakPolarHBondContact O-CB 3.43Å; M110-E114 PolarHBondContact O-N 3.37Å; E114-M116 PolarHBondContact O-N 2.93Å; E114-Y117 WeakPolarHBondContact O-CA 3.12Å; E114-Y117 WeakPolarHBondContact O-CB 3.33Å; E114-Y117 PolarHBondContact O-N 3.28Å; E114-Q118 WeakPolarHBondContact O-CG 3.5Å; E114-Q118 PolarHBondContact O-N 2.98Å |
| 115 | K | 93.4 | Very high | 84.7 | Confident | 137 Ų | 137 | 108 Ų | 108 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57 | -48.8 | 174.3 | -173 | 178.7 | 176.5 | 179.8 | 0 | 111.7 | A111 Y117 Q118 D119 | A111-K115 WeakPolarHBondContact O-CB 3.43Å; A111-K115 PolarHBondContact O-N 3.26Å; K115-Y117 PolarHBondContact O-N 3.33Å; K115-Q118 PolarHBondContact O-N 3.29Å; K115-D119 WeakPolarHBondContact O-CB 3.38Å; K115-D119 PolarHBondContact O-N 3.43Å |
| 116 | M | 89.8 | Confident | 82 | Confident | 99 Ų | 99 | 111.8 Ų | 111.8 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.3 | -27.9 | 175 | -78.2 | 179.6 | 59.7 | 0 | 0 | 113.8 | K112 L113 E114 K120 | K112-M116 WeakPolarHBondContact O-CB 3.38Å; K112-M116 WeakPolarHBondContact O-CG 3.35Å; K112-M116 PolarHBondContact O-N 3.2Å; L113-M116 PolarHBondContact O-N 3.42Å; E114-M116 PolarHBondContact O-N 2.93Å; M116-K120 WeakPolarHBondContact O-CB 3.26Å; M116-K120 WeakPolarHBondContact O-CD 3.45Å; M116-K120 VanDerWaalsContact O-CG 3.23Å; M116-K120 WeakPolarHBondContact O-CG 3.33Å; M116-K120 PolarHBondContact O-N 3.03Å |
| 117 | Y | 90.7 | Very high | 79.2 | Confident | 150 Ų | 150 | 114.1 Ų | 114.1 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.6 | -44.9 | 176 | -173.8 | -101.3 | 0 | 0 | 0 | 111.1 | L113 E114 K115 K120 L121 | L113-Y117 WeakPolarHBondContact O-CB 3.21Å; L113-Y117 PolarHBondContact O-N 2.97Å; E114-Y117 WeakPolarHBondContact O-CA 3.12Å; E114-Y117 WeakPolarHBondContact O-CB 3.33Å; E114-Y117 PolarHBondContact O-N 3.28Å; K115-Y117 PolarHBondContact O-N 3.33Å; Y117-K120 WeakPolarHBondContact O-CB 3.38Å; Y117-K120 PolarHBondContact O-N 3.32Å; Y117-L121 HydrophobicContact CD1-CD1 4.09Å; Y117-L121 HydrophobicContact CE1-CD1 3.76Å; Y117-L121 HydrophobicContact CE1-CG 4.33Å; Y117-L121 WeakPolarHBondContact O-CG 3.39Å; Y117-L121 PolarHBondContact O-N 3.48Å |
| 118 | Q | 88.3 | Confident | 76.5 | Confident | 81 Ų | 81 | 114.3 Ų | 114.3 | 38% | 0.379 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -46.3 | 173.1 | -58.4 | -61.7 | -1.6 | 0 | 0 | 111.4 | E114 K115 K120 L121 H122 | E114-Q118 WeakPolarHBondContact O-CG 3.5Å; E114-Q118 PolarHBondContact O-N 2.98Å; K115-Q118 PolarHBondContact O-N 3.29Å; Q118-K120 PolarHBondContact O-N 3.32Å; Q118-L121 WeakPolarHBondContact O-CA 3.37Å; Q118-L121 WeakPolarHBondContact O-CB 3.38Å; Q118-L121 PolarHBondContact O-N 3.29Å; Q118-H122 PolarHBondContact O-CD2 3.39Å; Q118-H122 PolarHBondContact O-N 2.98Å |
| 119 | D | 84.8 | Confident | 73.5 | Confident | 72 Ų | 72 | 115.1 Ų | 115.1 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -55.3 | -38.3 | 175.2 | -65.9 | -18.8 | 0 | 0 | 0 | 110.9 | K115 L123 | K115-D119 WeakPolarHBondContact O-CB 3.38Å; K115-D119 PolarHBondContact O-N 3.43Å; D119-L123 WeakPolarHBondContact O-CB 3.37Å; D119-L123 WeakPolarHBondContact O-CG 3.25Å; D119-L123 PolarHBondContact O-N 3.48Å |
| 120 | K | 79.9 | Confident | 70.7 | Confident | 129 Ų | 129 | 117 Ų | 117 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.1 | -26.6 | 174.8 | -79.7 | 174.9 | -179 | -177.6 | 0 | 114.5 | M116 Y117 Q118 | M116-K120 WeakPolarHBondContact O-CB 3.26Å; M116-K120 WeakPolarHBondContact O-CD 3.45Å; M116-K120 VanDerWaalsContact O-CG 3.23Å; M116-K120 WeakPolarHBondContact O-CG 3.33Å; M116-K120 PolarHBondContact O-N 3.03Å; Y117-K120 WeakPolarHBondContact O-CB 3.38Å; Y117-K120 PolarHBondContact O-N 3.32Å; Q118-K120 PolarHBondContact O-N 3.32Å |
| 121 | L | 71.5 | Confident | 67.9 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 44% | 0.44 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.3 | -45 | 172.1 | -67.5 | 175.4 | 0 | 0 | 0 | 110 | Y117 Q118 L123 K124 | Y117-L121 HydrophobicContact CD1-CD1 4.09Å; Y117-L121 HydrophobicContact CE1-CD1 3.76Å; Y117-L121 HydrophobicContact CE1-CG 4.33Å; Y117-L121 WeakPolarHBondContact O-CG 3.39Å; Y117-L121 PolarHBondContact O-N 3.48Å; Q118-L121 WeakPolarHBondContact O-CA 3.37Å; Q118-L121 WeakPolarHBondContact O-CB 3.38Å; Q118-L121 PolarHBondContact O-N 3.29Å; L121-L123 VanDerWaalsContact C-N 3.34Å; L121-L123 PolarHBondContact O-N 3.48Å; L121-K124 PolarHBondContact O-N 2.61Å |
| 122 | H | 63 | Low | 65.2 | Low | 115 Ų | 115 | 129 Ų | 129 | 53% | 0.532 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.7 | -35.5 | 175.1 | -62.5 | -53.6 | 0 | 0 | 0 | 112.9 | Q118 K124 E125 | Q118-H122 PolarHBondContact O-CD2 3.39Å; Q118-H122 PolarHBondContact O-N 2.98Å; H122-K124 PolarHBondContact O-N 2.85Å; H122-E125 PolarHBondContact O-N 3.23Å |
| 123 | L | 63.9 | Low | 62.2 | Low | 147 Ų | 147 | 132.4 Ų | 132.4 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -11.2 | 172.6 | -75.4 | 167.9 | 0 | 0 | 0 | 114.3 | D119 L121 | D119-L123 WeakPolarHBondContact O-CB 3.37Å; D119-L123 WeakPolarHBondContact O-CG 3.25Å; D119-L123 PolarHBondContact O-N 3.48Å; L121-L123 VanDerWaalsContact C-N 3.34Å; L121-L123 PolarHBondContact O-N 3.48Å |
| 124 | K | 57.7 | Low | 59.2 | Low | 182 Ų | 182 | 132.4 Ų | 132.4 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -4.8 | 171.4 | -86.6 | -167.4 | 169.6 | -167.2 | 0 | 113.7 | L121 H122 V126 | L121-K124 PolarHBondContact O-N 2.61Å; H122-K124 PolarHBondContact O-N 2.85Å; K124-V126 PolarHBondContact O-N 3.17Å |
| 125 | E | 44.3 | Very low | 56.4 | Low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | -85.2 | 63.2 | 177 | -161.7 | 165.1 | -162.7 | 0 | 0 | 110.9 | H122 Q127 | H122-E125 PolarHBondContact O-N 3.23Å; E125-Q127 PolarHBondContact O-N 2.65Å | ||
| 126 | V | 38.2 | Very low | 53.7 | Low | 128 Ų | 128 | 133.5 Ų | 133.5 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 118.1 | 157.9 | 174.8 | 0 | 0 | 0 | 0 | 106.7 | K124 | K124-V126 PolarHBondContact O-N 3.17Š|
| 127 | Q | 35.8 | Very low | 51 | Low | 153 Ų | 153 | 133.1 Ų | 133.1 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.8 | -176 | -66.2 | -167.2 | -3.7 | 0 | 0 | 112.4 | E125 V129 | E125-Q127 PolarHBondContact O-N 2.65Å; Q127-V129 PolarHBondContact O-N 2.9Å |
| 128 | P | 39.3 | Very low | 48.1 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122.7 | 151.5 | 30.4 | -29.8 | 0 | 0 | 0 | 108.6 | V130 | P128-V130 PolarHBondContact O-N 2.81Å; P128-V130 VanDerWaalsContact O-N 3.17Å |
| 129 | V | 32.8 | Very low | 45.4 | Very low | 128 Ų | 128 | 133 Ų | 133 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -70.8 | 110.7 | -179.2 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | Q127 | Q127-V129 PolarHBondContact O-N 2.9Š| ||
| 130 | V | 37 | Very low | 42.9 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | trans | 53.6 | 109.5 | 146 | -174.1 | 0 | 0 | 0 | 0 | 118 | P128 R132 | P128-V130 PolarHBondContact O-N 2.81Å; P128-V130 VanDerWaalsContact O-N 3.17Å; V130-R132 HydrophobicContact CG1-CG 4.05Å | ||
| 131 | I | 37.2 | Very low | 40.4 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | -111.1 | 128.8 | 126.1 | -64.5 | 179.5 | 0 | 0 | 0 | 106.6 | |||||
| 132 | R | 38 | Very low | 38.6 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -68.8 | 143 | 174.4 | -70.2 | 176.4 | 165.5 | -156.8 | -2.5 | 109.5 | V130 | V130-R132 HydrophobicContact CG1-CG 4.05Š| ||
| 133 | E | 32.1 | Very low | 36.9 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | -168.8 | 170.6 | 114.8 | -105.4 | 166.3 | -157.2 | 0 | 0 | 113.5 | |||||
| 134 | A | 30.9 | Very low | 35.5 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -62.6 | 152.5 | -151.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 135 | S | 36.8 | Very low | 34.3 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -51.6 | 141.6 | 168.8 | -39.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 136 | L | 35.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -173.4 | 115.8 | 140.1 | -94.1 | 153.6 | 0 | 0 | 0 | 106.4 | ||||
| 137 | S | 33.5 | Very low | 33.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | 71.5 | 122.2 | 90.5 | -135.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 138 | D | 30.5 | Very low | 33.3 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 58.6 | 92.6 | 155 | -54.7 | -55.9 | 0 | 0 | 0 | 121.5 | ||||
| 139 | G | 32 | Very low | 32.9 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | 61.1 | 79.5 | 97.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 140 | S | 32.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -168.2 | 160.1 | 152.9 | 51.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 141 | R | 27.2 | Very low | 32.6 | Very low | 221 Ų | 221 | 145.8 Ų | 145.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | cis | -173.9 | 127.5 | -27.8 | 174.2 | -165.9 | 171.1 | 176 | -1 | 108 | ||||
| 142 | S | 33.3 | Very low | 32.2 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 61 | 157.3 | 163.6 | 63.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 143 | V | 26.8 | Very low | 31.8 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | cis | -154.3 | 152.3 | 43.3 | 162.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 144 | S | 35.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | 11.4 | 130.6 | 154.2 | -161.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 145 | E | 32.4 | Very low | 31.6 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | 166 | 126.8 | 108.2 | -91.3 | -175.1 | 179.9 | 0 | 0 | 111.6 | |||||
| 146 | K | 33.5 | Very low | 31.1 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | -177.3 | 129.1 | 129.5 | -96.5 | 142 | -160.6 | 163.8 | 0 | 111.5 | |||||
| 147 | N | 26.8 | Very low | 30.8 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -78.3 | 156.1 | -176.4 | -71.5 | -48 | 0 | 0 | 0 | 112.9 | ||||
| 148 | S | 36.7 | Very low | 30.6 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -51.7 | 146.8 | 166.5 | 53.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 149 | Y | 30.9 | Very low | 30.6 | Very low | 214 Ų | 214 | 141 Ų | 141 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -149.8 | 164.6 | 137.7 | -88.7 | -58.9 | 0 | 0 | 0 | 112.1 | ||||
| 150 | H | 28.5 | Very low | 30.4 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -83 | 158.2 | -155 | -57.9 | -81.5 | 0 | 0 | 0 | 116.3 | ||||
| 151 | P | 35.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -81.4 | 117.4 | 156.2 | 33 | -29.2 | 0 | 0 | 0 | 110.6 | ||||
| 152 | V | 28.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -97.4 | 100.1 | 166.4 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 153 | S | 29.7 | Very low | 31.4 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | 57.6 | 65.2 | 88.1 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | M155 | S153-M155 PolarHBondContact O-N 3.34Å; S153-M155 VanDerWaalsContact O-N 3.16Å | |||
| 154 | L | 31.5 | Very low | 31.5 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -68.5 | 107.1 | 162.9 | -74.6 | 174.4 | 0 | 0 | 0 | 109.4 | ||||
| 155 | M | 26.8 | Very low | 31.1 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -68.8 | 132.6 | 173.8 | -175 | 170.6 | 167.5 | 0 | 0 | 110.3 | S153 | S153-M155 PolarHBondContact O-N 3.34Å; S153-M155 VanDerWaalsContact O-N 3.16Å | ||
| 156 | T | 26.9 | Very low | 30.8 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 59% | 0.589 | 78% | 0.78 | S | S | * | * | trans | -64.5 | 130 | 173.9 | 49.3 | 0 | 0 | 0 | 0 | 112 | F158 | T156-F158 WeakPolarHBondContact OG1-CE2 3.29Š| ||
| 157 | S | 27.7 | Very low | 30.4 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -95.2 | 113 | 157.3 | -51.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 158 | F | 29.3 | Very low | 30.4 | Very low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -76.5 | 132.6 | 172.8 | -69.1 | -96.1 | 0 | 0 | 0 | 110.5 | T156 | T156-F158 WeakPolarHBondContact OG1-CE2 3.29Š| ||
| 159 | S | 30 | Very low | 29.9 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -152.2 | 98 | 154.5 | 46.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 160 | E | 28.8 | Very low | 29.8 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -120.3 | 156.8 | 153.5 | -100.8 | -148.2 | 127.9 | 0 | 0 | 109 | ||||
| 161 | P | 53.2 | Low | 29.7 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -107.9 | 176.2 | -145.5 | 40 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 162 | D | 29.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | -164.3 | 143.5 | 123.7 | -121.7 | -4.9 | 0 | 0 | 0 | 115.8 | |||||
| 163 | L | 31.8 | Very low | 29.3 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 67% | 0.665 | 77% | 0.774 | S | S | * | * | trans | 65.4 | 138.9 | 146.9 | -61.7 | 164.8 | 0 | 0 | 0 | 122.7 | ||||
| 164 | G | 28.9 | Very low | 29.4 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 130.8 | 53 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 165 | Q | 26.7 | Very low | 29.5 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 71.5 | 99.1 | 74.4 | -163.7 | 173.4 | 13.8 | 0 | 0 | 114.2 | |||||
| 166 | S | 25.7 | Very low | 30 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 69 | 154.4 | 160.1 | -54.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 167 | S | 25.4 | Very low | 30.5 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | cis | -149 | 127.7 | -2.2 | 43.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 168 | S | 27.6 | Very low | 31 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | 43.8 | 104.4 | 94.7 | 173.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 169 | F | 26.4 | Very low | 31.9 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -147.7 | 120.6 | 132.2 | -80.4 | -65.7 | 0 | 0 | 0 | 110.6 | ||||
| 170 | Y | 28.6 | Very low | 32 | Very low | 227 Ų | 227 | 138.4 Ų | 138.4 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -120.7 | 138.3 | 159.7 | -118.1 | -84.4 | 0 | 0 | 0 | 105.9 | ||||
| 171 | V | 26.5 | Very low | 32.3 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -122.3 | 116.4 | 168.9 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 172 | S | 26.5 | Very low | 31.9 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -162.5 | 103.1 | 159.5 | -158 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 173 | S | 29.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 68.9 | 98 | 69.7 | -164.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 174 | S | 30.9 | Very low | 33.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | -169.7 | 145.1 | 124.6 | 66.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 175 | E | 34.3 | Very low | 34.2 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -78.8 | 172.7 | 176 | -56.2 | -178.8 | 133.8 | 0 | 0 | 109.9 | ||||
| 176 | E | 35.8 | Very low | 35.2 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | -170.7 | 137.8 | 77.1 | -157.5 | 151 | -143.4 | 0 | 0 | 112 | |||||
| 177 | E | 37.4 | Very low | 36.5 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | 44.2 | 147.7 | 154.3 | -63.3 | -170.8 | 150.1 | 0 | 0 | 124.5 | ||||
| 178 | L | 39.8 | Very low | 38 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | cis | -179.5 | 179.7 | -32.7 | -106 | -178.7 | 0 | 0 | 0 | 105.6 | ||||
| 179 | P | 47.3 | Very low | 39.6 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | cis | -133.5 | -176.8 | 1.9 | 38.3 | -17.9 | 0 | 0 | 0 | 117.2 | ||||
| 180 | N | 31.1 | Very low | 41.5 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 89.9 | 97.6 | 158.6 | -56 | -32.1 | 0 | 0 | 0 | 120.2 | ||||
| 181 | L | 37.1 | Very low | 43.3 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | -169.6 | 127.5 | 102.1 | -169 | 60.4 | 0 | 0 | 0 | 113.1 | K183 | L181-K183 PolarHBondContact O-N 2.91Š| |||
| 182 | E | 44.4 | Very low | 45.3 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 32.1 | -157 | -156.2 | -175.5 | 174.4 | 0 | 0 | 117.1 | ||
| 183 | K | 50 | Low | 47.8 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 83% | 0.83 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 3 | -165.7 | -74.1 | -174.6 | 177.5 | 175.9 | 0 | 118.9 | L181 | L181-K183 PolarHBondContact O-N 2.91Š|
| 184 | E | 45.2 | Very low | 50.3 | Low | 142 Ų | 142 | 144.8 Ų | 144.8 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -110.3 | -17.8 | -176.2 | -153.1 | 140.8 | -145.7 | 0 | 0 | 114.9 | A186 R187 | E184-A186 PolarHBondContact O-N 3.37Å; E184-R187 PolarHBondContact O-N 2.92Å; E184-R187 VanDerWaalsContact O-N 3.13Å |
| 185 | Y | 42.6 | Very low | 52.5 | Low | 165 Ų | 165 | 141.1 Ų | 141.1 | 65% | 0.647 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -55.9 | -20.4 | -174.7 | -85.3 | -85.4 | 0 | 0 | 0 | 116.8 | R187 N189 | Y185-R187 VanDerWaalsContact C-N 3.35Å; Y185-N189 PolarHBondContact O-ND2 3.01Å |
| 186 | A | 47.6 | Very low | 54.7 | Low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74 | -22.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E184 | E184-A186 PolarHBondContact O-N 3.37Å |
| 187 | R | 52.5 | Low | 56.8 | Low | 195 Ų | 195 | 136.5 Ų | 136.5 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -90.3 | -43.1 | -176.7 | -174.4 | 170.7 | -72.2 | -152.2 | -1.6 | 112.3 | E184 Y185 N189 R190 | E184-R187 PolarHBondContact O-N 2.92Å; E184-R187 VanDerWaalsContact O-N 3.13Å; Y185-R187 VanDerWaalsContact C-N 3.35Å; R187-N189 PolarHBondContact O-N 3.33Å; R187-R190 PolarHBondContact O-N 2.85Å |
| 188 | E | 56.4 | Low | 58.8 | Low | 112 Ų | 112 | 132.7 Ų | 132.7 | 52% | 0.523 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.6 | -35.4 | -178 | -66.1 | 176.3 | 136.6 | 0 | 0 | 112 | R190 M191 M192 | E188-R190 PolarHBondContact O-N 3.42Å; E188-M191 PolarHBondContact O-N 3.44Å; E188-M192 PolarHBondContact O-N 2.88Å |
| 189 | N | 61.6 | Low | 60.7 | Low | 107 Ų | 107 | 130.1 Ų | 130.1 | 57% | 0.572 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.4 | -30.2 | 175 | -87.2 | -28.2 | 0 | 0 | 0 | 113.7 | Y185 R187 A193 | Y185-N189 PolarHBondContact O-ND2 3.01Å; R187-N189 PolarHBondContact O-N 3.33Å; N189-A193 VanDerWaalsContact O-CB 3.23Å; N189-A193 WeakPolarHBondContact O-CB 3.38Å; N189-A193 PolarHBondContact O-N 3.29Å |
| 190 | R | 66.3 | Low | 62.2 | Low | 205 Ų | 205 | 130.6 Ų | 130.6 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.4 | -37.5 | 173.7 | -73.7 | -173.8 | 176.9 | -179.2 | -0.7 | 112.6 | R187 E188 Y194 | R187-R190 PolarHBondContact O-N 2.85Å; E188-R190 PolarHBondContact O-N 3.42Å; R190-Y194 WeakPolarHBondContact O-CB 3.39Å; R190-Y194 PolarHBondContact O-N 2.89Å |
| 191 | M | 66.3 | Low | 64.6 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 70% | 0.7 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.8 | -38.1 | 176.4 | -66.7 | -172.4 | 66.8 | 0 | 0 | 111.4 | E188 Y194 A195 | E188-M191 PolarHBondContact O-N 3.44Å; M191-Y194 PolarHBondContact O-N 3.22Å; M191-A195 VanDerWaalsContact O-CB 3.31Å; M191-A195 WeakPolarHBondContact O-CB 3.44Å; M191-A195 PolarHBondContact O-N 3.21Å |
| 192 | M | 69.8 | Low | 66.4 | Low | 116 Ų | 116 | 126 Ų | 126 | 57% | 0.571 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.7 | -40.5 | 171.8 | -80.9 | -68.1 | -164.3 | 0 | 0 | 112.5 | E188 A195 K196 | E188-M192 PolarHBondContact O-N 2.88Å; M192-A195 PolarHBondContact O-N 3.36Å; M192-K196 WeakPolarHBondContact O-CB 3.36Å; M192-K196 VanDerWaalsContact O-CG 3.24Å; M192-K196 WeakPolarHBondContact O-CG 3.4Å; M192-K196 PolarHBondContact O-N 2.95Å |
| 193 | A | 77.6 | Confident | 67.6 | Low | 55 Ų | 55 | 125.4 Ų | 125.4 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.6 | -47.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N189 A195 K196 E197 | N189-A193 VanDerWaalsContact O-CB 3.23Å; N189-A193 WeakPolarHBondContact O-CB 3.38Å; N189-A193 PolarHBondContact O-N 3.29Å; A193-A195 PolarHBondContact O-N 3.23Å; A193-K196 PolarHBondContact O-N 3.46Å; A193-E197 VanDerWaalsContact O-CB 3.3Å; A193-E197 WeakPolarHBondContact O-CB 3.45Å; A193-E197 PolarHBondContact O-N 2.99Å |
| 194 | Y | 81.3 | Confident | 68.5 | Low | 158 Ų | 158 | 123.2 Ų | 123.2 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.2 | -40.8 | 176.5 | -178.8 | -103.7 | 0 | 0 | 0 | 112.7 | R190 M191 E197 L198 | R190-Y194 WeakPolarHBondContact O-CB 3.39Å; R190-Y194 PolarHBondContact O-N 2.89Å; M191-Y194 PolarHBondContact O-N 3.22Å; Y194-E197 PolarHBondContact O-N 2.88Å; Y194-L198 VanDerWaalsContact O-CB 3.23Å; Y194-L198 WeakPolarHBondContact O-CB 3.48Å; Y194-L198 PolarHBondContact O-N 2.75Å |
| 195 | A | 79 | Confident | 69.5 | Low | 38 Ų | 38 | 123.6 Ų | 123.6 | 31% | 0.314 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.7 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M191 M192 A193 E197 L198 I199 | M191-A195 VanDerWaalsContact O-CB 3.31Å; M191-A195 WeakPolarHBondContact O-CB 3.44Å; M191-A195 PolarHBondContact O-N 3.21Å; M192-A195 PolarHBondContact O-N 3.36Å; A193-A195 PolarHBondContact O-N 3.23Å; A195-E197 VanDerWaalsContact C-N 3.35Å; A195-L198 PolarHBondContact O-N 2.9Å; A195-I199 WeakPolarHBondContact O-CB 3.31Å; A195-I199 WeakPolarHBondContact O-CD1 3.27Å; A195-I199 VanDerWaalsContact O-CG1 3.22Å; A195-I199 WeakPolarHBondContact O-CG1 3.46Å; A195-I199 PolarHBondContact O-N 3.48Å |
| 196 | K | 79.7 | Confident | 70.5 | Confident | 142 Ų | 142 | 121.1 Ų | 121.1 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.4 | -38.6 | 175.1 | -74.4 | 173.4 | -179.5 | -176.7 | 0 | 112 | M192 A193 N200 | M192-K196 WeakPolarHBondContact O-CB 3.36Å; M192-K196 VanDerWaalsContact O-CG 3.24Å; M192-K196 WeakPolarHBondContact O-CG 3.4Å; M192-K196 PolarHBondContact O-N 2.95Å; A193-K196 PolarHBondContact O-N 3.46Å; K196-N200 WeakPolarHBondContact O-CB 3.3Å; K196-N200 PolarHBondContact O-N 3.18Å |
| 197 | E | 80.5 | Confident | 71.3 | Confident | 117 Ų | 117 | 120 Ų | 120 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.5 | -40.2 | 177.6 | -170.8 | 166.5 | -146.1 | 0 | 0 | 111.9 | A193 Y194 A195 N200 N201 | A193-E197 VanDerWaalsContact O-CB 3.3Å; A193-E197 WeakPolarHBondContact O-CB 3.45Å; A193-E197 PolarHBondContact O-N 2.99Å; Y194-E197 PolarHBondContact O-N 2.88Å; A195-E197 VanDerWaalsContact C-N 3.35Å; E197-N200 PolarHBondContact O-N 2.78Å; E197-N201 WeakPolarHBondContact O-CB 3.3Å; E197-N201 PolarHBondContact O-N 2.81Å; E197-N201 PolarHBondContact O-ND2 2.95Å |
| 198 | L | 78.8 | Confident | 71.8 | Confident | 87 Ų | 87 | 114.5 Ų | 114.5 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -47.9 | 171.2 | -178.9 | 65.6 | 0 | 0 | 0 | 111.1 | Y194 A195 N201 M202 | Y194-L198 VanDerWaalsContact O-CB 3.23Å; Y194-L198 WeakPolarHBondContact O-CB 3.48Å; Y194-L198 PolarHBondContact O-N 2.75Å; A195-L198 PolarHBondContact O-N 2.9Å; L198-N201 PolarHBondContact O-N 2.78Å; L198-M202 WeakPolarHBondContact O-CG 3.49Å; L198-M202 PolarHBondContact O-N 3.35Å |
| 199 | I | 80 | Confident | 71.9 | Confident | 93 Ų | 93 | 114.8 Ų | 114.8 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.3 | -51.3 | 175.5 | -68.9 | 163.6 | 0 | 0 | 0 | 110.1 | A195 N201 M202 W203 | A195-I199 WeakPolarHBondContact O-CB 3.31Å; A195-I199 WeakPolarHBondContact O-CD1 3.27Å; A195-I199 VanDerWaalsContact O-CG1 3.22Å; A195-I199 WeakPolarHBondContact O-CG1 3.46Å; A195-I199 PolarHBondContact O-N 3.48Å; I199-N201 PolarHBondContact O-N 2.86Å; I199-M202 WeakPolarHBondContact O-CB 3.16Å; I199-M202 PolarHBondContact O-N 3.21Å; I199-W203 PolarHBondContact O-N 3.38Å |
| 200 | N | 79.1 | Confident | 71.8 | Confident | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.8 | -37.1 | 178.3 | -106.3 | -13.4 | 0 | 0 | 0 | 112.6 | K196 E197 W203 K204 | K196-N200 WeakPolarHBondContact O-CB 3.3Å; K196-N200 PolarHBondContact O-N 3.18Å; E197-N200 PolarHBondContact O-N 2.78Å; N200-W203 PolarHBondContact O-N 3.29Å; N200-K204 WeakPolarHBondContact O-CG 3.49Å; N200-K204 PolarHBondContact O-N 2.98Å |
| 201 | N | 79.8 | Confident | 71.5 | Confident | 68 Ų | 68 | 114.6 Ų | 114.6 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.4 | -32.5 | 176.2 | -67.9 | -22.9 | 0 | 0 | 0 | 112.2 | E197 L198 I199 W203 K204 | E197-N201 WeakPolarHBondContact O-CB 3.3Å; E197-N201 PolarHBondContact O-N 2.81Å; E197-N201 PolarHBondContact O-ND2 2.95Å; L198-N201 PolarHBondContact O-N 2.78Å; I199-N201 PolarHBondContact O-N 2.86Å; N201-W203 PolarHBondContact O-N 3.07Å; N201-K204 PolarHBondContact O-N 2.78Å; N201-K204 WeakPolarHBondContact OD1-CE 3.49Å; N201-K204 PolarHBondContact OD1-NZ 3.05Å |
| 202 | M | 75.3 | Confident | 71.1 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 68% | 0.68 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -23.4 | 172.2 | -68.8 | 176.3 | 67.2 | 0 | 0 | 113.7 | L198 I199 | L198-M202 WeakPolarHBondContact O-CG 3.49Å; L198-M202 PolarHBondContact O-N 3.35Å; I199-M202 WeakPolarHBondContact O-CB 3.16Å; I199-M202 PolarHBondContact O-N 3.21Å |
| 203 | W | 69.2 | Low | 70.1 | Confident | 172 Ų | 172 | 116.9 Ų | 116.9 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -93.5 | -13.1 | 176.3 | -66.6 | 99.7 | 0 | 0 | 0 | 114.1 | I199 N200 N201 F206 | I199-W203 PolarHBondContact O-N 3.38Å; N200-W203 PolarHBondContact O-N 3.29Å; N201-W203 PolarHBondContact O-N 3.07Å; W203-F206 HydrophobicContact CE3-CD1 4.34Å; W203-F206 HydrophobicContact CZ3-CD1 4.42Å |
| 204 | K | 69.4 | Low | 68.3 | Low | 144 Ų | 144 | 119.1 Ų | 119.1 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.5 | -33.7 | 179.4 | -78.8 | 172.7 | -169.7 | 168.4 | 0 | 113.5 | N200 N201 | N200-K204 WeakPolarHBondContact O-CG 3.49Å; N200-K204 PolarHBondContact O-N 2.98Å; N201-K204 PolarHBondContact O-N 2.78Å; N201-K204 WeakPolarHBondContact OD1-CE 3.49Å; N201-K204 PolarHBondContact OD1-NZ 3.05Å |
| 205 | D | 66.2 | Low | 66.4 | Low | 150 Ų | 150 | 120.9 Ų | 120.9 | 80% | 0.802 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 10 | 179.8 | -59.6 | -26.5 | 0 | 0 | 0 | 112.3 | C207 | D205-C207 PolarHBondContact O-N 2.82Š|
| 206 | F | 63.5 | Low | 64.8 | Low | 114 Ų | 114 | 126.4 Ų | 126.4 | 50% | 0.5 | 61% | 0.608 | S | S | . | * | trans | -91.2 | 98.9 | -178.4 | -173.3 | -96.3 | 0 | 0 | 0 | 111.2 | W203 V208 | W203-F206 HydrophobicContact CE3-CD1 4.34Å; W203-F206 HydrophobicContact CZ3-CD1 4.42Å; F206-V208 HydrophobicContact CE1-CG2 4.06Å | ||
| 207 | C | 65.8 | Low | 62.8 | Low | 62 Ų | 62 | 125.4 Ų | 125.4 | 42% | 0.419 | 61% | 0.614 | S | S | . | * | trans | -106.8 | 129.1 | 174.8 | -163.6 | 0 | 0 | 0 | 0 | 110.6 | D205 E209 D210 | D205-C207 PolarHBondContact O-N 2.82Å; C207-E209 VanDerWaalsContact C-N 3.3Å; C207-E209 PolarHBondContact O-N 3.25Å; C207-E209 PolarHBondContact SG-OE2 3.27Å; C207-D210 PolarHBondContact O-N 2.92Å | ||
| 208 | V | 62.7 | Low | 60.8 | Low | 79 Ų | 79 | 123.1 Ų | 123.1 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | -29.5 | -175.1 | 179 | 0 | 0 | 0 | 0 | 111.3 | F206 D210 Y211 I212 | F206-V208 HydrophobicContact CE1-CG2 4.06Å; V208-D210 PolarHBondContact O-N 2.79Å; V208-Y211 PolarHBondContact O-N 3.23Å; V208-I212 HydrophobicContact CG1-CD1 3.96Å; V208-I212 HydrophobicContact CG1-CG1 4.36Å; V208-I212 PolarHBondContact O-N 2.83Å |
| 209 | E | 57.4 | Low | 58.8 | Low | 118 Ų | 118 | 128.5 Ų | 128.5 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.6 | -25.3 | 175.3 | -79.1 | 57.6 | -141.6 | 0 | 0 | 113.8 | C207 Y211 I212 R213 | C207-E209 VanDerWaalsContact C-N 3.3Å; C207-E209 PolarHBondContact O-N 3.25Å; C207-E209 PolarHBondContact SG-OE2 3.27Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-I212 PolarHBondContact O-N 3.22Å; E209-R213 PolarHBondContact O-N 3.4Å |
| 210 | D | 60.5 | Low | 56.8 | Low | 113 Ų | 113 | 132.9 Ų | 132.9 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.3 | -24.2 | 175.5 | -74.1 | -32 | 0 | 0 | 0 | 112.8 | C207 V208 | C207-D210 PolarHBondContact O-N 2.92Å; V208-D210 PolarHBondContact O-N 2.79Å |
| 211 | Y | 60 | Low | 54.7 | Low | 195 Ų | 195 | 134.7 Ų | 134.7 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -86.6 | -27.3 | 171.7 | -104 | -90.9 | 0 | 0 | 0 | 113.1 | V208 E209 R213 | V208-Y211 PolarHBondContact O-N 3.23Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; Y211-R213 PolarHBondContact O-N 3.2Å |
| 212 | I | 57.7 | Low | 52.7 | Low | 112 Ų | 112 | 134.8 Ų | 134.8 | 57% | 0.574 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.9 | -17.1 | 178 | -65.1 | 170.7 | 0 | 0 | 0 | 111.7 | V208 E209 C214 | V208-I212 HydrophobicContact CG1-CD1 3.96Å; V208-I212 HydrophobicContact CG1-CG1 4.36Å; V208-I212 PolarHBondContact O-N 2.83Å; E209-I212 PolarHBondContact O-N 3.22Å; I212-C214 PolarHBondContact O-N 3.03Å |
| 213 | R | 48.8 | Very low | 51.2 | Low | 194 Ų | 194 | 137.4 Ų | 137.4 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | trans | -75.9 | 63.9 | 175.5 | -154.8 | -179.9 | -56.4 | -138.6 | 4.3 | 112.4 | E209 Y211 K215 | E209-R213 PolarHBondContact O-N 3.4Å; Y211-R213 PolarHBondContact O-N 3.2Å; R213-K215 PolarHBondContact O-N 2.81Å | ||
| 214 | C | 38.7 | Very low | 50 | Low | 102 Ų | 102 | 138.3 Ų | 138.3 | 69% | 0.689 | 70% | 0.704 | S | S | * | * | trans | -46.7 | 122.3 | 166.3 | -71 | 0 | 0 | 0 | 0 | 110.1 | I212 D216 | I212-C214 PolarHBondContact O-N 3.03Å; C214-D216 PolarHBondContact O-N 3.45Å | ||
| 215 | K | 43.1 | Very low | 48.8 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 85% | 0.852 | 71% | 0.711 | S | S | * | * | trans | -77.5 | 71.7 | 171 | -76.8 | -165.5 | 176.3 | -175.7 | 0 | 111.1 | R213 T217 | R213-K215 PolarHBondContact O-N 2.81Å; K215-T217 PolarHBondContact O-N 2.96Å | ||
| 216 | D | 44.8 | Very low | 47.9 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -69.1 | 85.3 | 147 | -81.3 | -36.1 | 0 | 0 | 0 | 108.1 | C214 | C214-D216 PolarHBondContact O-N 3.45Š| ||
| 217 | T | 38.3 | Very low | 47.5 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | trans | -150.4 | 68.4 | 168.1 | 6.5 | 0 | 0 | 0 | 0 | 110.4 | K215 | K215-T217 PolarHBondContact O-N 2.96Š| ||
| 218 | G | 38.7 | Very low | 47.3 | Very low | 68 Ų | 68 | 152.9 Ų | 152.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -117.8 | 18.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 219 | F | 36.5 | Very low | 46.5 | Very low | 200 Ų | 200 | 161.1 Ų | 161.1 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -121.8 | 112 | -179.3 | -69.2 | -67.4 | 0 | 0 | 0 | 112.1 | ||||
| 220 | H | 37.7 | Very low | 46.3 | Very low | 185 Ų | 185 | 165.2 Ų | 165.2 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -63.5 | 133.1 | 164.1 | -72.3 | -90.8 | 0 | 0 | 0 | 110.1 | A222 | H220-A222 VanDerWaalsContact C-N 3.29Å; H220-A222 PolarHBondContact O-N 2.85Å | ||
| 221 | T | 34.1 | Very low | 45.9 | Very low | 143 Ų | 143 | 168.8 Ų | 168.8 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -67.8 | 86.6 | 168.7 | -38.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 222 | A | 37.7 | Very low | 45.4 | Very low | 71 Ų | 71 | 170.3 Ų | 170.3 | 59% | 0.587 | 81% | 0.813 | S | S | * | * | trans | -86.9 | 111.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | H220 K224 | H220-A222 VanDerWaalsContact C-N 3.29Å; H220-A222 PolarHBondContact O-N 2.85Å; A222-K224 PolarHBondContact O-N 2.94Å; A222-K224 VanDerWaalsContact O-N 3.17Å | ||
| 223 | E | 43.4 | Very low | 45.5 | Very low | 192 Ų | 192 | 170.1 Ų | 170.1 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -54.1 | 120.7 | 175 | -65.1 | -175.7 | 134.3 | 0 | 0 | 110.6 | ||||
| 224 | K | 45.5 | Very low | 45.9 | Very low | 191 Ų | 191 | 165.1 Ų | 165.1 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -123.3 | 113.6 | 169.1 | -73.7 | -176.8 | -179.8 | 173.8 | 0 | 108.9 | A222 | A222-K224 PolarHBondContact O-N 2.94Å; A222-K224 VanDerWaalsContact O-N 3.17Å | ||
| 225 | T | 44.1 | Very low | 47.1 | Very low | 125 Ų | 125 | 165.9 Ų | 165.9 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53 | 139.4 | -179.6 | 48.2 | 0 | 0 | 0 | 0 | 112 | K227 | T225-K227 PolarHBondContact O-N 3.07Å; T225-K227 VanDerWaalsContact O-N 3.15Å |
| 226 | R | 47 | Very low | 48.2 | Very low | 254 Ų | 254 | 163.7 Ų | 163.7 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 118.7 | 178.3 | -72.1 | 176.2 | 170.2 | 173.7 | -3.8 | 110.9 | ||
| 227 | K | 54.2 | Low | 49.3 | Very low | 194 Ų | 194 | 162.4 Ų | 162.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 137.5 | 161.9 | -70.3 | -173.2 | 177.5 | -178 | 0 | 109.2 | T225 | T225-K227 PolarHBondContact O-N 3.07Å; T225-K227 VanDerWaalsContact O-N 3.15Å |
| 228 | K | 61.8 | Low | 51.1 | Low | 203 Ų | 203 | 162.4 Ų | 162.4 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 156.6 | -174.7 | -67.6 | -173.3 | 178 | -176.9 | 0 | 111.5 | K230 | K228-K230 PolarHBondContact O-N 3.33Š|
| 229 | R | 47.2 | Very low | 52.9 | Low | 253 Ų | 253 | 164.2 Ų | 164.2 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 126.6 | 177.1 | -63.6 | -176.8 | 179.7 | -169.6 | -0.7 | 109.7 | ||
| 230 | K | 51.9 | Low | 54.9 | Low | 204 Ų | 204 | 163 Ų | 163 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 144.9 | 163.1 | -76.8 | -170.4 | 172.9 | -170 | 0 | 108.9 | K228 | K228-K230 PolarHBondContact O-N 3.33Š|
| 231 | E | 53.8 | Low | 57.2 | Low | 188 Ų | 188 | 157.1 Ų | 157.1 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.6 | 179.7 | -153.2 | 152.8 | -143 | 0 | 0 | 111 | V233 | E231-V233 PolarHBondContact O-N 3.25Å; E231-V233 VanDerWaalsContact O-N 3.14Å |
| 232 | W | 48 | Very low | 59.5 | Low | 227 Ų | 227 | 155.7 Ų | 155.7 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -79.7 | 100.9 | -170.2 | -170.3 | 77.6 | 0 | 0 | 0 | 110.8 | P234 | W232-P234 HydrophobicContact CH2-CB 4.28Å; W232-P234 HydrophobicContact CZ3-CB 4.38Å | ||
| 233 | V | 61.3 | Low | 61.8 | Low | 108 Ų | 108 | 160.6 Ų | 160.6 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | -93.7 | 130.5 | 164.5 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | E231 T235 | E231-V233 PolarHBondContact O-N 3.25Å; E231-V233 VanDerWaalsContact O-N 3.14Å; V233-T235 VanDerWaalsContact C-N 3.25Å; V233-T235 PolarHBondContact O-N 2.9Å | ||
| 234 | P | 56.1 | Low | 63.3 | Low | 89 Ų | 89 | 156.8 Ų | 156.8 | 58% | 0.578 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 81.7 | 179.7 | 29.3 | -35.2 | 0 | 0 | 0 | 110.8 | W232 I236 | W232-P234 HydrophobicContact CH2-CB 4.28Å; W232-P234 HydrophobicContact CZ3-CB 4.38Å; P234-I236 PolarHBondContact O-N 3.26Å | ||
| 235 | T | 64.9 | Low | 65.1 | Low | 118 Ų | 118 | 151.5 Ų | 151.5 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | -70.9 | 107.2 | 166.9 | -47.6 | 0 | 0 | 0 | 0 | 107.1 | V233 T237 | V233-T235 VanDerWaalsContact C-N 3.25Å; V233-T235 PolarHBondContact O-N 2.9Å; T235-T237 PolarHBondContact O-N 3.22Å | ||
| 236 | I | 64.8 | Low | 67.1 | Low | 150 Ų | 150 | 148.5 Ų | 148.5 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -55.7 | 111.1 | 177.7 | -63.1 | 172.1 | 0 | 0 | 0 | 108 | P234 V238 | P234-I236 PolarHBondContact O-N 3.26Å; I236-V238 VanDerWaalsContact C-N 3.32Å; I236-V238 PolarHBondContact O-N 2.97Å | ||
| 237 | T | 69 | Low | 68.9 | Low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | -71.7 | 90.7 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 108.5 | T235 P239 | T235-T237 PolarHBondContact O-N 3.22Å; T237-P239 WeakPolarHBondContact O-CD 3.31Å | ||
| 238 | V | 74.9 | Confident | 70.4 | Confident | 120 Ų | 120 | 141.3 Ų | 141.3 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 116.9 | 166.7 | -178 | 0 | 0 | 0 | 0 | 106.6 | I236 E240 | I236-V238 VanDerWaalsContact C-N 3.32Å; I236-V238 PolarHBondContact O-N 2.97Å; V238-E240 PolarHBondContact O-N 3.49Å |
| 239 | P | 77 | Confident | 71.4 | Confident | 106 Ų | 106 | 137.3 Ų | 137.3 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.8 | 179.6 | 25.8 | -33.4 | 0 | 0 | 0 | 109.4 | T237 | T237-P239 WeakPolarHBondContact O-CD 3.31Š|
| 240 | E | 78.8 | Confident | 73.1 | Confident | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 126.1 | 176.5 | -170.7 | 176.8 | 173.3 | 0 | 0 | 108.9 | V238 F242 | V238-E240 PolarHBondContact O-N 3.49Å; E240-F242 PolarHBondContact O-N 3.27Å |
| 241 | P | 85.4 | Confident | 74.5 | Confident | 61 Ų | 61 | 128.4 Ų | 128.4 | 40% | 0.396 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 129.7 | -174.4 | 23.8 | -33.1 | 0 | 0 | 0 | 110 | M245 I246 | P241-M245 HydrophobicContact CB-CB 4.16Å; P241-M245 HydrophobicContact CB-CE 3.61Å; P241-M245 HydrophobicContact CB-SD 4.39Å; P241-I246 HydrophobicContact CB-CG1 4.42Å; P241-I246 HydrophobicContact CG-CD1 4.36Å; P241-I246 HydrophobicContact CG-CG1 4.14Å |
| 242 | F | 82.3 | Confident | 75.7 | Confident | 114 Ų | 114 | 125.5 Ų | 125.5 | 50% | 0.5 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 146.5 | -179.4 | 57 | -107.8 | 0 | 0 | 0 | 111.1 | E240 M244 M245 I246 | E240-F242 PolarHBondContact O-N 3.27Å; F242-M244 HydrophobicContact CD2-CB 3.6Å; F242-M244 HydrophobicContact CD2-CE 4.02Å; F242-M244 HydrophobicContact CD2-CG 4.32Å; F242-M244 HydrophobicContact CE2-CB 3.7Å; F242-M244 HydrophobicContact CE2-CE 3.32Å; F242-M244 HydrophobicContact CE2-CG 3.89Å; F242-M244 HydrophobicContact CE2-SD 4.45Å; F242-M244 HydrophobicContact CZ-CE 3.86Å; F242-M244 PolarHBondContact O-N 2.88Å; F242-M245 HydrophobicContact CD1-CE 3.62Å; F242-M245 HydrophobicContact CD1-CG 3.96Å; F242-M245 HydrophobicContact CD2-CB 4.08Å; F242-M245 HydrophobicContact CD2-CG 3.65Å; F242-M245 HydrophobicContact CE1-CE 3.66Å; F242-M245 HydrophobicContact CE1-CG 3.58Å; F242-M245 HydrophobicContact CE1-SD 4.07Å; F242-M245 HydrophobicContact CE2-CB 4Å; F242-M245 HydrophobicContact CE2-CG 3.25Å; F242-M245 HydrophobicContact CG-CE 4.24Å; F242-M245 HydrophobicContact CG-CG 4.01Å; F242-M245 HydrophobicContact CZ-CB 4.41Å; F242-M245 HydrophobicContact CZ-CE 4.32Å; F242-M245 HydrophobicContact CZ-CG 3.22Å; F242-M245 HydrophobicContact CZ-SD 4.18Å; F242-M245 WeakPolarHBondContact O-CA 3.35Å; F242-M245 WeakPolarHBondContact O-CB 3.29Å; F242-M245 PolarHBondContact O-N 3.33Å; F242-I246 PolarHBondContact O-N 2.98Å |
| 243 | Q | 85.8 | Confident | 77.1 | Confident | 173 Ų | 173 | 119.6 Ų | 119.6 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -55.8 | -28 | -171.7 | -66.5 | -178.4 | -1.9 | 0 | 0 | 113.7 | I246 R247 | Q243-I246 PolarHBondContact O-N 3.39Å; Q243-R247 WeakPolarHBondContact O-CB 3.22Å; Q243-R247 PolarHBondContact O-N 3.1Å |
| 244 | M | 75.8 | Confident | 77.5 | Confident | 113 Ų | 113 | 120.2 Ų | 120.2 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.2 | -35.6 | 171.7 | 172.3 | 179.2 | 76.5 | 0 | 0 | 113.4 | F242 R247 E248 | F242-M244 HydrophobicContact CD2-CB 3.6Å; F242-M244 HydrophobicContact CD2-CE 4.02Å; F242-M244 HydrophobicContact CD2-CG 4.32Å; F242-M244 HydrophobicContact CE2-CB 3.7Å; F242-M244 HydrophobicContact CE2-CE 3.32Å; F242-M244 HydrophobicContact CE2-CG 3.89Å; F242-M244 HydrophobicContact CE2-SD 4.45Å; F242-M244 HydrophobicContact CZ-CE 3.86Å; F242-M244 PolarHBondContact O-N 2.88Å; M244-R247 PolarHBondContact O-N 3.48Å; M244-E248 WeakPolarHBondContact O-CG 3.38Å; M244-E248 PolarHBondContact O-N 2.95Å |
| 245 | M | 83.3 | Confident | 77.8 | Confident | 80 Ų | 80 | 120.3 Ų | 120.3 | 39% | 0.394 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.7 | -44.6 | 170 | -73.2 | -154.6 | -93.7 | 0 | 0 | 111 | P241 F242 R247 E248 Q249 | P241-M245 HydrophobicContact CB-CB 4.16Å; P241-M245 HydrophobicContact CB-CE 3.61Å; P241-M245 HydrophobicContact CB-SD 4.39Å; F242-M245 HydrophobicContact CD1-CE 3.62Å; F242-M245 HydrophobicContact CD1-CG 3.96Å; F242-M245 HydrophobicContact CD2-CB 4.08Å; F242-M245 HydrophobicContact CD2-CG 3.65Å; F242-M245 HydrophobicContact CE1-CE 3.66Å; F242-M245 HydrophobicContact CE1-CG 3.58Å; F242-M245 HydrophobicContact CE1-SD 4.07Å; F242-M245 HydrophobicContact CE2-CB 4Å; F242-M245 HydrophobicContact CE2-CG 3.25Å; F242-M245 HydrophobicContact CG-CE 4.24Å; F242-M245 HydrophobicContact CG-CG 4.01Å; F242-M245 HydrophobicContact CZ-CB 4.41Å; F242-M245 HydrophobicContact CZ-CE 4.32Å; F242-M245 HydrophobicContact CZ-CG 3.22Å; F242-M245 HydrophobicContact CZ-SD 4.18Å; F242-M245 WeakPolarHBondContact O-CA 3.35Å; F242-M245 WeakPolarHBondContact O-CB 3.29Å; F242-M245 PolarHBondContact O-N 3.33Å; M245-R247 PolarHBondContact O-N 3.17Å; M245-E248 PolarHBondContact O-N 3.41Å; M245-Q249 WeakPolarHBondContact O-CB 3.22Å; M245-Q249 PolarHBondContact O-N 3.07Å |
| 246 | I | 85.9 | Confident | 77.8 | Confident | 62 Ų | 62 | 122.1 Ų | 122.1 | 32% | 0.318 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.2 | -38.8 | 178.6 | -57.5 | 175.6 | 0 | 0 | 0 | 110.1 | P241 F242 Q243 K250 | P241-I246 HydrophobicContact CB-CG1 4.42Å; P241-I246 HydrophobicContact CG-CD1 4.36Å; P241-I246 HydrophobicContact CG-CG1 4.14Å; F242-I246 PolarHBondContact O-N 2.98Å; Q243-I246 PolarHBondContact O-N 3.39Å; I246-K250 HydrophobicContact CG2-CD 4.41Å; I246-K250 WeakPolarHBondContact O-CB 3.46Å; I246-K250 WeakPolarHBondContact O-CG 3.12Å; I246-K250 PolarHBondContact O-N 3.39Å |
| 247 | R | 85.9 | Confident | 77.9 | Confident | 200 Ų | 200 | 120.2 Ų | 120.2 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.7 | -44.5 | 174.1 | -174.6 | -179.7 | -177.7 | 177.9 | 0.5 | 112.3 | Q243 M244 M245 K251 | Q243-R247 WeakPolarHBondContact O-CB 3.22Å; Q243-R247 PolarHBondContact O-N 3.1Å; M244-R247 PolarHBondContact O-N 3.48Å; M245-R247 PolarHBondContact O-N 3.17Å; R247-K251 VanDerWaalsContact O-CB 3.31Å; R247-K251 WeakPolarHBondContact O-CB 3.39Å; R247-K251 PolarHBondContact O-N 2.97Å |
| 248 | E | 85.3 | Confident | 77.8 | Confident | 96 Ų | 96 | 116.3 Ų | 116.3 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.9 | -37.2 | 177.5 | -77.6 | -175.4 | -170.2 | 0 | 0 | 112.9 | M244 M245 K251 K252 | M244-E248 WeakPolarHBondContact O-CG 3.38Å; M244-E248 PolarHBondContact O-N 2.95Å; M245-E248 PolarHBondContact O-N 3.41Å; E248-K251 PolarHBondContact O-N 3.24Å; E248-K252 WeakPolarHBondContact O-CB 3.4Å; E248-K252 WeakPolarHBondContact O-CG 3.29Å; E248-K252 PolarHBondContact O-N 3.31Å |
| 249 | Q | 82.6 | Confident | 77.4 | Confident | 119 Ų | 119 | 119 Ų | 119 | 56% | 0.556 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.4 | -41.8 | 178.2 | -170.4 | 162.7 | -23.8 | 0 | 0 | 111.2 | M245 K251 K252 E253 | M245-Q249 WeakPolarHBondContact O-CB 3.22Å; M245-Q249 PolarHBondContact O-N 3.07Å; Q249-K251 VanDerWaalsContact C-N 3.35Å; Q249-K251 PolarHBondContact O-N 3.12Å; Q249-K252 CarbonylContact O-C 3.58Å; Q249-K252 WeakPolarHBondContact O-CB 3.42Å; Q249-K252 PolarHBondContact O-N 3.35Å; Q249-K252 VanDerWaalsContact O-N 3.16Å; Q249-E253 WeakPolarHBondContact O-CG 3.32Å; Q249-E253 PolarHBondContact O-N 2.89Å |
| 250 | K | 82.6 | Confident | 77 | Confident | 121 Ų | 121 | 117.3 Ų | 117.3 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.2 | -42.4 | 169 | -75 | 178.5 | 178.5 | -177.5 | 0 | 112.4 | I246 K252 E253 E254 | I246-K250 HydrophobicContact CG2-CD 4.41Å; I246-K250 WeakPolarHBondContact O-CB 3.46Å; I246-K250 WeakPolarHBondContact O-CG 3.12Å; I246-K250 PolarHBondContact O-N 3.39Å; K250-K252 VanDerWaalsContact C-N 3.31Å; K250-K252 PolarHBondContact O-N 3.04Å; K250-E253 PolarHBondContact O-N 3.41Å; K250-E254 WeakPolarHBondContact O-CB 3.45Å; K250-E254 VanDerWaalsContact O-CG 3.29Å; K250-E254 WeakPolarHBondContact O-CG 3.26Å; K250-E254 PolarHBondContact O-N 2.86Å |
| 251 | K | 81.4 | Confident | 76.9 | Confident | 149 Ų | 149 | 113.1 Ų | 113.1 | 65% | 0.648 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.4 | -37.6 | 174.3 | -174.1 | -176.7 | 177 | -171.2 | 0 | 111.8 | R247 E248 Q249 S255 | R247-K251 VanDerWaalsContact O-CB 3.31Å; R247-K251 WeakPolarHBondContact O-CB 3.39Å; R247-K251 PolarHBondContact O-N 2.97Å; E248-K251 PolarHBondContact O-N 3.24Å; Q249-K251 VanDerWaalsContact C-N 3.35Å; Q249-K251 PolarHBondContact O-N 3.12Å; K251-S255 WeakPolarHBondContact O-CB 3.39Å; K251-S255 PolarHBondContact O-N 3.25Å; K251-S255 PolarHBondContact O-OG 3.36Å |
| 252 | K | 78.5 | Confident | 76.4 | Confident | 127 Ų | 127 | 114.8 Ų | 114.8 | 55% | 0.552 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.9 | -49.2 | 173.4 | -78.3 | 172.7 | 179.8 | 172 | 0 | 111 | E248 Q249 K250 E254 S255 M256 | E248-K252 WeakPolarHBondContact O-CB 3.4Å; E248-K252 WeakPolarHBondContact O-CG 3.29Å; E248-K252 PolarHBondContact O-N 3.31Å; Q249-K252 CarbonylContact O-C 3.58Å; Q249-K252 WeakPolarHBondContact O-CB 3.42Å; Q249-K252 PolarHBondContact O-N 3.35Å; Q249-K252 VanDerWaalsContact O-N 3.16Å; K250-K252 VanDerWaalsContact C-N 3.31Å; K250-K252 PolarHBondContact O-N 3.04Å; K252-E254 VanDerWaalsContact C-N 3.31Å; K252-E254 PolarHBondContact O-N 3.46Å; K252-S255 WeakPolarHBondContact CA-OG 3.31Å; K252-S255 CarbonylContact O-C 3.59Å; K252-S255 PolarHBondContact O-N 3.02Å; K252-S255 PolarHBondContact O-OG 2.9Å; K252-M256 WeakPolarHBondContact O-CB 3.2Å; K252-M256 WeakPolarHBondContact O-CG 3.38Å; K252-M256 PolarHBondContact O-N 3.42Å |
| 253 | E | 76.9 | Confident | 76.3 | Confident | 104 Ų | 104 | 114.1 Ų | 114.1 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 174.3 | -72.6 | 167.2 | -163 | 0 | 0 | 112.2 | Q249 K250 M256 K257 | Q249-E253 WeakPolarHBondContact O-CG 3.32Å; Q249-E253 PolarHBondContact O-N 2.89Å; K250-E253 PolarHBondContact O-N 3.41Å; E253-M256 PolarHBondContact O-N 2.84Å; E253-K257 WeakPolarHBondContact O-CG 3.35Å; E253-K257 PolarHBondContact O-N 3.27Å |
| 254 | E | 70.3 | Confident | 76 | Confident | 120 Ų | 120 | 111.7 Ų | 111.7 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -35.4 | 174 | -74.5 | 168.5 | -177.6 | 0 | 0 | 112.9 | K250 K252 | K250-E254 WeakPolarHBondContact O-CB 3.45Å; K250-E254 VanDerWaalsContact O-CG 3.29Å; K250-E254 WeakPolarHBondContact O-CG 3.26Å; K250-E254 PolarHBondContact O-N 2.86Å; K252-E254 VanDerWaalsContact C-N 3.31Å; K252-E254 PolarHBondContact O-N 3.46Å |
| 255 | S | 63.4 | Low | 76.4 | Confident | 92 Ų | 92 | 111 Ų | 111 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -78.1 | -22.4 | 173.5 | 71 | 0 | 0 | 0 | 0 | 114.3 | K251 K252 | K251-S255 WeakPolarHBondContact O-CB 3.39Å; K251-S255 PolarHBondContact O-N 3.25Å; K251-S255 PolarHBondContact O-OG 3.36Å; K252-S255 WeakPolarHBondContact CA-OG 3.31Å; K252-S255 CarbonylContact O-C 3.59Å; K252-S255 PolarHBondContact O-N 3.02Å; K252-S255 PolarHBondContact O-OG 2.9Å |
| 256 | M | 64 | Low | 76.2 | Confident | 155 Ų | 155 | 112.1 Ų | 112.1 | 76% | 0.764 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -84.4 | -18.7 | 177.2 | -72.7 | -78.9 | -170.7 | 0 | 0 | 112.4 | K252 E253 S258 | K252-M256 WeakPolarHBondContact O-CB 3.2Å; K252-M256 WeakPolarHBondContact O-CG 3.38Å; K252-M256 PolarHBondContact O-N 3.42Å; E253-M256 PolarHBondContact O-N 2.84Å; M256-S258 PolarHBondContact O-N 2.96Å |
| 257 | K | 67.6 | Low | 75.9 | Confident | 111 Ų | 111 | 114.4 Ų | 114.4 | 48% | 0.483 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -59 | 112 | 166.8 | -74.3 | 166 | -165.9 | 167.6 | 0 | 108 | E253 I262 | E253-K257 WeakPolarHBondContact O-CG 3.35Å; E253-K257 PolarHBondContact O-N 3.27Å; K257-I262 HydrophobicContact CB-CD1 4.2Å; K257-I262 HydrophobicContact CB-CG1 4.15Å |
| 258 | S | 66.8 | Low | 75.7 | Confident | 45 Ų | 45 | 110.6 Ų | 110.6 | 32% | 0.315 | 55% | 0.545 | S | S | . | . | trans | -61.3 | 150 | -179.7 | 74.7 | 0 | 0 | 0 | 0 | 109.2 | M256 S260 D261 I262 | M256-S258 PolarHBondContact O-N 2.96Å; S258-S260 WeakPolarHBondContact CB-OG 3.45Å; S258-S260 PolarHBondContact O-N 3.35Å; S258-S260 VanDerWaalsContact O-N 3.1Å; S258-S260 PolarHBondContact OG-OG 2.82Å; S258-D261 WeakPolarHBondContact CB-OD2 3.23Å; S258-D261 PolarHBondContact N-OD2 3.48Å; S258-D261 VanDerWaalsContact N-OD2 3.13Å; S258-D261 PolarHBondContact O-N 3.43Å; S258-D261 PolarHBondContact OG-N 2.83Å; S258-D261 PolarHBondContact OG-OD2 2.85Å; S258-I262 PolarHBondContact O-N 2.89Å | ||
| 259 | K | 66.3 | Low | 75.3 | Confident | 177 Ų | 177 | 110.1 Ų | 110.1 | 77% | 0.77 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -55.3 | -33 | 177.9 | -66.8 | 178.2 | 180 | 175.1 | 0 | 111.3 | I262 E263 | K259-I262 PolarHBondContact O-N 2.91Å; K259-E263 WeakPolarHBondContact O-CB 3.32Å; K259-E263 WeakPolarHBondContact O-CG 3.32Å; K259-E263 PolarHBondContact O-N 3.35Å |
| 260 | S | 68.9 | Low | 75.1 | Confident | 70 Ų | 70 | 109 Ų | 109 | 49% | 0.49 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 171.4 | 22.5 | 0 | 0 | 0 | 0 | 114.1 | S258 E263 M264 | S258-S260 WeakPolarHBondContact CB-OG 3.45Å; S258-S260 PolarHBondContact O-N 3.35Å; S258-S260 VanDerWaalsContact O-N 3.1Å; S258-S260 PolarHBondContact OG-OG 2.82Å; S260-E263 PolarHBondContact O-N 2.97Å; S260-M264 WeakPolarHBondContact O-CB 3.18Å; S260-M264 WeakPolarHBondContact O-CG 3.42Å; S260-M264 PolarHBondContact O-N 3.42Å |
| 261 | D | 75.8 | Confident | 74.8 | Confident | 87 Ų | 87 | 109.6 Ų | 109.6 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 179.8 | -58.9 | -47.4 | 0 | 0 | 0 | 111.2 | S258 M264 V265 | S258-D261 WeakPolarHBondContact CB-OD2 3.23Å; S258-D261 PolarHBondContact N-OD2 3.48Å; S258-D261 VanDerWaalsContact N-OD2 3.13Å; S258-D261 PolarHBondContact O-N 3.43Å; S258-D261 PolarHBondContact OG-N 2.83Å; S258-D261 PolarHBondContact OG-OD2 2.85Å; D261-M264 PolarHBondContact O-N 3.06Å; D261-V265 WeakPolarHBondContact O-CG2 3.38Å; D261-V265 PolarHBondContact O-N 3.1Å |
| 262 | I | 75.3 | Confident | 74.3 | Confident | 96 Ų | 96 | 109.2 Ų | 109.2 | 49% | 0.492 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 176.8 | -60 | 171.5 | 0 | 0 | 0 | 110 | K257 S258 K259 H266 | K257-I262 HydrophobicContact CB-CD1 4.2Å; K257-I262 HydrophobicContact CB-CG1 4.15Å; S258-I262 PolarHBondContact O-N 2.89Å; K259-I262 PolarHBondContact O-N 2.91Å; I262-H266 VanDerWaalsContact O-CB 3.31Å; I262-H266 WeakPolarHBondContact O-CB 3.39Å; I262-H266 PolarHBondContact O-N 3.06Å |
| 263 | E | 79.3 | Confident | 74.1 | Confident | 99 Ų | 99 | 108.9 Ų | 108.9 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 173.4 | -81 | -172.6 | -147.6 | 0 | 0 | 113.3 | K259 S260 H266 K267 | K259-E263 WeakPolarHBondContact O-CB 3.32Å; K259-E263 WeakPolarHBondContact O-CG 3.32Å; K259-E263 PolarHBondContact O-N 3.35Å; S260-E263 PolarHBondContact O-N 2.97Å; E263-H266 PolarHBondContact O-N 2.7Å; E263-K267 WeakPolarHBondContact O-CB 3.49Å; E263-K267 WeakPolarHBondContact O-CD 3.48Å; E263-K267 WeakPolarHBondContact O-CG 3.26Å; E263-K267 PolarHBondContact O-N 3.37Å; E263-K267 IonicContact OE2-NZ 2.82Å; E263-K267 PolarHBondContact OE2-NZ 3.47Å |
| 264 | M | 80.4 | Confident | 73.9 | Confident | 122 Ų | 122 | 108.7 Ų | 108.7 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 176.7 | -77.9 | -85.1 | -76.7 | 0 | 0 | 111.1 | S260 D261 H266 K267 L268 | S260-M264 WeakPolarHBondContact O-CB 3.18Å; S260-M264 WeakPolarHBondContact O-CG 3.42Å; S260-M264 PolarHBondContact O-N 3.42Å; D261-M264 PolarHBondContact O-N 3.06Å; M264-H266 PolarHBondContact O-N 3.42Å; M264-K267 PolarHBondContact O-N 3.05Å; M264-L268 PolarHBondContact O-N 2.95Å |
| 265 | V | 83.4 | Confident | 73.8 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 61% | 0.606 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | D261 L268 L269 | D261-V265 WeakPolarHBondContact O-CG2 3.38Å; D261-V265 PolarHBondContact O-N 3.1Å; V265-L268 WeakPolarHBondContact O-CB 3.5Å; V265-L268 PolarHBondContact O-N 3.07Å; V265-L269 PolarHBondContact O-N 3.39Å |
| 266 | H | 79.3 | Confident | 74.1 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 178.5 | -177.5 | -126.2 | 0 | 0 | 0 | 112.9 | I262 E263 M264 L269 K270 | I262-H266 VanDerWaalsContact O-CB 3.31Å; I262-H266 WeakPolarHBondContact O-CB 3.39Å; I262-H266 PolarHBondContact O-N 3.06Å; E263-H266 PolarHBondContact O-N 2.7Å; M264-H266 PolarHBondContact O-N 3.42Å; H266-L269 PolarHBondContact O-N 2.92Å; H266-K270 WeakPolarHBondContact O-CG 3.25Å; H266-K270 PolarHBondContact O-N 3.37Å |
| 267 | K | 80.7 | Confident | 74.2 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 173.3 | -74 | 163.2 | -169.3 | 161.4 | 0 | 112 | E263 M264 K271 | E263-K267 WeakPolarHBondContact O-CB 3.49Å; E263-K267 WeakPolarHBondContact O-CD 3.48Å; E263-K267 WeakPolarHBondContact O-CG 3.26Å; E263-K267 PolarHBondContact O-N 3.37Å; E263-K267 IonicContact OE2-NZ 2.82Å; E263-K267 PolarHBondContact OE2-NZ 3.47Å; M264-K267 PolarHBondContact O-N 3.05Å; K267-K271 WeakPolarHBondContact O-CG 3.28Å; K267-K271 PolarHBondContact O-N 2.92Å |
| 268 | L | 81.3 | Confident | 74 | Confident | 120 Ų | 120 | 105.1 Ų | 105.1 | 63% | 0.628 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.9 | -44.9 | 173.1 | -98.9 | 148.3 | 0 | 0 | 0 | 112 | M264 V265 K271 Q272 | M264-L268 PolarHBondContact O-N 2.95Å; V265-L268 WeakPolarHBondContact O-CB 3.5Å; V265-L268 PolarHBondContact O-N 3.07Å; L268-K271 PolarHBondContact O-N 2.91Å; L268-Q272 PolarHBondContact O-N 3.22Å |
| 269 | L | 77.8 | Confident | 74 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 45% | 0.45 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -46.1 | 178.1 | -158.3 | 77.9 | 0 | 0 | 0 | 111.5 | V265 H266 K271 Q272 E273 | V265-L269 PolarHBondContact O-N 3.39Å; H266-L269 PolarHBondContact O-N 2.92Å; L269-K271 PolarHBondContact O-N 2.97Å; L269-Q272 WeakPolarHBondContact O-CB 3.22Å; L269-Q272 PolarHBondContact O-N 3.29Å; L269-Q272 VanDerWaalsContact O-N 3.16Å; L269-E273 PolarHBondContact O-N 3.36Å |
| 270 | K | 77.9 | Confident | 74.6 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 176.4 | -80.1 | -171.5 | 169 | -165.8 | 0 | 113.3 | H266 Q272 E273 E274 | H266-K270 WeakPolarHBondContact O-CG 3.25Å; H266-K270 PolarHBondContact O-N 3.37Å; K270-Q272 VanDerWaalsContact C-N 3.28Å; K270-Q272 PolarHBondContact O-N 3.45Å; K270-E273 CarbonylContact O-C 3.58Å; K270-E273 PolarHBondContact O-N 3.46Å; K270-E273 VanDerWaalsContact O-N 3.1Å; K270-E274 WeakPolarHBondContact O-CB 3.45Å; K270-E274 WeakPolarHBondContact O-CG 3.47Å; K270-E274 PolarHBondContact O-N 3.5Å |
| 271 | K | 76.5 | Confident | 75 | Confident | 134 Ų | 134 | 114.5 Ų | 114.5 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.6 | -40.4 | 176.5 | -73.8 | 177.4 | 177.3 | -170.8 | 0 | 112.2 | K267 L268 L269 E273 E274 D275 | K267-K271 WeakPolarHBondContact O-CG 3.28Å; K267-K271 PolarHBondContact O-N 2.92Å; L268-K271 PolarHBondContact O-N 2.91Å; L269-K271 PolarHBondContact O-N 2.97Å; K271-E273 VanDerWaalsContact C-N 3.29Å; K271-E273 PolarHBondContact O-N 3.05Å; K271-E274 PolarHBondContact O-N 2.92Å; K271-D275 PolarHBondContact O-N 2.91Å |
| 272 | Q | 70.9 | Confident | 75.1 | Confident | 140 Ų | 140 | 119.3 Ų | 119.3 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.8 | -31 | 176.9 | -169.5 | 177.1 | 10.9 | 0 | 0 | 112.8 | L268 L269 K270 P276 | L268-Q272 PolarHBondContact O-N 3.22Å; L269-Q272 WeakPolarHBondContact O-CB 3.22Å; L269-Q272 PolarHBondContact O-N 3.29Å; L269-Q272 VanDerWaalsContact O-N 3.16Å; K270-Q272 VanDerWaalsContact C-N 3.28Å; K270-Q272 PolarHBondContact O-N 3.45Å; Q272-P276 VanDerWaalsContact O-CD 3.26Å; Q272-P276 WeakPolarHBondContact O-CD 3.41Å |
| 273 | E | 74.3 | Confident | 75.4 | Confident | 121 Ų | 121 | 124.8 Ų | 124.8 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.9 | -35.4 | 173.9 | -68.8 | 176.5 | 170 | 0 | 0 | 112.5 | L269 K270 K271 P276 E277 | L269-E273 PolarHBondContact O-N 3.36Å; K270-E273 CarbonylContact O-C 3.58Å; K270-E273 PolarHBondContact O-N 3.46Å; K270-E273 VanDerWaalsContact O-N 3.1Å; K271-E273 VanDerWaalsContact C-N 3.29Å; K271-E273 PolarHBondContact O-N 3.05Å; E273-P276 WeakPolarHBondContact O-CD 3.31Å; E273-P276 VanDerWaalsContact O-CG 3.23Å; E273-P276 WeakPolarHBondContact O-CG 3.43Å; E273-E277 WeakPolarHBondContact O-CG 3.49Å |
| 274 | E | 72.8 | Confident | 75.6 | Confident | 99 Ų | 99 | 124 Ų | 124 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.7 | -35.7 | -179.8 | -72.7 | 161.8 | -167.5 | 0 | 0 | 112.9 | K270 K271 E277 C278 | K270-E274 WeakPolarHBondContact O-CB 3.45Å; K270-E274 WeakPolarHBondContact O-CG 3.47Å; K270-E274 PolarHBondContact O-N 3.5Å; K271-E274 PolarHBondContact O-N 2.92Å; E274-E277 PolarHBondContact O-N 2.79Å; E274-C278 PolarHBondContact O-N 3.44Å; E274-C278 PolarHBondContact O-SG 3.48Å |
| 275 | D | 68.3 | Low | 75.8 | Confident | 103 Ų | 103 | 125.5 Ų | 125.5 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -54.5 | -39.2 | 179.2 | -83.6 | -26.9 | 0 | 0 | 0 | 116.3 | K271 K279 | K271-D275 PolarHBondContact O-N 2.91Å; D275-K279 WeakPolarHBondContact O-CD 3.18Å; D275-K279 VanDerWaalsContact O-CE 3.25Å; D275-K279 WeakPolarHBondContact O-CE 3.43Å; D275-K279 PolarHBondContact O-NZ 2.97Å |
| 276 | P | 67.9 | Low | 75.9 | Confident | 69 Ų | 69 | 126.4 Ų | 126.4 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -81.4 | -21.5 | 170.3 | 30 | -36.7 | 0 | 0 | 0 | 113.9 | Q272 E273 | Q272-P276 VanDerWaalsContact O-CD 3.26Å; Q272-P276 WeakPolarHBondContact O-CD 3.41Å; E273-P276 WeakPolarHBondContact O-CD 3.31Å; E273-P276 VanDerWaalsContact O-CG 3.23Å; E273-P276 WeakPolarHBondContact O-CG 3.43Å |
| 277 | E | 67.3 | Low | 76 | Confident | 115 Ų | 115 | 125.7 Ų | 125.7 | 54% | 0.537 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -79.2 | -40.7 | 179.9 | -59.9 | -138 | 123.3 | 0 | 0 | 112.4 | E273 E274 K279 K280 | E273-E277 WeakPolarHBondContact O-CG 3.49Å; E274-E277 PolarHBondContact O-N 2.79Å; E277-K279 PolarHBondContact O-N 3.21Å; E277-K280 WeakPolarHBondContact O-CB 3.37Å; E277-K280 PolarHBondContact O-N 3.35Å; E277-K280 IonicContact OE1-NZ 3.73Å; E277-K280 PolarHBondContact OE1-NZ 2.65Å |
| 278 | C | 62.3 | Low | 76.3 | Confident | 117 Ų | 117 | 124.4 Ų | 124.4 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -14.4 | 174.1 | -70.1 | 0 | 0 | 0 | 0 | 113.8 | E274 | E274-C278 PolarHBondContact O-N 3.44Å; E274-C278 PolarHBondContact O-SG 3.48Å |
| 279 | K | 68.5 | Low | 76.1 | Confident | 163 Ų | 163 | 122.2 Ų | 122.2 | 71% | 0.709 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12.3 | 175.7 | -65.7 | 167.8 | -172.4 | 154.8 | 0 | 113.2 | D275 E277 K281 | D275-K279 WeakPolarHBondContact O-CD 3.18Å; D275-K279 VanDerWaalsContact O-CE 3.25Å; D275-K279 WeakPolarHBondContact O-CE 3.43Å; D275-K279 PolarHBondContact O-NZ 2.97Å; E277-K279 PolarHBondContact O-N 3.21Å; K279-K281 PolarHBondContact O-N 2.97Å |
| 280 | K | 78.3 | Confident | 76.2 | Confident | 133 Ų | 133 | 121.6 Ų | 121.6 | 58% | 0.578 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -80.5 | 109.6 | 178.2 | -61.2 | 172.4 | -170.3 | 167.1 | 0 | 109.6 | E277 F282 | E277-K280 WeakPolarHBondContact O-CB 3.37Å; E277-K280 PolarHBondContact O-N 3.35Å; E277-K280 IonicContact OE1-NZ 3.73Å; E277-K280 PolarHBondContact OE1-NZ 2.65Å; K280-F282 PolarHBondContact O-N 3.23Å |
| 281 | K | 77.7 | Confident | 76.3 | Confident | 192 Ų | 192 | 121.9 Ų | 121.9 | 84% | 0.835 | 64% | 0.639 | S | S | * | * | trans | -68.5 | 106 | 170.3 | -66.1 | -178.7 | -178 | 178.7 | 0 | 108.9 | K279 R283 | K279-K281 PolarHBondContact O-N 2.97Å; K281-R283 PolarHBondContact O-N 3.4Å | ||
| 282 | F | 77.9 | Confident | 76.4 | Confident | 188 Ų | 188 | 122.7 Ų | 122.7 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | -52.8 | 125.3 | -177.5 | -178.2 | -99.1 | 0 | 0 | 0 | 111.7 | K280 | K280-F282 PolarHBondContact O-N 3.23Š| ||
| 283 | R | 81.1 | Confident | 76.9 | Confident | 211 Ų | 211 | 121.2 Ų | 121.2 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | trans | -128.3 | 136.4 | 170 | -66.2 | -62.4 | -172.7 | 174.5 | 1.2 | 107 | K281 | K281-R283 PolarHBondContact O-N 3.4Š| ||
| 284 | A | 83.4 | Confident | 77.3 | Confident | 84 Ų | 84 | 120.9 Ų | 120.9 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 285 | N | 83.4 | Confident | 77.9 | Confident | 153 Ų | 153 | 120 Ų | 120 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 137.1 | 170.9 | -68.6 | -14.4 | 0 | 0 | 0 | 109 | ||
| 286 | P | 86.1 | Confident | 78.8 | Confident | 118 Ų | 118 | 122.8 Ų | 122.8 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 151.8 | 177.5 | 27.4 | -34.6 | 0 | 0 | 0 | 110.8 | ||
| 287 | V | 81.5 | Confident | 79.7 | Confident | 88 Ų | 88 | 126.3 Ų | 126.3 | 53% | 0.533 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 130.5 | -179.5 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | V291 F292 | V287-V291 HydrophobicContact CG1-CB 3.72Å; V287-V291 HydrophobicContact CG1-CG1 3.98Å; V287-V291 HydrophobicContact CG1-CG2 3.67Å; V287-F292 HydrophobicContact CB-CE2 4.06Å; V287-F292 HydrophobicContact CB-CZ 4.2Å; V287-F292 HydrophobicContact CG1-CE2 4.12Å; V287-F292 HydrophobicContact CG1-CZ 4.37Å |
| 288 | P | 86.9 | Confident | 80.7 | Confident | 83 Ų | 83 | 125.1 Ų | 125.1 | 54% | 0.539 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 140.8 | -179.4 | -28.4 | 35.9 | 0 | 0 | 0 | 113.3 | S290 V291 | P288-S290 PolarHBondContact O-N 3.33Å; P288-V291 WeakPolarHBondContact O-CB 3.39Å; P288-V291 PolarHBondContact O-N 2.79Å |
| 289 | A | 78.4 | Confident | 82 | Confident | 74 Ų | 74 | 123.6 Ų | 123.6 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -54.2 | -29.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | V291 F292 | A289-V291 PolarHBondContact O-N 2.97Å; A289-F292 PolarHBondContact O-N 3.37Å |
| 290 | S | 78.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 118 Ų | 118 | 52% | 0.517 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -61.3 | -20 | 176.7 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | P288 F292 | P288-S290 PolarHBondContact O-N 3.33Å; S290-F292 VanDerWaalsContact C-N 3.33Å |
| 291 | V | 80.6 | Confident | 84 | Confident | 101 Ų | 101 | 117.8 Ų | 117.8 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -76.1 | -23.9 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | V287 P288 A289 | V287-V291 HydrophobicContact CG1-CB 3.72Å; V287-V291 HydrophobicContact CG1-CG1 3.98Å; V287-V291 HydrophobicContact CG1-CG2 3.67Å; P288-V291 WeakPolarHBondContact O-CB 3.39Å; P288-V291 PolarHBondContact O-N 2.79Å; A289-V291 PolarHBondContact O-N 2.97Å |
| 292 | F | 78.9 | Confident | 84.7 | Confident | 151 Ų | 151 | 113.6 Ų | 113.6 | 66% | 0.662 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -91.9 | -6.3 | -178.9 | -59 | -79.6 | 0 | 0 | 0 | 113.7 | V287 A289 S290 | V287-F292 HydrophobicContact CB-CE2 4.06Å; V287-F292 HydrophobicContact CB-CZ 4.2Å; V287-F292 HydrophobicContact CG1-CE2 4.12Å; V287-F292 HydrophobicContact CG1-CZ 4.37Å; A289-F292 PolarHBondContact O-N 3.37Å; S290-F292 VanDerWaalsContact C-N 3.33Å |
| 293 | L | 81.8 | Confident | 85.4 | Confident | 108 Ų | 108 | 110.5 Ų | 110.5 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -101.9 | 121.3 | -178.4 | -63.4 | 179.7 | 0 | 0 | 0 | 111.5 | L295 | L293-L295 VanDerWaalsContact C-N 3.27Å; L293-L295 HydrophobicContact CB-CD2 4.19Å; L293-L295 HydrophobicContact CB-CG 4.25Å; L293-L295 PolarHBondContact O-N 3.48Å |
| 294 | P | 81.8 | Confident | 86 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 75% | 0.747 | 57% | 0.57 | S | S | * | * | trans | -71.4 | 67.6 | 175.6 | -22.9 | 36.4 | 0 | 0 | 0 | 114.9 | Y296 | P294-Y296 PolarHBondContact O-N 2.81Š| ||
| 295 | L | 85.4 | Confident | 86.6 | Confident | 79 Ų | 79 | 105.2 Ų | 105.2 | 41% | 0.414 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | 5.5 | -174.8 | -62.1 | 174.5 | 0 | 0 | 0 | 116.4 | L293 H297 L299 | L293-L295 VanDerWaalsContact C-N 3.27Å; L293-L295 HydrophobicContact CB-CD2 4.19Å; L293-L295 HydrophobicContact CB-CG 4.25Å; L293-L295 PolarHBondContact O-N 3.48Å; L295-H297 PolarHBondContact O-N 2.93Å; L295-L299 HydrophobicContact CB-CD1 4.39Å; L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.49Å; L295-L299 VanDerWaalsContact O-N 3.09Å |
| 296 | Y | 87.3 | Confident | 87.1 | Confident | 162 Ų | 162 | 104.5 Ų | 104.5 | 64% | 0.635 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | -174.3 | 178.7 | -101.7 | 0 | 0 | 0 | 112.8 | P294 L299 V300 | P294-Y296 PolarHBondContact O-N 2.81Å; Y296-L299 PolarHBondContact O-N 3.27Å; Y296-V300 HydrophobicContact CD1-CG2 4.28Å; Y296-V300 HydrophobicContact CD2-CG2 4.48Å; Y296-V300 HydrophobicContact CE1-CG2 3.82Å; Y296-V300 HydrophobicContact CE2-CG2 4.05Å; Y296-V300 WeakPolarHBondContact O-CG2 3.44Å; Y296-V300 PolarHBondContact O-N 2.94Å |
| 297 | H | 87.6 | Confident | 87.5 | Confident | 144 Ų | 144 | 106.9 Ų | 106.9 | 67% | 0.667 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | -177.9 | -68.6 | -73.3 | 0 | 0 | 0 | 112.2 | L295 V300 K301 | L295-H297 PolarHBondContact O-N 2.93Å; H297-V300 PolarHBondContact O-N 3.11Å; H297-K301 WeakPolarHBondContact O-CB 3.4Å; H297-K301 PolarHBondContact O-N 3.41Å |
| 298 | D | 87.4 | Confident | 88.1 | Confident | 90 Ų | 90 | 109.5 Ų | 109.5 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.1 | -58 | -40.4 | 0 | 0 | 0 | 111.6 | V300 K301 Q302 | D298-V300 VanDerWaalsContact C-N 3.31Å; D298-V300 PolarHBondContact O-N 3.48Å; D298-K301 PolarHBondContact O-N 3.16Å; D298-Q302 WeakPolarHBondContact O-CB 3.28Å; D298-Q302 WeakPolarHBondContact O-CG 3.47Å; D298-Q302 PolarHBondContact O-N 3.43Å |
| 299 | L | 90.3 | Very high | 88.5 | Confident | 84 Ų | 84 | 107.8 Ų | 107.8 | 44% | 0.44 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 174.4 | -78.2 | 166.8 | 0 | 0 | 0 | 112.8 | L295 Y296 K303 | L295-L299 HydrophobicContact CB-CD1 4.39Å; L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.49Å; L295-L299 VanDerWaalsContact O-N 3.09Å; Y296-L299 PolarHBondContact O-N 3.27Å; L299-K303 WeakPolarHBondContact O-CB 3.43Å; L299-K303 WeakPolarHBondContact O-CD 3.35Å; L299-K303 WeakPolarHBondContact O-CG 3.36Å; L299-K303 PolarHBondContact O-N 3.06Å |
| 300 | V | 93.8 | Very high | 89.3 | Confident | 47 Ų | 47 | 109.6 Ų | 109.6 | 29% | 0.285 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.1 | -47.4 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | Y296 H297 D298 Q302 K303 E304 | Y296-V300 HydrophobicContact CD1-CG2 4.28Å; Y296-V300 HydrophobicContact CD2-CG2 4.48Å; Y296-V300 HydrophobicContact CE1-CG2 3.82Å; Y296-V300 HydrophobicContact CE2-CG2 4.05Å; Y296-V300 WeakPolarHBondContact O-CG2 3.44Å; Y296-V300 PolarHBondContact O-N 2.94Å; H297-V300 PolarHBondContact O-N 3.11Å; D298-V300 VanDerWaalsContact C-N 3.31Å; D298-V300 PolarHBondContact O-N 3.48Å; V300-Q302 PolarHBondContact O-N 3.42Å; V300-K303 WeakPolarHBondContact O-CB 3.48Å; V300-K303 PolarHBondContact O-N 3.49Å; V300-K303 VanDerWaalsContact O-N 3.09Å; V300-E304 PolarHBondContact O-N 2.94Å |
| 301 | K | 93.6 | Very high | 90.1 | Very high | 128 Ų | 128 | 112.1 Ų | 112.1 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.2 | -49.5 | 178.3 | -173.5 | 178.8 | 175.9 | -174.6 | 0 | 112 | H297 D298 K303 E304 E305 | H297-K301 WeakPolarHBondContact O-CB 3.4Å; H297-K301 PolarHBondContact O-N 3.41Å; D298-K301 PolarHBondContact O-N 3.16Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 PolarHBondContact O-N 2.95Å; K301-E304 PolarHBondContact O-N 2.75Å; K301-E304 VanDerWaalsContact O-N 3.11Å; K301-E305 WeakPolarHBondContact CE-OE1 3.46Å; K301-E305 WeakPolarHBondContact CG-OE1 3.46Å; K301-E305 WeakPolarHBondContact O-CG 3.27Å; K301-E305 PolarHBondContact O-N 3.31Å |
| 302 | Q | 92.8 | Very high | 90.8 | Very high | 104 Ų | 104 | 112.9 Ų | 112.9 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -29.7 | 175.9 | -71 | -179.7 | 5.2 | 0 | 0 | 113.7 | D298 V300 R306 | D298-Q302 WeakPolarHBondContact O-CB 3.28Å; D298-Q302 WeakPolarHBondContact O-CG 3.47Å; D298-Q302 PolarHBondContact O-N 3.43Å; V300-Q302 PolarHBondContact O-N 3.42Å; Q302-R306 WeakPolarHBondContact O-CB 3.34Å; Q302-R306 WeakPolarHBondContact O-CG 3.23Å; Q302-R306 PolarHBondContact O-N 2.8Å; Q302-R306 PolarHBondContact O-NE 3.32Å; Q302-R306 VanDerWaalsContact O-NE 3.1Å |
| 303 | K | 93.1 | Very high | 91.6 | Very high | 122 Ų | 122 | 110.9 Ų | 110.9 | 53% | 0.53 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.4 | -38 | 173.4 | -77.9 | 169.7 | -175.6 | 176.5 | 0 | 111.2 | L299 V300 K301 R307 | L299-K303 WeakPolarHBondContact O-CB 3.43Å; L299-K303 WeakPolarHBondContact O-CD 3.35Å; L299-K303 WeakPolarHBondContact O-CG 3.36Å; L299-K303 PolarHBondContact O-N 3.06Å; V300-K303 WeakPolarHBondContact O-CB 3.48Å; V300-K303 PolarHBondContact O-N 3.49Å; V300-K303 VanDerWaalsContact O-N 3.09Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 PolarHBondContact O-N 2.95Å; K303-R307 WeakPolarHBondContact O-CB 3.41Å; K303-R307 PolarHBondContact O-N 2.81Å |
| 304 | E | 94.4 | Very high | 92.2 | Very high | 88 Ų | 88 | 110.4 Ų | 110.4 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 174.2 | -75.2 | -162.9 | -159.6 | 0 | 0 | 112.7 | V300 K301 R306 R307 R308 | V300-E304 PolarHBondContact O-N 2.94Å; K301-E304 PolarHBondContact O-N 2.75Å; K301-E304 VanDerWaalsContact O-N 3.11Å; E304-R306 VanDerWaalsContact C-N 3.34Å; E304-R306 PolarHBondContact O-N 3.16Å; E304-R307 CarbonylContact O-C 3.6Å; E304-R307 WeakPolarHBondContact O-CA 3.5Å; E304-R307 WeakPolarHBondContact O-CB 3.09Å; E304-R307 PolarHBondContact O-N 3.15Å; E304-R308 VanDerWaalsContact O-CG 3.3Å; E304-R308 WeakPolarHBondContact O-CG 3.27Å; E304-R308 PolarHBondContact O-N 2.88Å; E304-R308 IonicContact OE2-CZ 3.1Å; E304-R308 IonicContact OE2-NE 2.68Å; E304-R308 IonicContact OE2-NH2 3.29Å; E304-R308 PolarHBondContact OE2-NH2 3.38Å |
| 305 | E | 94.8 | Very high | 92.8 | Very high | 96 Ų | 96 | 111.6 Ų | 111.6 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177.4 | -72.1 | 165.4 | 177.8 | 0 | 0 | 111.4 | K301 R307 R308 S309 | K301-E305 WeakPolarHBondContact CE-OE1 3.46Å; K301-E305 WeakPolarHBondContact CG-OE1 3.46Å; K301-E305 WeakPolarHBondContact O-CG 3.27Å; K301-E305 PolarHBondContact O-N 3.31Å; E305-R307 PolarHBondContact O-N 2.94Å; E305-R308 PolarHBondContact O-N 3.26Å; E305-S309 PolarHBondContact O-N 3.36Å; E305-S309 PolarHBondContact O-OG 3.44Å |
| 306 | R | 93.7 | Very high | 93.2 | Very high | 139 Ų | 139 | 113.9 Ų | 113.9 | 53% | 0.525 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 169.5 | -76.3 | -177.2 | -70.8 | 152.8 | -15.6 | 112.8 | Q302 E304 R308 S309 L310 | Q302-R306 WeakPolarHBondContact O-CB 3.34Å; Q302-R306 WeakPolarHBondContact O-CG 3.23Å; Q302-R306 PolarHBondContact O-N 2.8Å; Q302-R306 PolarHBondContact O-NE 3.32Å; Q302-R306 VanDerWaalsContact O-NE 3.1Å; E304-R306 VanDerWaalsContact C-N 3.34Å; E304-R306 PolarHBondContact O-N 3.16Å; R306-R308 VanDerWaalsContact C-N 3.34Å; R306-R308 PolarHBondContact O-N 3.23Å; R306-S309 WeakPolarHBondContact CA-OG 3.27Å; R306-S309 PolarHBondContact O-OG 2.83Å; R306-L310 WeakPolarHBondContact O-CB 3.4Å; R306-L310 VanDerWaalsContact O-CG 3.25Å; R306-L310 WeakPolarHBondContact O-CG 3.43Å; R306-L310 PolarHBondContact O-N 3.24Å |
| 307 | R | 94.6 | Very high | 93.5 | Very high | 168 Ų | 168 | 109 Ų | 109 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -32.1 | 176.3 | -171.4 | -178.8 | -177.6 | -156.7 | 2.4 | 112.7 | K303 E304 E305 K311 | K303-R307 WeakPolarHBondContact O-CB 3.41Å; K303-R307 PolarHBondContact O-N 2.81Å; E304-R307 CarbonylContact O-C 3.6Å; E304-R307 WeakPolarHBondContact O-CA 3.5Å; E304-R307 WeakPolarHBondContact O-CB 3.09Å; E304-R307 PolarHBondContact O-N 3.15Å; E305-R307 PolarHBondContact O-N 2.94Å; R307-K311 WeakPolarHBondContact O-CD 3.32Å; R307-K311 VanDerWaalsContact O-CG 3.26Å; R307-K311 WeakPolarHBondContact O-CG 3.33Å; R307-K311 PolarHBondContact O-N 3.1Å |
| 308 | R | 95.5 | Very high | 93.5 | Very high | 143 Ų | 143 | 107.2 Ų | 107.2 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.9 | -54.3 | 177.1 | -68.8 | 170.3 | -161.4 | -164.6 | 6.4 | 110.5 | E304 E305 R306 L310 K311 E312 | E304-R308 VanDerWaalsContact O-CG 3.3Å; E304-R308 WeakPolarHBondContact O-CG 3.27Å; E304-R308 PolarHBondContact O-N 2.88Å; E304-R308 IonicContact OE2-CZ 3.1Å; E304-R308 IonicContact OE2-NE 2.68Å; E304-R308 IonicContact OE2-NH2 3.29Å; E304-R308 PolarHBondContact OE2-NH2 3.38Å; E305-R308 PolarHBondContact O-N 3.26Å; R306-R308 VanDerWaalsContact C-N 3.34Å; R306-R308 PolarHBondContact O-N 3.23Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 2.96Å; R308-K311 WeakPolarHBondContact O-CA 3.35Å; R308-K311 WeakPolarHBondContact O-CB 3.48Å; R308-K311 PolarHBondContact O-N 3.18Å; R308-E312 PolarHBondContact O-N 2.86Å |
| 309 | S | 94.3 | Very high | 93.5 | Very high | 46 Ų | 46 | 107.7 Ų | 107.7 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | E305 R306 E312 K313 | E305-S309 PolarHBondContact O-N 3.36Å; E305-S309 PolarHBondContact O-OG 3.44Å; R306-S309 WeakPolarHBondContact CA-OG 3.27Å; R306-S309 PolarHBondContact O-OG 2.83Å; S309-E312 PolarHBondContact O-N 3.01Å; S309-K313 WeakPolarHBondContact O-CB 3.38Å; S309-K313 WeakPolarHBondContact O-CG 3.44Å; S309-K313 PolarHBondContact O-N 3.18Å |
| 310 | L | 95.3 | Very high | 93.3 | Very high | 113 Ų | 113 | 108 Ų | 108 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.7 | -35.7 | 173.4 | -75.1 | 171.7 | 0 | 0 | 0 | 113 | R306 R308 N314 | R306-L310 WeakPolarHBondContact O-CB 3.4Å; R306-L310 VanDerWaalsContact O-CG 3.25Å; R306-L310 WeakPolarHBondContact O-CG 3.43Å; R306-L310 PolarHBondContact O-N 3.24Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 2.96Å; L310-N314 VanDerWaalsContact O-CB 3.25Å; L310-N314 WeakPolarHBondContact O-CB 3.32Å; L310-N314 PolarHBondContact O-N 3.41Å; L310-N314 VanDerWaalsContact O-N 3.09Å |
| 311 | K | 95.6 | Very high | 92.7 | Very high | 127 Ų | 127 | 109.8 Ų | 109.8 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -39.5 | 174.6 | -75.9 | 172.6 | 175.4 | -172.1 | 0 | 111.7 | R307 R308 N314 K315 | R307-K311 WeakPolarHBondContact O-CD 3.32Å; R307-K311 VanDerWaalsContact O-CG 3.26Å; R307-K311 WeakPolarHBondContact O-CG 3.33Å; R307-K311 PolarHBondContact O-N 3.1Å; R308-K311 WeakPolarHBondContact O-CA 3.35Å; R308-K311 WeakPolarHBondContact O-CB 3.48Å; R308-K311 PolarHBondContact O-N 3.18Å; K311-N314 PolarHBondContact O-N 3.27Å; K311-K315 WeakPolarHBondContact O-CB 3.28Å; K311-K315 PolarHBondContact O-N 2.87Å |
| 312 | E | 95.7 | Very high | 92.2 | Very high | 116 Ų | 116 | 109.5 Ų | 109.5 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -52 | 177.9 | -73.2 | 163.9 | 175.9 | 0 | 0 | 110.9 | R308 S309 N314 K315 E316 | R308-E312 PolarHBondContact O-N 2.86Å; S309-E312 PolarHBondContact O-N 3.01Å; E312-N314 VanDerWaalsContact C-N 3.26Å; E312-N314 PolarHBondContact O-N 3.1Å; E312-K315 WeakPolarHBondContact O-CB 3.37Å; E312-K315 PolarHBondContact O-N 3.42Å; E312-K315 VanDerWaalsContact O-N 3.07Å; E312-E316 WeakPolarHBondContact O-CG 3.39Å; E312-E316 PolarHBondContact O-N 2.62Å |
| 313 | K | 95.1 | Very high | 91.5 | Very high | 110 Ų | 110 | 113.8 Ų | 113.8 | 48% | 0.478 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -54.7 | -40.2 | 173.6 | -73.2 | 178.8 | 177.2 | -176.5 | 0 | 112.8 | S309 A317 | S309-K313 WeakPolarHBondContact O-CB 3.38Å; S309-K313 WeakPolarHBondContact O-CG 3.44Å; S309-K313 PolarHBondContact O-N 3.18Å; K313-A317 WeakPolarHBondContact O-CB 3.43Å; K313-A317 PolarHBondContact O-N 2.97Å |
| 314 | N | 93.8 | Very high | 90.9 | Very high | 97 Ų | 97 | 111.4 Ų | 111.4 | 52% | 0.519 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.3 | -44.2 | 176.8 | -168.6 | -32.5 | 0 | 0 | 0 | 111.4 | L310 K311 E312 E316 A317 L318 | L310-N314 VanDerWaalsContact O-CB 3.25Å; L310-N314 WeakPolarHBondContact O-CB 3.32Å; L310-N314 PolarHBondContact O-N 3.41Å; L310-N314 VanDerWaalsContact O-N 3.09Å; K311-N314 PolarHBondContact O-N 3.27Å; E312-N314 VanDerWaalsContact C-N 3.26Å; E312-N314 PolarHBondContact O-N 3.1Å; N314-E316 VanDerWaalsContact C-N 3.34Å; N314-E316 PolarHBondContact O-N 3.06Å; N314-A317 PolarHBondContact O-N 3.33Å; N314-L318 WeakPolarHBondContact O-CB 3.48Å; N314-L318 WeakPolarHBondContact O-CG 3.33Å; N314-L318 PolarHBondContact O-N 3.37Å; N314-L318 WeakPolarHBondContact OD1-CD1 3.14Å |
| 315 | K | 95.4 | Very high | 89.9 | Confident | 141 Ų | 141 | 113 Ų | 113 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59 | -43.3 | 173.9 | -175.9 | -174.2 | 176.8 | -170.2 | 0 | 111.9 | K311 E312 L318 L319 | K311-K315 WeakPolarHBondContact O-CB 3.28Å; K311-K315 PolarHBondContact O-N 2.87Å; E312-K315 WeakPolarHBondContact O-CB 3.37Å; E312-K315 PolarHBondContact O-N 3.42Å; E312-K315 VanDerWaalsContact O-N 3.07Å; K315-L318 PolarHBondContact O-N 3.08Å; K315-L319 HydrophobicContact CG-CD1 4.24Å; K315-L319 WeakPolarHBondContact O-CB 3.34Å; K315-L319 VanDerWaalsContact O-CG 3.29Å; K315-L319 WeakPolarHBondContact O-CG 3.29Å; K315-L319 PolarHBondContact O-N 2.94Å |
| 316 | E | 94.3 | Very high | 89.1 | Confident | 127 Ų | 127 | 117.5 Ų | 117.5 | 59% | 0.593 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -44.5 | 175.9 | -72.4 | 172.7 | 179.5 | 0 | 0 | 111.9 | E312 N314 L318 L319 A320 | E312-E316 WeakPolarHBondContact O-CG 3.39Å; E312-E316 PolarHBondContact O-N 2.62Å; N314-E316 VanDerWaalsContact C-N 3.34Å; N314-E316 PolarHBondContact O-N 3.06Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 2.92Å; E316-L319 PolarHBondContact O-N 3.28Å; E316-A320 WeakPolarHBondContact O-CB 3.39Å; E316-A320 PolarHBondContact O-N 3.21Å |
| 317 | A | 91.6 | Very high | 88.2 | Confident | 60 Ų | 60 | 116.8 Ų | 116.8 | 50% | 0.496 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K313 N314 A320 S321 | K313-A317 WeakPolarHBondContact O-CB 3.43Å; K313-A317 PolarHBondContact O-N 2.97Å; N314-A317 PolarHBondContact O-N 3.33Å; A317-A320 PolarHBondContact O-N 2.91Å; A317-S321 WeakPolarHBondContact O-CB 3.39Å; A317-S321 PolarHBondContact O-N 3.35Å; A317-S321 PolarHBondContact O-OG 3.41Å |
| 318 | L | 88.7 | Confident | 87.6 | Confident | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.6 | -47.4 | 174.1 | -72.4 | 172.1 | 0 | 0 | 0 | 111.3 | N314 K315 E316 A320 S321 Q322 | N314-L318 WeakPolarHBondContact O-CB 3.48Å; N314-L318 WeakPolarHBondContact O-CG 3.33Å; N314-L318 PolarHBondContact O-N 3.37Å; N314-L318 WeakPolarHBondContact OD1-CD1 3.14Å; K315-L318 PolarHBondContact O-N 3.08Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 2.92Å; L318-A320 PolarHBondContact O-N 2.98Å; L318-S321 PolarHBondContact O-N 2.92Å; L318-S321 PolarHBondContact O-OG 3.01Å; L318-Q322 PolarHBondContact O-N 3.39Å |
| 319 | L | 87.4 | Confident | 86.9 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 176.3 | -71.2 | 170.2 | 0 | 0 | 0 | 112.5 | K315 E316 S321 Q322 | K315-L319 HydrophobicContact CG-CD1 4.24Å; K315-L319 WeakPolarHBondContact O-CB 3.34Å; K315-L319 VanDerWaalsContact O-CG 3.29Å; K315-L319 WeakPolarHBondContact O-CG 3.29Å; K315-L319 PolarHBondContact O-N 2.94Å; E316-L319 PolarHBondContact O-N 3.28Å; L319-S321 VanDerWaalsContact C-N 3.34Å; L319-S321 PolarHBondContact O-N 2.93Å; L319-Q322 WeakPolarHBondContact O-CB 3.45Å; L319-Q322 PolarHBondContact O-N 3.44Å |
| 320 | A | 86.2 | Confident | 86.2 | Confident | 91 Ų | 91 | 111.4 Ų | 111.4 | 75% | 0.752 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.8 | -32.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E316 A317 L318 | E316-A320 WeakPolarHBondContact O-CB 3.39Å; E316-A320 PolarHBondContact O-N 3.21Å; A317-A320 PolarHBondContact O-N 2.91Å; L318-A320 PolarHBondContact O-N 2.98Å |
| 321 | S | 81.6 | Confident | 85.7 | Confident | 83 Ų | 83 | 109 Ų | 109 | 58% | 0.58 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -76.5 | -23.1 | 174.6 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | A317 L318 L319 K323 | A317-S321 WeakPolarHBondContact O-CB 3.39Å; A317-S321 PolarHBondContact O-N 3.35Å; A317-S321 PolarHBondContact O-OG 3.41Å; L318-S321 PolarHBondContact O-N 2.92Å; L318-S321 PolarHBondContact O-OG 3.01Å; L319-S321 VanDerWaalsContact C-N 3.34Å; L319-S321 PolarHBondContact O-N 2.93Å; S321-K323 PolarHBondContact O-N 3.4Å |
| 322 | Q | 83.3 | Confident | 85.3 | Confident | 123 Ų | 123 | 108.5 Ų | 108.5 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | trans | -70.2 | 94.8 | 178.4 | -173.5 | -179.8 | 8.7 | 0 | 0 | 110 | L318 L319 P324 | L318-Q322 PolarHBondContact O-N 3.39Å; L319-Q322 WeakPolarHBondContact O-CB 3.45Å; L319-Q322 PolarHBondContact O-N 3.44Å; Q322-P324 WeakPolarHBondContact O-CD 3.24Å; Q322-P324 VanDerWaalsContact O-N 3.17Å | ||
| 323 | K | 77.9 | Confident | 84.7 | Confident | 193 Ų | 193 | 109.6 Ų | 109.6 | 84% | 0.839 | 55% | 0.549 | S | S | * | . | trans | -66.4 | 111.6 | 168.3 | -66.5 | -178.6 | -179.2 | 179.2 | 0 | 108.4 | S321 F325 | S321-K323 PolarHBondContact O-N 3.4Å; K323-F325 PolarHBondContact O-N 3.21Å | ||
| 324 | P | 79.4 | Confident | 84.3 | Confident | 72 Ų | 72 | 110.8 Ų | 110.8 | 47% | 0.468 | 55% | 0.554 | S | S | . | * | trans | -60.3 | 135.6 | 176.1 | 25 | -32.9 | 0 | 0 | 0 | 108.7 | Q322 I328 | Q322-P324 WeakPolarHBondContact O-CD 3.24Å; Q322-P324 VanDerWaalsContact O-N 3.17Å; P324-I328 HydrophobicContact CB-CB 3.96Å; P324-I328 HydrophobicContact CB-CD1 4.48Å; P324-I328 HydrophobicContact CB-CG2 3.57Å | ||
| 325 | F | 74.2 | Confident | 84 | Confident | 123 Ų | 123 | 113.2 Ų | 113.2 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | trans | -59.3 | 150.5 | 176 | 51.5 | -113 | 0 | 0 | 0 | 109.6 | K323 F327 I328 | K323-F325 PolarHBondContact O-N 3.21Å; F325-F327 HydrophobicContact CD2-CB 3.56Å; F325-F327 HydrophobicContact CD2-CD1 4.34Å; F325-F327 HydrophobicContact CD2-CG 4.45Å; F325-F327 HydrophobicContact CE2-CB 3.69Å; F325-F327 AromaticContact CE2-CD1 3.6Å; F325-F327 HydrophobicContact CE2-CD1 3.6Å; F325-F327 HydrophobicContact CE2-CG 4.11Å; F325-F327 HydrophobicContact CZ-CD1 4.4Å; F325-F327 PolarHBondContact O-N 3.24Å; F325-I328 HydrophobicContact CD1-CD1 3.96Å; F325-I328 HydrophobicContact CD2-CB 4.05Å; F325-I328 HydrophobicContact CD2-CD1 4.17Å; F325-I328 HydrophobicContact CD2-CG1 4.03Å; F325-I328 HydrophobicContact CE1-CD1 3.45Å; F325-I328 VanDerWaalsContact CE1-CD1 3.45Å; F325-I328 HydrophobicContact CE1-CG1 4.1Å; F325-I328 HydrophobicContact CE2-CB 3.82Å; F325-I328 HydrophobicContact CE2-CD1 3.69Å; F325-I328 HydrophobicContact CE2-CG1 3.37Å; F325-I328 HydrophobicContact CG-CD1 4.31Å; F325-I328 HydrophobicContact CZ-CB 4.34Å; F325-I328 HydrophobicContact CZ-CD1 3.31Å; F325-I328 HydrophobicContact CZ-CG1 3.43Å; F325-I328 VanDerWaalsContact CZ-CG1 3.43Å; F325-I328 PolarHBondContact O-N 2.92Å | ||
| 326 | K | 77.1 | Confident | 83.7 | Confident | 190 Ų | 190 | 108.5 Ų | 108.5 | 83% | 0.826 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.4 | -21.3 | -174.8 | -65.3 | -176.2 | 178.9 | -178.6 | 0 | 113.8 | R330 | K326-R330 WeakPolarHBondContact O-CB 3.45Å; K326-R330 PolarHBondContact O-N 3.5Å |
| 327 | F | 74.9 | Confident | 83.4 | Confident | 124 Ų | 124 | 104.7 Ų | 104.7 | 54% | 0.544 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -75 | -33.6 | 172.8 | -178 | -112.6 | 0 | 0 | 0 | 114.6 | F325 R330 E331 | F325-F327 HydrophobicContact CD2-CB 3.56Å; F325-F327 HydrophobicContact CD2-CD1 4.34Å; F325-F327 HydrophobicContact CD2-CG 4.45Å; F325-F327 HydrophobicContact CE2-CB 3.69Å; F325-F327 AromaticContact CE2-CD1 3.6Å; F325-F327 HydrophobicContact CE2-CD1 3.6Å; F325-F327 HydrophobicContact CE2-CG 4.11Å; F325-F327 HydrophobicContact CZ-CD1 4.4Å; F325-F327 PolarHBondContact O-N 3.24Å; F327-R330 PolarHBondContact O-N 2.79Å; F327-E331 VanDerWaalsContact O-CB 3.27Å; F327-E331 WeakPolarHBondContact O-CB 3.33Å; F327-E331 PolarHBondContact O-N 3.01Å |
| 328 | I | 82.1 | Confident | 83.1 | Confident | 46 Ų | 46 | 106.7 Ų | 106.7 | 24% | 0.236 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -66.8 | -52 | 173.5 | -91.3 | 155.1 | 0 | 0 | 0 | 109 | P324 F325 R330 E331 E332 | P324-I328 HydrophobicContact CB-CB 3.96Å; P324-I328 HydrophobicContact CB-CD1 4.48Å; P324-I328 HydrophobicContact CB-CG2 3.57Å; F325-I328 HydrophobicContact CD1-CD1 3.96Å; F325-I328 HydrophobicContact CD2-CB 4.05Å; F325-I328 HydrophobicContact CD2-CD1 4.17Å; F325-I328 HydrophobicContact CD2-CG1 4.03Å; F325-I328 HydrophobicContact CE1-CD1 3.45Å; F325-I328 VanDerWaalsContact CE1-CD1 3.45Å; F325-I328 HydrophobicContact CE1-CG1 4.1Å; F325-I328 HydrophobicContact CE2-CB 3.82Å; F325-I328 HydrophobicContact CE2-CD1 3.69Å; F325-I328 HydrophobicContact CE2-CG1 3.37Å; F325-I328 HydrophobicContact CG-CD1 4.31Å; F325-I328 HydrophobicContact CZ-CB 4.34Å; F325-I328 HydrophobicContact CZ-CD1 3.31Å; F325-I328 HydrophobicContact CZ-CG1 3.43Å; F325-I328 VanDerWaalsContact CZ-CG1 3.43Å; F325-I328 PolarHBondContact O-N 2.92Å; I328-R330 PolarHBondContact O-N 3.37Å; I328-E331 CarbonylContact O-C 3.59Å; I328-E331 PolarHBondContact O-N 3.23Å; I328-E332 HydrophobicContact CG2-CG 4.21Å; I328-E332 WeakPolarHBondContact O-CB 3.47Å; I328-E332 WeakPolarHBondContact O-CG 3.29Å; I328-E332 PolarHBondContact O-N 2.94Å |
| 329 | A | 80.5 | Confident | 83.1 | Confident | 35 Ų | 35 | 106.4 Ų | 106.4 | 29% | 0.289 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59 | -37.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q333 | A329-Q333 VanDerWaalsContact O-CB 3.27Å; A329-Q333 WeakPolarHBondContact O-CB 3.31Å; A329-Q333 WeakPolarHBondContact O-CG 3.4Å; A329-Q333 PolarHBondContact O-N 2.9Å |
| 330 | R | 80.9 | Confident | 82.9 | Confident | 163 Ų | 163 | 108.5 Ų | 108.5 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 172.8 | -178.5 | -171.9 | -65.9 | 168.7 | -3.8 | 112.6 | K326 F327 I328 K334 | K326-R330 WeakPolarHBondContact O-CB 3.45Å; K326-R330 PolarHBondContact O-N 3.5Å; F327-R330 PolarHBondContact O-N 2.79Å; I328-R330 PolarHBondContact O-N 3.37Å; R330-K334 WeakPolarHBondContact O-CB 3.49Å; R330-K334 PolarHBondContact O-N 3.24Å |
| 331 | E | 84.6 | Confident | 82.7 | Confident | 63 Ų | 63 | 109.8 Ų | 109.8 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.7 | -40.2 | 180 | -161.2 | -170.8 | 160.5 | 0 | 0 | 111.4 | F327 I328 K334 R335 | F327-E331 VanDerWaalsContact O-CB 3.27Å; F327-E331 WeakPolarHBondContact O-CB 3.33Å; F327-E331 PolarHBondContact O-N 3.01Å; I328-E331 CarbonylContact O-C 3.59Å; I328-E331 PolarHBondContact O-N 3.23Å; E331-K334 CarbonylContact O-C 3.57Å; E331-K334 WeakPolarHBondContact O-CB 3.08Å; E331-K334 PolarHBondContact O-N 3.46Å; E331-R335 WeakPolarHBondContact O-CB 3.4Å; E331-R335 VanDerWaalsContact O-CG 3.27Å; E331-R335 WeakPolarHBondContact O-CG 3.42Å; E331-R335 PolarHBondContact O-N 3.03Å; E331-R335 IonicContact OE1-CZ 2.62Å; E331-R335 VanDerWaalsContact OE1-CZ 3.29Å; E331-R335 IonicContact OE1-NE 2.68Å; E331-R335 PolarHBondContact OE1-NE 2.98Å; E331-R335 VanDerWaalsContact OE1-NE 3.11Å; E331-R335 IonicContact OE1-NH2 2.72Å; E331-R335 PolarHBondContact OE1-NH2 3.03Å; E331-R335 IonicContact OE2-NH2 3.14Å |
| 332 | E | 86.5 | Confident | 82.6 | Confident | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 170.1 | -72.9 | 175.6 | 169.6 | 0 | 0 | 111.2 | I328 K334 R335 A336 | I328-E332 HydrophobicContact CG2-CG 4.21Å; I328-E332 WeakPolarHBondContact O-CB 3.47Å; I328-E332 WeakPolarHBondContact O-CG 3.29Å; I328-E332 PolarHBondContact O-N 2.94Å; E332-K334 VanDerWaalsContact C-N 3.3Å; E332-K334 PolarHBondContact O-N 2.66Å; E332-R335 PolarHBondContact O-N 3.18Å; E332-A336 WeakPolarHBondContact O-CB 3.32Å; E332-A336 PolarHBondContact O-N 3.16Å |
| 333 | Q | 83.9 | Confident | 82.4 | Confident | 138 Ų | 138 | 111.6 Ų | 111.6 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -39.4 | 171.8 | -77.2 | 170.2 | 4.5 | 0 | 0 | 112 | A329 A337 | A329-Q333 VanDerWaalsContact O-CB 3.27Å; A329-Q333 WeakPolarHBondContact O-CB 3.31Å; A329-Q333 WeakPolarHBondContact O-CG 3.4Å; A329-Q333 PolarHBondContact O-N 2.9Å; Q333-A337 WeakPolarHBondContact O-CB 3.43Å; Q333-A337 PolarHBondContact O-N 3.46Å |
| 334 | K | 87.1 | Confident | 82.2 | Confident | 136 Ų | 136 | 106.1 Ų | 106.1 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.5 | -42.5 | 175.9 | -173.8 | -177.8 | 178.1 | -174.5 | 0 | 111.9 | R330 E331 E332 A337 Q338 | R330-K334 WeakPolarHBondContact O-CB 3.49Å; R330-K334 PolarHBondContact O-N 3.24Å; E331-K334 CarbonylContact O-C 3.57Å; E331-K334 WeakPolarHBondContact O-CB 3.08Å; E331-K334 PolarHBondContact O-N 3.46Å; E332-K334 VanDerWaalsContact C-N 3.3Å; E332-K334 PolarHBondContact O-N 2.66Å; K334-A337 PolarHBondContact O-N 3.14Å; K334-Q338 WeakPolarHBondContact O-CB 3.33Å; K334-Q338 WeakPolarHBondContact O-CG 3.47Å; K334-Q338 PolarHBondContact O-N 2.95Å |
| 335 | R | 87.2 | Confident | 81.6 | Confident | 148 Ų | 148 | 108.2 Ų | 108.2 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 175.5 | -71.7 | 173.9 | -171.7 | -168.9 | 5.2 | 110.9 | E331 E332 Q338 E339 | E331-R335 WeakPolarHBondContact O-CB 3.4Å; E331-R335 VanDerWaalsContact O-CG 3.27Å; E331-R335 WeakPolarHBondContact O-CG 3.42Å; E331-R335 PolarHBondContact O-N 3.03Å; E331-R335 IonicContact OE1-CZ 2.62Å; E331-R335 VanDerWaalsContact OE1-CZ 3.29Å; E331-R335 IonicContact OE1-NE 2.68Å; E331-R335 PolarHBondContact OE1-NE 2.98Å; E331-R335 VanDerWaalsContact OE1-NE 3.11Å; E331-R335 IonicContact OE1-NH2 2.72Å; E331-R335 PolarHBondContact OE1-NH2 3.03Å; E331-R335 IonicContact OE2-NH2 3.14Å; E332-R335 PolarHBondContact O-N 3.18Å; R335-Q338 CarbonylContact O-C 3.58Å; R335-Q338 WeakPolarHBondContact O-CB 3.37Å; R335-Q338 PolarHBondContact O-N 3.47Å; R335-E339 PolarHBondContact O-N 3.12Å |
| 336 | A | 89.1 | Confident | 81 | Confident | 41 Ų | 41 | 109.6 Ų | 109.6 | 34% | 0.339 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E332 E339 K340 | E332-A336 WeakPolarHBondContact O-CB 3.32Å; E332-A336 PolarHBondContact O-N 3.16Å; A336-E339 PolarHBondContact O-N 3.21Å; A336-K340 VanDerWaalsContact O-CB 3.32Å; A336-K340 WeakPolarHBondContact O-CB 3.37Å; A336-K340 VanDerWaalsContact O-CG 3.23Å; A336-K340 WeakPolarHBondContact O-CG 3.41Å; A336-K340 PolarHBondContact O-N 3.35Å |
| 337 | A | 86.9 | Confident | 80.3 | Confident | 47 Ų | 47 | 108.2 Ų | 108.2 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q333 K334 Q341 | Q333-A337 WeakPolarHBondContact O-CB 3.43Å; Q333-A337 PolarHBondContact O-N 3.46Å; K334-A337 PolarHBondContact O-N 3.14Å; A337-Q341 WeakPolarHBondContact O-CB 3.15Å; A337-Q341 VanDerWaalsContact O-CG 3.32Å; A337-Q341 WeakPolarHBondContact O-CG 3.15Å; A337-Q341 PolarHBondContact O-N 3.35Å |
| 338 | Q | 86.3 | Confident | 79.5 | Confident | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 172.2 | -77.2 | -179.8 | -22.5 | 0 | 0 | 112.2 | K334 R335 Q341 L342 | K334-Q338 WeakPolarHBondContact O-CB 3.33Å; K334-Q338 WeakPolarHBondContact O-CG 3.47Å; K334-Q338 PolarHBondContact O-N 2.95Å; R335-Q338 CarbonylContact O-C 3.58Å; R335-Q338 WeakPolarHBondContact O-CB 3.37Å; R335-Q338 PolarHBondContact O-N 3.47Å; Q338-Q341 PolarHBondContact O-N 3.02Å; Q338-L342 WeakPolarHBondContact O-CB 3.44Å; Q338-L342 VanDerWaalsContact O-CG 3.25Å; Q338-L342 WeakPolarHBondContact O-CG 3.38Å; Q338-L342 PolarHBondContact O-N 2.78Å |
| 339 | E | 87.3 | Confident | 78.1 | Confident | 101 Ų | 101 | 109.3 Ų | 109.3 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 176.7 | -163.6 | -161.3 | 150.9 | 0 | 0 | 110.8 | R335 A336 L342 R343 | R335-E339 PolarHBondContact O-N 3.12Å; A336-E339 PolarHBondContact O-N 3.21Å; E339-L342 CarbonylContact O-C 3.6Å; E339-L342 PolarHBondContact O-N 2.93Å; E339-R343 HydrophobicContact CG-CG 4.38Å; E339-R343 WeakPolarHBondContact O-CB 3.28Å; E339-R343 WeakPolarHBondContact O-CG 3.47Å; E339-R343 PolarHBondContact O-N 2.8Å; E339-R343 IonicContact OE1-CZ 3.68Å; E339-R343 IonicContact OE1-NE 3.16Å; E339-R343 PolarHBondContact OE1-NE 2.93Å; E339-R343 VanDerWaalsContact OE1-NE 3.16Å; E339-R343 IonicContact OE1-NH2 2.72Å; E339-R343 PolarHBondContact OE1-NH2 3.18Å |
| 340 | K | 84.3 | Confident | 77.2 | Confident | 143 Ų | 143 | 116.8 Ų | 116.8 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.5 | -48.7 | 172.9 | -75.6 | 174.1 | -179.4 | -177.2 | 0 | 111.1 | A336 L342 R343 D344 | A336-K340 VanDerWaalsContact O-CB 3.32Å; A336-K340 WeakPolarHBondContact O-CB 3.37Å; A336-K340 VanDerWaalsContact O-CG 3.23Å; A336-K340 WeakPolarHBondContact O-CG 3.41Å; A336-K340 PolarHBondContact O-N 3.35Å; K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 2.89Å; K340-R343 WeakPolarHBondContact O-CB 3.3Å; K340-R343 PolarHBondContact O-N 3.11Å; K340-D344 WeakPolarHBondContact O-CB 3.31Å; K340-D344 PolarHBondContact O-N 3.41Å |
| 341 | Q | 81.4 | Confident | 76.3 | Confident | 118 Ų | 118 | 118.6 Ų | 118.6 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.1 | -42.6 | 173.9 | -77.8 | -177 | -7.5 | 0 | 0 | 112.1 | A337 Q338 D344 F345 | A337-Q341 WeakPolarHBondContact O-CB 3.15Å; A337-Q341 VanDerWaalsContact O-CG 3.32Å; A337-Q341 WeakPolarHBondContact O-CG 3.15Å; A337-Q341 PolarHBondContact O-N 3.35Å; Q338-Q341 PolarHBondContact O-N 3.02Å; Q341-D344 PolarHBondContact O-N 3.42Å; Q341-F345 HydrophobicContact CB-CD2 4.47Å; Q341-F345 VanDerWaalsContact O-CB 3.29Å; Q341-F345 WeakPolarHBondContact O-CB 3.45Å; Q341-F345 WeakPolarHBondContact O-CD2 3.5Å; Q341-F345 PolarHBondContact O-N 3.26Å |
| 342 | L | 79.4 | Confident | 75.2 | Confident | 96 Ų | 96 | 120.8 Ų | 120.8 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.5 | -48.1 | 175.8 | -75.8 | 169.7 | 0 | 0 | 0 | 111.5 | Q338 E339 K340 D344 F345 F346 | Q338-L342 WeakPolarHBondContact O-CB 3.44Å; Q338-L342 VanDerWaalsContact O-CG 3.25Å; Q338-L342 WeakPolarHBondContact O-CG 3.38Å; Q338-L342 PolarHBondContact O-N 2.78Å; E339-L342 CarbonylContact O-C 3.6Å; E339-L342 PolarHBondContact O-N 2.93Å; K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 2.89Å; L342-D344 VanDerWaalsContact C-N 3.28Å; L342-D344 PolarHBondContact O-N 2.84Å; L342-F345 CarbonylContact O-C 3.56Å; L342-F345 WeakPolarHBondContact O-CB 3.43Å; L342-F345 PolarHBondContact O-N 3.34Å; L342-F346 HydrophobicContact CB-CE2 4.47Å; L342-F346 WeakPolarHBondContact O-CD2 3.33Å; L342-F346 PolarHBondContact O-N 3.34Å |
| 343 | R | 78.6 | Confident | 74.1 | Confident | 149 Ų | 149 | 123.1 Ų | 123.1 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -55.8 | -44.5 | 174.9 | -67.6 | -84.8 | -165.2 | -173.1 | 4.2 | 110.8 | E339 K340 F346 K347 | E339-R343 HydrophobicContact CG-CG 4.38Å; E339-R343 WeakPolarHBondContact O-CB 3.28Å; E339-R343 WeakPolarHBondContact O-CG 3.47Å; E339-R343 PolarHBondContact O-N 2.8Å; E339-R343 IonicContact OE1-CZ 3.68Å; E339-R343 IonicContact OE1-NE 3.16Å; E339-R343 PolarHBondContact OE1-NE 2.93Å; E339-R343 VanDerWaalsContact OE1-NE 3.16Å; E339-R343 IonicContact OE1-NH2 2.72Å; E339-R343 PolarHBondContact OE1-NH2 3.18Å; K340-R343 WeakPolarHBondContact O-CB 3.3Å; K340-R343 PolarHBondContact O-N 3.11Å; R343-F346 CarbonylContact O-C 3.49Å; R343-F346 PolarHBondContact O-N 3.37Å; R343-F346 VanDerWaalsContact O-N 3.15Å; R343-K347 WeakPolarHBondContact O-CG 3.48Å; R343-K347 PolarHBondContact O-N 3.43Å |
| 344 | D | 75.3 | Confident | 73 | Confident | 77 Ų | 77 | 126.6 Ų | 126.6 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -75.7 | -30.4 | -179.2 | -62.1 | -25.4 | 0 | 0 | 0 | 111.7 | K340 Q341 L342 F346 K347 S348 | K340-D344 WeakPolarHBondContact O-CB 3.31Å; K340-D344 PolarHBondContact O-N 3.41Å; Q341-D344 PolarHBondContact O-N 3.42Å; L342-D344 VanDerWaalsContact C-N 3.28Å; L342-D344 PolarHBondContact O-N 2.84Å; D344-F346 VanDerWaalsContact C-N 3.32Å; D344-K347 PolarHBondContact O-N 3.03Å; D344-K347 IonicContact OD1-NZ 2.83Å; D344-K347 PolarHBondContact OD1-NZ 3.19Å; D344-S348 WeakPolarHBondContact O-CB 3.42Å; D344-S348 PolarHBondContact O-N 2.88Å; D344-S348 PolarHBondContact O-OG 3.17Å |
| 345 | F | 65.8 | Low | 72.4 | Confident | 116 Ų | 116 | 129.3 Ų | 129.3 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.2 | -27.3 | 164.8 | -87.5 | -60.9 | 0 | 0 | 0 | 113 | Q341 L342 K349 | Q341-F345 HydrophobicContact CB-CD2 4.47Å; Q341-F345 VanDerWaalsContact O-CB 3.29Å; Q341-F345 WeakPolarHBondContact O-CB 3.45Å; Q341-F345 WeakPolarHBondContact O-CD2 3.5Å; Q341-F345 PolarHBondContact O-N 3.26Å; L342-F345 CarbonylContact O-C 3.56Å; L342-F345 WeakPolarHBondContact O-CB 3.43Å; L342-F345 PolarHBondContact O-N 3.34Å; F345-K349 WeakPolarHBondContact O-CB 3.32Å; F345-K349 WeakPolarHBondContact O-CD 3.25Å; F345-K349 WeakPolarHBondContact O-CE 3.39Å; F345-K349 WeakPolarHBondContact O-CG 3.32Å; F345-K349 PolarHBondContact O-N 2.89Å |
| 346 | F | 61.7 | Low | 71.7 | Confident | 153 Ų | 153 | 131.2 Ų | 131.2 | 67% | 0.671 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.7 | -32.5 | 172.2 | -77 | -65.5 | 0 | 0 | 0 | 112 | L342 R343 D344 | L342-F346 HydrophobicContact CB-CE2 4.47Å; L342-F346 WeakPolarHBondContact O-CD2 3.33Å; L342-F346 PolarHBondContact O-N 3.34Å; R343-F346 CarbonylContact O-C 3.49Å; R343-F346 PolarHBondContact O-N 3.37Å; R343-F346 VanDerWaalsContact O-N 3.15Å; D344-F346 VanDerWaalsContact C-N 3.32Å |
| 347 | K | 62.9 | Low | 71.1 | Confident | 160 Ų | 160 | 132.7 Ų | 132.7 | 70% | 0.696 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.8 | -37.3 | 172.3 | -66.5 | 169 | -165.8 | 160.9 | 0 | 113.4 | R343 D344 | R343-K347 WeakPolarHBondContact O-CG 3.48Å; R343-K347 PolarHBondContact O-N 3.43Å; D344-K347 PolarHBondContact O-N 3.03Å; D344-K347 IonicContact OD1-NZ 2.83Å; D344-K347 PolarHBondContact OD1-NZ 3.19Å |
| 348 | S | 58.9 | Low | 70.7 | Confident | 81 Ų | 81 | 142 Ų | 142 | 57% | 0.566 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -90.6 | -4.7 | -173.3 | 60.2 | 0 | 0 | 0 | 0 | 115 | D344 K350 | D344-S348 WeakPolarHBondContact O-CB 3.42Å; D344-S348 PolarHBondContact O-N 2.88Å; D344-S348 PolarHBondContact O-OG 3.17Å; S348-K350 VanDerWaalsContact C-N 3.28Å; S348-K350 PolarHBondContact O-N 2.95Å |
| 349 | K | 51.9 | Low | 70.3 | Confident | 113 Ų | 113 | 142.8 Ų | 142.8 | 49% | 0.491 | 67% | 0.669 | S | S | . | * | trans | -73.4 | 79.5 | 175 | -86.3 | 168.3 | -165.6 | 163.2 | 0 | 112.2 | F345 K351 | F345-K349 WeakPolarHBondContact O-CB 3.32Å; F345-K349 WeakPolarHBondContact O-CD 3.25Å; F345-K349 WeakPolarHBondContact O-CE 3.39Å; F345-K349 WeakPolarHBondContact O-CG 3.32Å; F345-K349 PolarHBondContact O-N 2.89Å; K349-K351 PolarHBondContact O-N 3.4Å | ||
| 350 | K | 61.4 | Low | 69.7 | Low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | trans | -49.9 | 129.1 | 134.6 | -71.8 | -175.3 | 177.7 | -179 | 0 | 106.8 | S348 T352 | S348-K350 VanDerWaalsContact C-N 3.28Å; S348-K350 PolarHBondContact O-N 2.95Å; K350-T352 PolarHBondContact O-N 3.33Å | ||
| 351 | K | 61.2 | Low | 69.5 | Low | 201 Ų | 201 | 140.4 Ų | 140.4 | 87% | 0.874 | 67% | 0.67 | S | S | * | * | trans | -62.8 | 95.5 | -168.1 | -64 | 175.7 | -176.4 | 172.8 | 0 | 110.9 | K349 | K349-K351 PolarHBondContact O-N 3.4Š| ||
| 352 | T | 61.4 | Low | 68.9 | Low | 109 Ų | 109 | 145.7 Ų | 145.7 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | trans | -74.4 | 125.8 | 166.4 | 47.7 | 0 | 0 | 0 | 0 | 108.9 | K350 R354 | K350-T352 PolarHBondContact O-N 3.33Å; T352-R354 VanDerWaalsContact C-N 3.26Å; T352-R354 PolarHBondContact O-N 2.78Å | ||
| 353 | N | 63.8 | Low | 68.5 | Low | 166 Ų | 166 | 145.4 Ų | 145.4 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | trans | -71.6 | 78.9 | -176.4 | -71.4 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 354 | R | 60.8 | Low | 68 | Low | 210 Ų | 210 | 141.8 Ų | 141.8 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | trans | -80.5 | 133.6 | 164.6 | -84.9 | 177.1 | 57.1 | 179 | -3.2 | 109.8 | T352 K356 | T352-R354 VanDerWaalsContact C-N 3.26Å; T352-R354 PolarHBondContact O-N 2.78Å; R354-K356 PolarHBondContact O-N 2.97Å | ||
| 355 | F | 74.6 | Confident | 67.7 | Low | 193 Ų | 193 | 146.2 Ų | 146.2 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | trans | -42.6 | 118.9 | 172.5 | 177 | -102.9 | 0 | 0 | 0 | 111.4 | ||||
| 356 | K | 72.1 | Confident | 68 | Low | 188 Ų | 188 | 141.6 Ų | 141.6 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | trans | -92.6 | 112.9 | 172.5 | -66.9 | -80.7 | -173.6 | 166.5 | 0 | 106.9 | R354 | R354-K356 PolarHBondContact O-N 2.97Š| ||
| 357 | A | 76.9 | Confident | 68.4 | Low | 72 Ų | 72 | 138.2 Ų | 138.2 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 147.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 358 | R | 79.3 | Confident | 68.9 | Low | 243 Ų | 243 | 135 Ų | 135 | 92% | 0.917 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128 | 173.3 | -70.7 | -177.6 | 175 | -177.4 | -2 | 108 | I360 | R358-I360 PolarHBondContact O-N 3.46Š|
| 359 | P | 77.1 | Confident | 69.7 | Low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.5 | 177.9 | 26.3 | -33.7 | 0 | 0 | 0 | 109.1 | ||
| 360 | I | 74.3 | Confident | 71 | Confident | 110 Ų | 110 | 131.8 Ų | 131.8 | 56% | 0.564 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.9 | 174.3 | -55.9 | 177 | 0 | 0 | 0 | 107.5 | R358 R362 T364 | R358-I360 PolarHBondContact O-N 3.46Å; I360-R362 PolarHBondContact O-N 2.89Å; I360-T364 HydrophobicContact CG2-CG2 3.53Å; I360-T364 WeakPolarHBondContact CG2-OG1 3.44Å |
| 361 | P | 80.6 | Confident | 72 | Confident | 83 Ų | 83 | 125.6 Ų | 125.6 | 54% | 0.539 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -51.4 | 136 | -176.9 | -29.5 | 36.2 | 0 | 0 | 0 | 112.1 | S363 T364 | P361-S363 WeakPolarHBondContact CB-OG 3.47Å; P361-S363 PolarHBondContact O-N 2.96Å; P361-T364 PolarHBondContact O-N 3.02Å; P361-T364 PolarHBondContact O-OG1 3.23Å; P361-T364 VanDerWaalsContact O-OG1 3.08Å |
| 362 | R | 69.1 | Low | 73.1 | Confident | 230 Ų | 230 | 122.7 Ų | 122.7 | 87% | 0.868 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -55.5 | -19.6 | -178.8 | -79 | -176.2 | 170.5 | -173.9 | -3.6 | 113.7 | I360 T364 Y365 G366 | I360-R362 PolarHBondContact O-N 2.89Å; R362-T364 PolarHBondContact O-N 3.5Å; R362-Y365 CarbonylContact O-C 3.56Å; R362-Y365 PolarHBondContact O-N 3.36Å; R362-Y365 VanDerWaalsContact O-N 3.08Å; R362-G366 PolarHBondContact O-N 3.29Å |
| 363 | S | 70.2 | Confident | 74.2 | Confident | 90 Ų | 90 | 122.2 Ų | 122.2 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -60.8 | -24.3 | 172.4 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | P361 Y365 G366 | P361-S363 WeakPolarHBondContact CB-OG 3.47Å; P361-S363 PolarHBondContact O-N 2.96Å; S363-Y365 PolarHBondContact O-N 3.19Å; S363-G366 PolarHBondContact O-N 2.79Å; S363-G366 VanDerWaalsContact O-N 3.17Å |
| 364 | T | 67.9 | Low | 75.2 | Confident | 72 Ų | 72 | 119.8 Ų | 119.8 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -71.1 | -23.3 | 173.2 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | I360 P361 R362 T369 | I360-T364 HydrophobicContact CG2-CG2 3.53Å; I360-T364 WeakPolarHBondContact CG2-OG1 3.44Å; P361-T364 PolarHBondContact O-N 3.02Å; P361-T364 PolarHBondContact O-OG1 3.23Å; P361-T364 VanDerWaalsContact O-OG1 3.08Å; R362-T364 PolarHBondContact O-N 3.5Å; T364-T369 PolarHBondContact O-OG1 2.94Å; T364-T369 VanDerWaalsContact O-OG1 3.11Å |
| 365 | Y | 69.9 | Low | 76.5 | Confident | 171 Ų | 171 | 114.7 Ų | 114.7 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -100.4 | 20.7 | 172.1 | -60.9 | -81.5 | 0 | 0 | 0 | 111.8 | R362 S363 | R362-Y365 CarbonylContact O-C 3.56Å; R362-Y365 PolarHBondContact O-N 3.36Å; R362-Y365 VanDerWaalsContact O-N 3.08Å; S363-Y365 PolarHBondContact O-N 3.19Å |
| 366 | G | 71.3 | Confident | 77.3 | Confident | 18 Ų | 18 | 110 Ų | 110 | 19% | 0.186 | 56% | 0.559 | C | S | . | * | trans | -56.7 | 145.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R362 S363 T368 T369 N370 | R362-G366 PolarHBondContact O-N 3.29Å; S363-G366 PolarHBondContact O-N 2.79Å; S363-G366 VanDerWaalsContact O-N 3.17Å; G366-T368 PolarHBondContact O-N 3.45Å; G366-T369 PolarHBondContact O-N 2.83Å; G366-T369 VanDerWaalsContact O-N 3.13Å; G366-T369 PolarHBondContact O-OG1 2.83Å; G366-N370 PolarHBondContact O-N 3.37Å; G366-N370 PolarHBondContact O-ND2 2.92Å | ||
| 367 | S | 70.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 107 Ų | 107 | 57% | 0.573 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -51.7 | -48.3 | 172.7 | 43 | 0 | 0 | 0 | 0 | 110.4 | T369 N370 D371 | S367-T369 PolarHBondContact O-N 3.17Å; S367-N370 PolarHBondContact O-N 3.11Å; S367-D371 VanDerWaalsContact C-OD2 3.27Å; S367-D371 WeakPolarHBondContact O-CB 3.46Å; S367-D371 PolarHBondContact O-N 2.97Å |
| 368 | T | 73.6 | Confident | 79 | Confident | 94 Ų | 94 | 109 Ų | 109 | 58% | 0.577 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.5 | -21.7 | 178.9 | 61.4 | 0 | 0 | 0 | 0 | 115.8 | G366 K372 | G366-T368 PolarHBondContact O-N 3.45Å; T368-K372 WeakPolarHBondContact O-CD 3.42Å; T368-K372 VanDerWaalsContact O-CG 3.22Å; T368-K372 WeakPolarHBondContact O-CG 3.44Å |
| 369 | T | 75.7 | Confident | 79.5 | Confident | 53 Ų | 53 | 105 Ų | 105 | 33% | 0.325 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -89.8 | -38 | 173.1 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | T364 G366 S367 L373 | T364-T369 PolarHBondContact O-OG1 2.94Å; T364-T369 VanDerWaalsContact O-OG1 3.11Å; G366-T369 PolarHBondContact O-N 2.83Å; G366-T369 VanDerWaalsContact O-N 3.13Å; G366-T369 PolarHBondContact O-OG1 2.83Å; S367-T369 PolarHBondContact O-N 3.17Å; T369-L373 WeakPolarHBondContact O-CG 3.48Å; T369-L373 PolarHBondContact O-N 2.84Å; T369-L373 VanDerWaalsContact O-N 3.14Å |
| 370 | N | 79.5 | Confident | 80.3 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 172.8 | -79.5 | -78 | 0 | 0 | 0 | 112.1 | G366 S367 L373 K374 | G366-N370 PolarHBondContact O-N 3.37Å; G366-N370 PolarHBondContact O-ND2 2.92Å; S367-N370 PolarHBondContact O-N 3.11Å; N370-L373 PolarHBondContact O-N 3.09Å; N370-K374 WeakPolarHBondContact O-CG 3.43Å; N370-K374 PolarHBondContact O-N 3.47Å |
| 371 | D | 83 | Confident | 81.1 | Confident | 62 Ų | 62 | 106.5 Ų | 106.5 | 33% | 0.332 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.7 | -38.4 | -179.1 | -60.1 | -33.1 | 0 | 0 | 0 | 110.6 | S367 L373 K374 E375 | S367-D371 VanDerWaalsContact C-OD2 3.27Å; S367-D371 WeakPolarHBondContact O-CB 3.46Å; S367-D371 PolarHBondContact O-N 2.97Å; D371-L373 VanDerWaalsContact C-N 3.33Å; D371-L373 PolarHBondContact O-N 3.37Å; D371-K374 PolarHBondContact O-N 3.06Å; D371-K374 IonicContact OD1-NZ 2.91Å; D371-K374 PolarHBondContact OD1-NZ 3.27Å; D371-E375 WeakPolarHBondContact O-CB 3.35Å; D371-E375 WeakPolarHBondContact O-CG 3.49Å; D371-E375 PolarHBondContact O-N 3.32Å |
| 372 | K | 83.8 | Confident | 81.7 | Confident | 139 Ų | 139 | 106.8 Ų | 106.8 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -36.7 | 168.4 | -76.2 | 175.4 | -176 | -175.4 | 0 | 113.8 | T368 E376 | T368-K372 WeakPolarHBondContact O-CD 3.42Å; T368-K372 VanDerWaalsContact O-CG 3.22Å; T368-K372 WeakPolarHBondContact O-CG 3.44Å; K372-E376 PolarHBondContact O-N 3.37Å |
| 373 | L | 83.6 | Confident | 82.8 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 176.1 | -72.5 | 170.8 | 0 | 0 | 0 | 111.4 | T369 N370 D371 E375 E376 E377 | T369-L373 WeakPolarHBondContact O-CG 3.48Å; T369-L373 PolarHBondContact O-N 2.84Å; T369-L373 VanDerWaalsContact O-N 3.14Å; N370-L373 PolarHBondContact O-N 3.09Å; D371-L373 VanDerWaalsContact C-N 3.33Å; D371-L373 PolarHBondContact O-N 3.37Å; L373-E375 VanDerWaalsContact C-N 3.35Å; L373-E376 PolarHBondContact O-N 3.48Å; L373-E377 WeakPolarHBondContact O-CG 3.32Å; L373-E377 PolarHBondContact O-N 3.22Å |
| 374 | K | 86.1 | Confident | 83.8 | Confident | 115 Ų | 115 | 104.8 Ų | 104.8 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 172.9 | -64.6 | 168.7 | -164.1 | 159 | 0 | 111.4 | N370 D371 E377 L378 | N370-K374 WeakPolarHBondContact O-CG 3.43Å; N370-K374 PolarHBondContact O-N 3.47Å; D371-K374 PolarHBondContact O-N 3.06Å; D371-K374 IonicContact OD1-NZ 2.91Å; D371-K374 PolarHBondContact OD1-NZ 3.27Å; K374-E377 PolarHBondContact O-N 3.28Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.05Å |
| 375 | E | 88.1 | Confident | 84.8 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 173.2 | -75 | 170.3 | -164.2 | 0 | 0 | 111.1 | D371 L373 E377 L378 Y379 | D371-E375 WeakPolarHBondContact O-CB 3.35Å; D371-E375 WeakPolarHBondContact O-CG 3.49Å; D371-E375 PolarHBondContact O-N 3.32Å; L373-E375 VanDerWaalsContact C-N 3.35Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 3.1Å; E375-L378 WeakPolarHBondContact O-CB 3.25Å; E375-L378 PolarHBondContact O-N 3.22Å; E375-Y379 HydrophobicContact CB-CD2 4.44Å; E375-Y379 HydrophobicContact CB-CE2 4.22Å; E375-Y379 WeakPolarHBondContact O-CD2 3.34Å; E375-Y379 PolarHBondContact O-N 3.19Å |
| 376 | E | 90.4 | Very high | 85.7 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 176.6 | -160.6 | -166.9 | 140.5 | 0 | 0 | 112.2 | K372 L373 Y379 R380 | K372-E376 PolarHBondContact O-N 3.37Å; L373-E376 PolarHBondContact O-N 3.48Å; E376-Y379 PolarHBondContact O-N 3.48Å; E376-R380 WeakPolarHBondContact O-CB 3.43Å; E376-R380 VanDerWaalsContact O-CG 3.3Å; E376-R380 WeakPolarHBondContact O-CG 3.36Å; E376-R380 PolarHBondContact O-N 3.14Å; E376-R380 IonicContact OE1-CZ 3.81Å; E376-R380 IonicContact OE1-NE 3.45Å; E376-R380 PolarHBondContact OE1-NE 3.4Å; E376-R380 IonicContact OE1-NH2 3.11Å; E376-R380 PolarHBondContact OE1-NH2 3.29Å |
| 377 | E | 91.9 | Very high | 86.5 | Confident | 124 Ų | 124 | 109.7 Ų | 109.7 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 172.4 | -73.2 | 178 | 175.2 | 0 | 0 | 111.9 | L373 K374 E375 R380 N381 | L373-E377 WeakPolarHBondContact O-CG 3.32Å; L373-E377 PolarHBondContact O-N 3.22Å; K374-E377 PolarHBondContact O-N 3.28Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 3.1Å; E377-R380 PolarHBondContact O-N 3.31Å; E377-N381 WeakPolarHBondContact O-CB 3.36Å; E377-N381 PolarHBondContact O-N 2.89Å; E377-N381 PolarHBondContact O-ND2 2.94Å |
| 378 | L | 93.1 | Very high | 87.2 | Confident | 116 Ų | 116 | 108.5 Ų | 108.5 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 173.9 | -68.5 | 172.3 | 0 | 0 | 0 | 111.8 | K374 E375 R380 N381 L382 | K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.05Å; E375-L378 WeakPolarHBondContact O-CB 3.25Å; E375-L378 PolarHBondContact O-N 3.22Å; L378-R380 PolarHBondContact O-N 3.36Å; L378-N381 PolarHBondContact O-N 3.44Å; L378-L382 WeakPolarHBondContact O-CB 3.45Å; L378-L382 PolarHBondContact O-N 3.45Å |
| 379 | Y | 90.3 | Very high | 87.8 | Confident | 159 Ų | 159 | 109.1 Ų | 109.1 | 62% | 0.624 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -37 | 175.1 | -73 | -61.7 | 0 | 0 | 0 | 112.4 | E375 E376 R383 | E375-Y379 HydrophobicContact CB-CD2 4.44Å; E375-Y379 HydrophobicContact CB-CE2 4.22Å; E375-Y379 WeakPolarHBondContact O-CD2 3.34Å; E375-Y379 PolarHBondContact O-N 3.19Å; E376-Y379 PolarHBondContact O-N 3.48Å; Y379-R383 VanDerWaalsContact O-CB 3.27Å; Y379-R383 WeakPolarHBondContact O-CB 3.24Å; Y379-R383 PolarHBondContact O-N 3.39Å |
| 380 | R | 92.4 | Very high | 88.2 | Confident | 158 Ų | 158 | 112 Ų | 112 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 173 | -77.7 | 175.5 | 178.4 | -120.3 | 1.6 | 111.9 | E376 E377 L378 R383 T384 | E376-R380 WeakPolarHBondContact O-CB 3.43Å; E376-R380 VanDerWaalsContact O-CG 3.3Å; E376-R380 WeakPolarHBondContact O-CG 3.36Å; E376-R380 PolarHBondContact O-N 3.14Å; E376-R380 IonicContact OE1-CZ 3.81Å; E376-R380 IonicContact OE1-NE 3.45Å; E376-R380 PolarHBondContact OE1-NE 3.4Å; E376-R380 IonicContact OE1-NH2 3.11Å; E376-R380 PolarHBondContact OE1-NH2 3.29Å; E377-R380 PolarHBondContact O-N 3.31Å; L378-R380 PolarHBondContact O-N 3.36Å; R380-R383 PolarHBondContact O-N 3.3Å; R380-T384 WeakPolarHBondContact O-CB 3.25Å; R380-T384 PolarHBondContact O-N 2.91Å; R380-T384 PolarHBondContact O-OG1 3.45Å |
| 381 | N | 91.1 | Very high | 88.1 | Confident | 102 Ų | 102 | 116.8 Ų | 116.8 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 176.9 | -70.1 | -22.8 | 0 | 0 | 0 | 110.8 | E377 L378 R383 T384 Q385 | E377-N381 WeakPolarHBondContact O-CB 3.36Å; E377-N381 PolarHBondContact O-N 2.89Å; E377-N381 PolarHBondContact O-ND2 2.94Å; L378-N381 PolarHBondContact O-N 3.44Å; N381-R383 VanDerWaalsContact C-N 3.34Å; N381-R383 PolarHBondContact O-N 3.3Å; N381-T384 WeakPolarHBondContact O-CB 3.43Å; N381-T384 PolarHBondContact O-N 2.93Å; N381-T384 VanDerWaalsContact O-N 3.09Å; N381-Q385 PolarHBondContact O-N 3.09Å |
| 382 | L | 93.4 | Very high | 87.8 | Confident | 89 Ų | 89 | 120 Ų | 120 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.7 | -44.8 | 175.6 | -176.7 | 65.1 | 0 | 0 | 0 | 111.9 | L378 T384 Q385 L386 | L378-L382 WeakPolarHBondContact O-CB 3.45Å; L378-L382 PolarHBondContact O-N 3.45Å; L382-T384 VanDerWaalsContact C-N 3.3Å; L382-T384 PolarHBondContact O-N 2.88Å; L382-Q385 PolarHBondContact O-N 2.9Å; L382-L386 HydrophobicContact CG-CD1 4.33Å; L382-L386 WeakPolarHBondContact O-CG 3.22Å; L382-L386 PolarHBondContact O-N 3.42Å |
| 383 | R | 92.6 | Very high | 87.2 | Confident | 187 Ų | 187 | 120.1 Ų | 120.1 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.4 | -31.2 | 177.3 | -164.8 | 174.1 | -169.8 | 176.2 | 3.5 | 112.7 | Y379 R380 N381 R387 | Y379-R383 VanDerWaalsContact O-CB 3.27Å; Y379-R383 WeakPolarHBondContact O-CB 3.24Å; Y379-R383 PolarHBondContact O-N 3.39Å; R380-R383 PolarHBondContact O-N 3.3Å; N381-R383 VanDerWaalsContact C-N 3.34Å; N381-R383 PolarHBondContact O-N 3.3Å; R383-R387 WeakPolarHBondContact O-CB 3.45Å; R383-R387 PolarHBondContact O-N 3.31Å; R383-R387 VanDerWaalsContact O-N 3.14Å |
| 384 | T | 90.1 | Very high | 86.7 | Confident | 91 Ų | 91 | 121.1 Ų | 121.1 | 56% | 0.558 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.6 | -41.3 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | R380 N381 L382 R387 A388 | R380-T384 WeakPolarHBondContact O-CB 3.25Å; R380-T384 PolarHBondContact O-N 2.91Å; R380-T384 PolarHBondContact O-OG1 3.45Å; N381-T384 WeakPolarHBondContact O-CB 3.43Å; N381-T384 PolarHBondContact O-N 2.93Å; N381-T384 VanDerWaalsContact O-N 3.09Å; L382-T384 VanDerWaalsContact C-N 3.3Å; L382-T384 PolarHBondContact O-N 2.88Å; T384-R387 PolarHBondContact O-N 3.1Å; T384-A388 PolarHBondContact O-N 2.93Å |
| 385 | Q | 89.6 | Confident | 85.5 | Confident | 131 Ų | 131 | 119 Ų | 119 | 61% | 0.612 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.7 | -45.8 | 175.1 | -171.3 | 177.9 | 9.6 | 0 | 0 | 111.7 | N381 L382 R387 A388 Q389 | N381-Q385 PolarHBondContact O-N 3.09Å; L382-Q385 PolarHBondContact O-N 2.9Å; Q385-R387 VanDerWaalsContact C-N 3.34Å; Q385-R387 PolarHBondContact O-N 2.68Å; Q385-A388 WeakPolarHBondContact O-CB 3.36Å; Q385-A388 PolarHBondContact O-N 3.14Å; Q385-A388 VanDerWaalsContact O-N 3.12Å; Q385-Q389 PolarHBondContact O-N 3.26Å |
| 386 | L | 88.8 | Confident | 84.1 | Confident | 98 Ų | 98 | 119 Ų | 119 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.9 | -42.2 | 174.7 | -73.9 | 170.6 | 0 | 0 | 0 | 112 | L382 A388 Q389 E390 | L382-L386 HydrophobicContact CG-CD1 4.33Å; L382-L386 WeakPolarHBondContact O-CG 3.22Å; L382-L386 PolarHBondContact O-N 3.42Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 3.28Å; L386-Q389 PolarHBondContact O-N 3.23Å; L386-E390 VanDerWaalsContact O-CB 3.29Å; L386-E390 WeakPolarHBondContact O-CB 3.17Å; L386-E390 PolarHBondContact O-N 2.83Å |
| 387 | R | 88.3 | Confident | 82.4 | Confident | 135 Ų | 135 | 120 Ų | 120 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -34.9 | 174.2 | -178 | -177.6 | -69.8 | -171.9 | -4.3 | 112.7 | R383 T384 Q385 R391 | R383-R387 WeakPolarHBondContact O-CB 3.45Å; R383-R387 PolarHBondContact O-N 3.31Å; R383-R387 VanDerWaalsContact O-N 3.14Å; T384-R387 PolarHBondContact O-N 3.1Å; Q385-R387 VanDerWaalsContact C-N 3.34Å; Q385-R387 PolarHBondContact O-N 2.68Å; R387-R391 WeakPolarHBondContact O-CG 3.44Å; R387-R391 PolarHBondContact O-N 2.9Å; R387-R391 VanDerWaalsContact O-N 3.1Å |
| 388 | A | 85.9 | Confident | 80.4 | Confident | 56 Ų | 56 | 121.6 Ų | 121.6 | 46% | 0.463 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.4 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T384 Q385 L386 R391 L392 | T384-A388 PolarHBondContact O-N 2.93Å; Q385-A388 WeakPolarHBondContact O-CB 3.36Å; Q385-A388 PolarHBondContact O-N 3.14Å; Q385-A388 VanDerWaalsContact O-N 3.12Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 3.28Å; A388-R391 PolarHBondContact O-N 2.88Å; A388-L392 PolarHBondContact O-N 3.03Å |
| 389 | Q | 85.4 | Confident | 77.8 | Confident | 108 Ų | 108 | 122 Ų | 122 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.8 | -43.3 | 174.9 | -173.5 | 177.7 | 2.4 | 0 | 0 | 111.9 | Q385 L386 R391 L392 Q393 | Q385-Q389 PolarHBondContact O-N 3.26Å; L386-Q389 PolarHBondContact O-N 3.23Å; Q389-R391 VanDerWaalsContact C-N 3.33Å; Q389-R391 PolarHBondContact O-N 2.97Å; Q389-L392 WeakPolarHBondContact O-CB 3.3Å; Q389-L392 PolarHBondContact O-N 2.96Å; Q389-L392 VanDerWaalsContact O-N 3.14Å; Q389-Q393 WeakPolarHBondContact O-CG 3.46Å; Q389-Q393 PolarHBondContact O-N 3.26Å |
| 390 | E | 84.2 | Confident | 75.2 | Confident | 113 Ų | 113 | 119.9 Ų | 119.9 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -57.1 | -44.9 | 173.4 | 178.2 | -177.2 | -161.2 | 0 | 0 | 111.3 | L386 L392 Q393 N394 | L386-E390 VanDerWaalsContact O-CB 3.29Å; L386-E390 WeakPolarHBondContact O-CB 3.17Å; L386-E390 PolarHBondContact O-N 2.83Å; E390-L392 VanDerWaalsContact C-N 3.33Å; E390-L392 PolarHBondContact O-N 3.5Å; E390-Q393 PolarHBondContact O-N 3.41Å; E390-N394 WeakPolarHBondContact CG-ND2 3.44Å; E390-N394 VanDerWaalsContact O-CB 3.27Å; E390-N394 WeakPolarHBondContact O-CB 3.46Å; E390-N394 PolarHBondContact O-N 3.27Å; E390-N394 PolarHBondContact O-ND2 3.1Å |
| 391 | R | 77.9 | Confident | 72.7 | Confident | 173 Ų | 173 | 124 Ų | 124 | 65% | 0.653 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.7 | -37.3 | 174.8 | -77.2 | 171.8 | 172.7 | 162.8 | -6.3 | 113.2 | R387 A388 Q389 S395 | R387-R391 WeakPolarHBondContact O-CG 3.44Å; R387-R391 PolarHBondContact O-N 2.9Å; R387-R391 VanDerWaalsContact O-N 3.1Å; A388-R391 PolarHBondContact O-N 2.88Å; Q389-R391 VanDerWaalsContact C-N 3.33Å; Q389-R391 PolarHBondContact O-N 2.97Å; R391-S395 PolarHBondContact O-N 3.15Å; R391-S395 VanDerWaalsContact O-N 3.13Å; R391-S395 PolarHBondContact O-OG 2.72Å |
| 392 | L | 76 | Confident | 70.1 | Confident | 128 Ų | 128 | 124 Ų | 124 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.9 | -33.5 | 176.7 | -168.3 | 74.3 | 0 | 0 | 0 | 112.5 | A388 Q389 E390 S395 | A388-L392 PolarHBondContact O-N 3.03Å; Q389-L392 WeakPolarHBondContact O-CB 3.3Å; Q389-L392 PolarHBondContact O-N 2.96Å; Q389-L392 VanDerWaalsContact O-N 3.14Å; E390-L392 VanDerWaalsContact C-N 3.33Å; E390-L392 PolarHBondContact O-N 3.5Å; L392-S395 PolarHBondContact O-OG 3.22Å |
| 393 | Q | 72.1 | Confident | 67.1 | Low | 143 Ų | 143 | 124.3 Ų | 124.3 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -78 | -34.3 | 175.4 | -65.9 | -65.5 | -24.4 | 0 | 0 | 112 | Q389 E390 S395 | Q389-Q393 WeakPolarHBondContact O-CG 3.46Å; Q389-Q393 PolarHBondContact O-N 3.26Å; E390-Q393 PolarHBondContact O-N 3.41Å; Q393-S395 VanDerWaalsContact C-N 3.33Å |
| 394 | N | 72.3 | Confident | 64.4 | Low | 121 Ų | 121 | 127.8 Ų | 127.8 | 65% | 0.647 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -79.5 | -11.4 | 178.7 | -69.2 | -18.4 | 0 | 0 | 0 | 113.5 | E390 S396 | E390-N394 WeakPolarHBondContact CG-ND2 3.44Å; E390-N394 VanDerWaalsContact O-CB 3.27Å; E390-N394 WeakPolarHBondContact O-CB 3.46Å; E390-N394 PolarHBondContact O-N 3.27Å; E390-N394 PolarHBondContact O-ND2 3.1Å; N394-S396 PolarHBondContact O-N 2.68Å |
| 395 | S | 61.2 | Low | 61.7 | Low | 70 Ų | 70 | 127 Ų | 127 | 49% | 0.49 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -77.2 | 96.3 | 168.9 | 54.7 | 0 | 0 | 0 | 0 | 111 | R391 L392 Q393 | R391-S395 PolarHBondContact O-N 3.15Å; R391-S395 VanDerWaalsContact O-N 3.13Å; R391-S395 PolarHBondContact O-OG 2.72Å; L392-S395 PolarHBondContact O-OG 3.22Å; Q393-S395 VanDerWaalsContact C-N 3.33Å |
| 396 | S | 59.8 | Low | 59 | Low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.3 | 172.5 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | N394 L398 | N394-S396 PolarHBondContact O-N 2.68Å; S396-L398 PolarHBondContact O-N 3.02Å |
| 397 | P | 55 | Low | 56.4 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 121.7 | 173.8 | -13.8 | 27.8 | 0 | 0 | 0 | 110.5 | ||
| 398 | L | 48.8 | Very low | 54 | Low | 158 Ų | 158 | 138.9 Ų | 138.9 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 142 | 162.4 | -68.6 | 174.7 | 0 | 0 | 0 | 109.2 | S396 C400 | S396-L398 PolarHBondContact O-N 3.02Å; L398-C400 VanDerWaalsContact C-N 3.34Å; L398-C400 PolarHBondContact O-N 3.46Å |
| 399 | P | 38.5 | Very low | 51.9 | Low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -72.3 | 87.9 | -177.6 | 29.4 | -34.8 | 0 | 0 | 0 | 110.8 | R401 | P399-R401 PolarHBondContact O-N 2.97Š| ||
| 400 | C | 36.3 | Very low | 49.4 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | trans | -63.8 | 114.9 | 169 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | L398 S402 | L398-C400 VanDerWaalsContact C-N 3.34Å; L398-C400 PolarHBondContact O-N 3.46Å; C400-S402 PolarHBondContact O-N 3.41Å | ||
| 401 | R | 38.4 | Very low | 47 | Very low | 245 Ų | 245 | 148.7 Ų | 148.7 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -67.7 | 95.4 | 175.1 | -69.9 | -179.3 | -179.2 | -108.5 | 2.3 | 108.8 | P399 A403 | P399-R401 PolarHBondContact O-N 2.97Å; R401-A403 PolarHBondContact O-N 3.4Å | ||
| 402 | S | 36.8 | Very low | 45.3 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 114.9 | 177.2 | 46.4 | 0 | 0 | 0 | 0 | 111 | C400 | C400-S402 PolarHBondContact O-N 3.41Š| ||
| 403 | A | 31.9 | Very low | 43.2 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -66.3 | 141.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R401 | R401-A403 PolarHBondContact O-N 3.4Š| ||
| 404 | W | 34.3 | Very low | 41.5 | Very low | 260 Ų | 260 | 151.6 Ų | 151.6 | 99% | 0.985 | 80% | 0.8 | S | S | * | * | trans | -78.8 | 131.9 | -171 | -67.6 | 64.4 | 0 | 0 | 0 | 111 | ||||
| 405 | G | 33.9 | Very low | 39.8 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 176.4 | 47.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 406 | R | 32.9 | Very low | 38.6 | Very low | 234 Ų | 234 | 153 Ų | 153 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -71.3 | 132.6 | 171.1 | -66.6 | -170.2 | -167.8 | -83.8 | 1.9 | 110.6 | ||||
| 407 | R | 35.5 | Very low | 37.9 | Very low | 244 Ų | 244 | 157 Ų | 157 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -140.6 | 121.2 | 150.8 | -148.1 | 176 | -80.9 | -175.1 | -3.5 | 107.9 | ||||
| 408 | N | 36 | Very low | 37.1 | Very low | 135 Ų | 135 | 159.6 Ų | 159.6 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 147.1 | -165 | -50 | -38 | 0 | 0 | 0 | 112.1 | ||
| 409 | P | 43.7 | Very low | 36.6 | Very low | 120 Ų | 120 | 161 Ų | 161 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 134.6 | 145.1 | 31.9 | -25.5 | 0 | 0 | 0 | 109.9 | ||
| 410 | R | 32.5 | Very low | 36.3 | Very low | 245 Ų | 245 | 160.9 Ų | 160.9 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 133.3 | 167 | -70.5 | 177.4 | 176.4 | 169.3 | -2.3 | 108.7 | ||
| 411 | C | 33 | Very low | 36.4 | Very low | 119 Ų | 119 | 164 Ų | 164 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -124.9 | 150 | 158.5 | -74.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 412 | P | 42.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -81.7 | 135.8 | -169.8 | 31.6 | -33.8 | 0 | 0 | 0 | 113.4 | ||||
| 413 | E | 31.1 | Very low | 36.4 | Very low | 180 Ų | 180 | 165.7 Ų | 165.7 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | trans | 17.8 | 109.3 | 139.7 | -166.9 | 159.5 | -145.9 | 0 | 0 | 119.3 | ||||
| 414 | Q | 36.4 | Very low | 36.4 | Very low | 199 Ų | 199 | 167.3 Ų | 167.3 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | -147.7 | 123.8 | 135.6 | -114.4 | 168.8 | 57.7 | 0 | 0 | 110.2 | ||||
| 415 | A | 36.8 | Very low | 36.4 | Very low | 87 Ų | 87 | 166.9 Ų | 166.9 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | trans | -98.1 | 117.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 416 | V | 37.1 | Very low | 36.5 | Very low | 135 Ų | 135 | 169 Ų | 169 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -124.3 | 108.9 | 159.8 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 417 | K | 44.7 | Very low | 36.6 | Very low | 187 Ų | 187 | 169.3 Ų | 169.3 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -76.3 | 118.7 | 177 | -63.4 | 161.7 | -178.9 | 164.6 | 0 | 109 | ||||
| 418 | L | 38.4 | Very low | 36.6 | Very low | 168 Ų | 168 | 163.8 Ų | 163.8 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | trans | -122 | 122.2 | 156.1 | -73.5 | 179 | 0 | 0 | 0 | 110.5 | ||||
| 419 | K | 37 | Very low | 36.9 | Very low | 189 Ų | 189 | 162.7 Ų | 162.7 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -87.3 | 118.1 | -175.3 | -60.9 | 165.8 | -178.8 | 168 | 0 | 108.6 | ||||
| 420 | C | 32.8 | Very low | 36.8 | Very low | 119 Ų | 119 | 163.5 Ų | 163.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -116.7 | 111.7 | 157.5 | -168.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 421 | K | 38 | Very low | 37.2 | Very low | 181 Ų | 181 | 161.2 Ų | 161.2 | 79% | 0.787 | 82% | 0.824 | S | S | * | * | trans | -93.5 | 120.1 | 176.4 | -68.6 | -177.5 | 177.5 | -179.7 | 0 | 108.7 | ||||
| 422 | H | 37.1 | Very low | 38.1 | Very low | 178 Ų | 178 | 164 Ų | 164 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -121 | 117.6 | 153.6 | -95.2 | 78.7 | 0 | 0 | 0 | 108.9 | ||||
| 423 | K | 38.3 | Very low | 38.6 | Very low | 203 Ų | 203 | 165.2 Ų | 165.2 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -82.8 | 116.5 | 175.7 | -74.1 | 176.9 | 174.4 | 177.3 | 0 | 108.4 | ||||
| 424 | V | 32.5 | Very low | 39.5 | Very low | 131 Ų | 131 | 162.7 Ų | 162.7 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -116.8 | 121.5 | 156.4 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | C426 | V424-C426 PolarHBondContact O-N 2.97Š| ||
| 425 | R | 34.9 | Very low | 40.3 | Very low | 250 Ų | 250 | 158.9 Ų | 158.9 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -75 | 115.4 | 173.2 | -86.2 | -178 | 162.5 | -169.2 | -3 | 108.8 | ||||
| 426 | C | 35.7 | Very low | 41.1 | Very low | 121 Ų | 121 | 161.3 Ų | 161.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -127.3 | 139.5 | 147.9 | -79.6 | 0 | 0 | 0 | 0 | 108 | V424 | V424-C426 PolarHBondContact O-N 2.97Š| ||
| 427 | R | 33.3 | Very low | 41.7 | Very low | 240 Ų | 240 | 164.1 Ų | 164.1 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143.5 | -174.2 | -67.4 | 176.6 | 171.4 | -171.2 | -3.6 | 110.7 | P429 | R427-P429 WeakPolarHBondContact O-CD 3.36Š|
| 428 | T | 37.2 | Very low | 41.9 | Very low | 128 Ų | 128 | 165.2 Ų | 165.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 128.3 | 156.3 | -20.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 429 | P | 41.8 | Very low | 42.5 | Very low | 112 Ų | 112 | 165 Ų | 165 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 116 | 147.2 | -3.8 | 24.4 | 0 | 0 | 0 | 106.9 | R427 | R427-P429 WeakPolarHBondContact O-CD 3.36Š|
| 430 | D | 41.6 | Very low | 43.1 | Very low | 136 Ų | 136 | 163 Ų | 163 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -96 | 114.4 | 172.1 | -164.8 | 15.1 | 0 | 0 | 0 | 107 | ||||
| 431 | F | 40.8 | Very low | 43.7 | Very low | 197 Ų | 197 | 164.2 Ų | 164.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -148.7 | 117.3 | 167.7 | -82.6 | -67.9 | 0 | 0 | 0 | 109 | ||||
| 432 | E | 52.2 | Low | 44.2 | Very low | 178 Ų | 178 | 162.7 Ų | 162.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -61.9 | 175.5 | 161.9 | -56.9 | -174 | 135.6 | 0 | 0 | 110.4 | ||||
| 433 | D | 52.6 | Low | 44.8 | Very low | 150 Ų | 150 | 158 Ų | 158 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 71.5 | 93.5 | -177.4 | -59.9 | -26.6 | 0 | 0 | 0 | 117.9 | ||||
| 434 | L | 51 | Low | 45.2 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | -178.7 | 88.7 | 129.9 | -99.6 | 155.1 | 0 | 0 | 0 | 113.6 | R437 | L434-R437 HydrophobicContact CD2-CG 3.96Š| |||
| 435 | P | 52.5 | Low | 45.9 | Very low | 119 Ų | 119 | 158 Ų | 158 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -116.2 | 29.5 | 172.3 | 40.3 | -30.5 | 0 | 0 | 0 | 115.1 | ||
| 436 | E | 52.9 | Low | 46.5 | Very low | 138 Ų | 138 | 154.7 Ų | 154.7 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -120 | -25.9 | -179.8 | -74.5 | -156.5 | 140.1 | 0 | 0 | 116.6 | Y438 | E436-Y438 PolarHBondContact O-N 3.43Š|
| 437 | R | 51 | Low | 46.6 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -16.7 | -168.3 | -67 | -171.5 | 179.9 | -172.7 | 1 | 115 | L434 | L434-R437 HydrophobicContact CD2-CG 3.96Š|
| 438 | Y | 48.9 | Very low | 47.3 | Very low | 211 Ų | 211 | 147.9 Ų | 147.9 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -13.6 | -177.2 | -72.4 | -76 | 0 | 0 | 0 | 115 | E436 | E436-Y438 PolarHBondContact O-N 3.43Š|
| 439 | Q | 50.3 | Low | 48 | Very low | 164 Ų | 164 | 151 Ų | 151 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -22.2 | -178.6 | -163.3 | 164.6 | 1.3 | 0 | 0 | 113.2 | ||
| 440 | K | 49.3 | Very low | 48.1 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -79 | -18.3 | -175.6 | -66.5 | -177.6 | 179.6 | 174.2 | 0 | 114.8 | S443 | K440-S443 PolarHBondContact O-OG 3Š|
| 441 | H | 45.8 | Very low | 48.5 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -87.6 | -0.6 | -179.6 | -76.6 | -66.3 | 0 | 0 | 0 | 115.2 | ||
| 442 | L | 47.7 | Very low | 48.6 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -101.2 | -5.9 | -179.5 | -70.1 | 174.9 | 0 | 0 | 0 | 114.5 | ||
| 443 | S | 50.9 | Low | 48.5 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 56% | 0.559 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -88.6 | -25.9 | -179.2 | 37.9 | 0 | 0 | 0 | 0 | 114.6 | K440 H445 | K440-S443 PolarHBondContact O-OG 3Å; S443-H445 PolarHBondContact O-N 3.27Å |
| 444 | E | 47.1 | Very low | 48.4 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -11.1 | -166.4 | -63.1 | -175.5 | 157.9 | 0 | 0 | 115 | ||
| 445 | H | 46.4 | Very low | 48.8 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 21.4 | 179.2 | -74.5 | -53 | 0 | 0 | 0 | 115 | S443 | S443-H445 PolarHBondContact O-N 3.27Š|
| 446 | K | 46.8 | Very low | 48.9 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | -99.5 | 68.8 | 173.2 | -69.4 | -174.5 | -179.4 | 177.8 | 0 | 112.1 | ||||
| 447 | S | 39 | Very low | 48.9 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -71.1 | 132 | 161.1 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | K449 | S447-K449 PolarHBondContact O-N 3.18Š| ||
| 448 | P | 46.9 | Very low | 48.8 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 115.9 | 174.7 | 27.3 | -32.3 | 0 | 0 | 0 | 109 | L450 | P448-L450 PolarHBondContact O-N 2.88Å; P448-L450 VanDerWaalsContact O-N 3.15Å | ||
| 449 | K | 53.1 | Low | 48.8 | Very low | 194 Ų | 194 | 146.1 Ų | 146.1 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -66.6 | 113.9 | 169.1 | -68.1 | -179.9 | -178.7 | 177.7 | 0 | 107.7 | S447 L451 | S447-K449 PolarHBondContact O-N 3.18Å; K449-L451 PolarHBondContact O-N 2.72Å | ||
| 450 | L | 43.3 | Very low | 48.6 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -51.6 | 135.5 | 173.8 | -66.2 | 168.9 | 0 | 0 | 0 | 109.6 | P448 T452 | P448-L450 PolarHBondContact O-N 2.88Å; P448-L450 VanDerWaalsContact O-N 3.15Å; L450-T452 PolarHBondContact O-N 3.47Å | ||
| 451 | L | 50 | Low | 48.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | -65.2 | 99.2 | 173.7 | -82.6 | 89.2 | 0 | 0 | 0 | 109.3 | K449 V453 | K449-L451 PolarHBondContact O-N 2.72Å; L451-V453 PolarHBondContact O-N 3.05Å | ||
| 452 | T | 43 | Very low | 49.1 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 99.2 | 161.7 | 42.8 | 0 | 0 | 0 | 0 | 108.5 | L450 C454 | L450-T452 PolarHBondContact O-N 3.47Å; T452-C454 PolarHBondContact O-N 3.5Å | ||
| 453 | V | 49.6 | Very low | 49.6 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -53.9 | 122.1 | 168.3 | 175.7 | 0 | 0 | 0 | 0 | 108.5 | L451 K455 | L451-V453 PolarHBondContact O-N 3.05Å; V453-K455 PolarHBondContact O-N 2.97Å | ||
| 454 | C | 51.6 | Low | 49.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -65.6 | 105.4 | 173.8 | -69.1 | 0 | 0 | 0 | 0 | 109.3 | T452 | T452-C454 PolarHBondContact O-N 3.5Š| ||
| 455 | K | 59.3 | Low | 50.2 | Low | 189 Ų | 189 | 134.7 Ų | 134.7 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.9 | 163 | -156.1 | 176.4 | -172.6 | -177.3 | 0 | 107 | V453 F457 | V453-K455 PolarHBondContact O-N 2.97Å; K455-F457 PolarHBondContact O-N 2.99Å |
| 456 | P | 54 | Low | 50.9 | Low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 134.5 | 179.2 | 23.8 | -32.9 | 0 | 0 | 0 | 109.4 | ||
| 457 | F | 52.1 | Low | 51.8 | Low | 163 Ų | 163 | 124.7 Ų | 124.7 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 118.5 | 178.2 | 56.3 | -87.9 | 0 | 0 | 0 | 109 | K455 L459 | K455-F457 PolarHBondContact O-N 2.99Å; F457-L459 HydrophobicContact CD2-CD2 3.95Å; F457-L459 HydrophobicContact CD2-CG 3.97Å; F457-L459 HydrophobicContact CE2-CD1 4.13Å; F457-L459 HydrophobicContact CE2-CD2 3.82Å; F457-L459 HydrophobicContact CE2-CG 3.83Å; F457-L459 PolarHBondContact O-N 2.89Å |
| 458 | D | 50.2 | Low | 53.3 | Low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 119.4 | 175.9 | -64.5 | -49.1 | 0 | 0 | 0 | 109.9 | H460 | D458-H460 PolarHBondContact O-N 2.92Š|
| 459 | L | 48.8 | Very low | 54.6 | Low | 155 Ų | 155 | 130.3 Ų | 130.3 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | trans | -78.1 | 32.6 | 177.5 | -77.6 | 174.8 | 0 | 0 | 0 | 113.4 | F457 | F457-L459 HydrophobicContact CD2-CD2 3.95Å; F457-L459 HydrophobicContact CD2-CG 3.97Å; F457-L459 HydrophobicContact CE2-CD1 4.13Å; F457-L459 HydrophobicContact CE2-CD2 3.82Å; F457-L459 HydrophobicContact CE2-CG 3.83Å; F457-L459 PolarHBondContact O-N 2.89Å | ||
| 460 | H | 46 | Very low | 55.8 | Low | 164 Ų | 164 | 127 Ų | 127 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -84.3 | 126.2 | 160.3 | -67.4 | -68.9 | 0 | 0 | 0 | 108.1 | D458 S462 | D458-H460 PolarHBondContact O-N 2.92Å; H460-S462 PolarHBondContact O-N 3.38Å |
| 461 | A | 55.3 | Low | 57.6 | Low | 103 Ų | 103 | 126.1 Ų | 126.1 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | trans | -54.7 | 99 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 462 | S | 50 | Low | 59 | Low | 64 Ų | 64 | 123 Ų | 123 | 45% | 0.448 | 66% | 0.657 | S | S | . | * | trans | -62.4 | 129.8 | 177.9 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | H460 H464 A465 | H460-S462 PolarHBondContact O-N 3.38Å; S462-H464 PolarHBondContact O-N 3.46Å; S462-A465 PolarHBondContact O-N 3.18Å | ||
| 463 | P | 57.2 | Low | 61 | Low | 87 Ų | 87 | 122.4 Ų | 122.4 | 57% | 0.565 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -19 | 176.7 | -27.7 | 35.6 | 0 | 0 | 0 | 114.1 | A465 S466 I467 | P463-A465 PolarHBondContact O-N 2.91Å; P463-S466 PolarHBondContact O-N 3.45Å; P463-S466 PolarHBondContact O-OG 2.91Å; P463-I467 WeakPolarHBondContact O-CG1 3.46Å; P463-I467 PolarHBondContact O-N 3.11Å; P463-I467 VanDerWaalsContact O-N 3.1Å |
| 464 | H | 53.8 | Low | 62.6 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 57% | 0.574 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66 | -17.4 | 174.8 | -62.1 | -46.5 | 0 | 0 | 0 | 114.2 | S462 K468 | S462-H464 PolarHBondContact O-N 3.46Å; H464-K468 WeakPolarHBondContact O-CB 3.26Å; H464-K468 VanDerWaalsContact O-CG 3.24Å; H464-K468 WeakPolarHBondContact O-CG 3.46Å; H464-K468 PolarHBondContact O-N 3.19Å; H464-K468 VanDerWaalsContact O-N 3.15Å |
| 465 | A | 58.7 | Low | 64.1 | Low | 58 Ų | 58 | 117 Ų | 117 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.9 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S462 P463 R469 | S462-A465 PolarHBondContact O-N 3.18Å; P463-A465 PolarHBondContact O-N 2.91Å; A465-R469 WeakPolarHBondContact O-CG 3.22Å; A465-R469 PolarHBondContact O-N 2.91Å |
| 466 | S | 60.9 | Low | 65 | Low | 59 Ų | 59 | 112.1 Ų | 112.1 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.1 | -44.7 | 171.5 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | P463 K468 R469 E470 | P463-S466 PolarHBondContact O-N 3.45Å; P463-S466 PolarHBondContact O-OG 2.91Å; S466-K468 VanDerWaalsContact C-N 3.26Å; S466-K468 PolarHBondContact O-N 3.41Å; S466-R469 CarbonylContact O-C 3.42Å; S466-R469 WeakPolarHBondContact O-CA 3.18Å; S466-R469 WeakPolarHBondContact O-CB 3.48Å; S466-R469 PolarHBondContact O-N 2.87Å; S466-E470 PolarHBondContact O-N 3.45Å |
| 467 | I | 64.3 | Low | 66.2 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -56.7 | -38.4 | 177.5 | -65.4 | 163.3 | 0 | 0 | 0 | 111.8 | P463 K471 | P463-I467 WeakPolarHBondContact O-CG1 3.46Å; P463-I467 PolarHBondContact O-N 3.11Å; P463-I467 VanDerWaalsContact O-N 3.1Å; I467-K471 VanDerWaalsContact O-CB 3.32Å; I467-K471 WeakPolarHBondContact O-CB 3.4Å; I467-K471 PolarHBondContact O-N 3.15Å |
| 468 | K | 70.9 | Confident | 67.4 | Low | 148 Ų | 148 | 106.8 Ų | 106.8 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.3 | -37.5 | 174.4 | -77 | 173.6 | -177.4 | -179 | 0 | 112.8 | H464 S466 I472 | H464-K468 WeakPolarHBondContact O-CB 3.26Å; H464-K468 VanDerWaalsContact O-CG 3.24Å; H464-K468 WeakPolarHBondContact O-CG 3.46Å; H464-K468 PolarHBondContact O-N 3.19Å; H464-K468 VanDerWaalsContact O-N 3.15Å; S466-K468 VanDerWaalsContact C-N 3.26Å; S466-K468 PolarHBondContact O-N 3.41Å; K468-I472 WeakPolarHBondContact O-CD1 3.33Å; K468-I472 VanDerWaalsContact O-CG1 3.25Å; K468-I472 WeakPolarHBondContact O-CG1 3.47Å; K468-I472 PolarHBondContact O-N 3.27Å; K468-I472 VanDerWaalsContact O-N 3.12Å |
| 469 | R | 74.8 | Confident | 68.5 | Low | 188 Ų | 188 | 104.8 Ų | 104.8 | 71% | 0.709 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.4 | -44.5 | 175.8 | -72.6 | 176.2 | 177.1 | 178.2 | -0.6 | 111.6 | A465 S466 K471 I472 L473 | A465-R469 WeakPolarHBondContact O-CG 3.22Å; A465-R469 PolarHBondContact O-N 2.91Å; S466-R469 CarbonylContact O-C 3.42Å; S466-R469 WeakPolarHBondContact O-CA 3.18Å; S466-R469 WeakPolarHBondContact O-CB 3.48Å; S466-R469 PolarHBondContact O-N 2.87Å; R469-K471 VanDerWaalsContact C-N 3.31Å; R469-K471 PolarHBondContact O-N 3.05Å; R469-I472 PolarHBondContact O-N 3.01Å; R469-L473 WeakPolarHBondContact O-CG 3.3Å; R469-L473 PolarHBondContact O-N 3.44Å |
| 470 | E | 77.6 | Confident | 69.6 | Low | 126 Ų | 126 | 102.7 Ų | 102.7 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.3 | -42 | 174 | -73 | 175.1 | 147.8 | 0 | 0 | 111.3 | S466 I472 L473 A474 | S466-E470 PolarHBondContact O-N 3.45Å; E470-I472 PolarHBondContact O-N 2.92Å; E470-L473 PolarHBondContact O-N 3.12Å; E470-A474 VanDerWaalsContact O-CB 3.32Å; E470-A474 WeakPolarHBondContact O-CB 3.45Å; E470-A474 PolarHBondContact O-N 3.33Å |
| 471 | K | 82.4 | Confident | 70.6 | Confident | 138 Ų | 138 | 100 Ų | 100 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 175.7 | -169.4 | 173.9 | -178.3 | -178.8 | 0 | 112.7 | I467 R469 A474 D475 | I467-K471 VanDerWaalsContact O-CB 3.32Å; I467-K471 WeakPolarHBondContact O-CB 3.4Å; I467-K471 PolarHBondContact O-N 3.15Å; R469-K471 VanDerWaalsContact C-N 3.31Å; R469-K471 PolarHBondContact O-N 3.05Å; K471-A474 PolarHBondContact O-N 3.36Å; K471-D475 WeakPolarHBondContact O-CB 3.3Å; K471-D475 PolarHBondContact O-N 3.21Å |
| 472 | I | 79.2 | Confident | 71.3 | Confident | 103 Ų | 103 | 102.3 Ų | 102.3 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 175.1 | -69.1 | 162.3 | 0 | 0 | 0 | 110.9 | K468 R469 E470 D475 I476 | K468-I472 WeakPolarHBondContact O-CD1 3.33Å; K468-I472 VanDerWaalsContact O-CG1 3.25Å; K468-I472 WeakPolarHBondContact O-CG1 3.47Å; K468-I472 PolarHBondContact O-N 3.27Å; K468-I472 VanDerWaalsContact O-N 3.12Å; R469-I472 PolarHBondContact O-N 3.01Å; E470-I472 PolarHBondContact O-N 2.92Å; I472-D475 PolarHBondContact O-N 3.11Å; I472-I476 HydrophobicContact CG2-CD1 3.93Å; I472-I476 WeakPolarHBondContact O-CD1 3.32Å; I472-I476 VanDerWaalsContact O-CG1 3.25Å; I472-I476 WeakPolarHBondContact O-CG1 3.31Å; I472-I476 PolarHBondContact O-N 2.91Å |
| 473 | L | 84.1 | Confident | 72.1 | Confident | 114 Ų | 114 | 104.4 Ų | 104.4 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | 176.4 | -68.8 | 170.8 | 0 | 0 | 0 | 111.9 | R469 E470 I476 E477 | R469-L473 WeakPolarHBondContact O-CG 3.3Å; R469-L473 PolarHBondContact O-N 3.44Å; E470-L473 PolarHBondContact O-N 3.12Å; L473-I476 PolarHBondContact O-N 2.87Å; L473-E477 WeakPolarHBondContact O-CB 3.43Å; L473-E477 PolarHBondContact O-N 3.17Å |
| 474 | A | 84.1 | Confident | 72.2 | Confident | 50 Ų | 50 | 109.5 Ų | 109.5 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | E470 K471 A478 | E470-A474 VanDerWaalsContact O-CB 3.32Å; E470-A474 WeakPolarHBondContact O-CB 3.45Å; E470-A474 PolarHBondContact O-N 3.33Å; K471-A474 PolarHBondContact O-N 3.36Å; A474-A478 WeakPolarHBondContact O-CB 3.36Å; A474-A478 PolarHBondContact O-N 3.05Å |
| 475 | D | 82.3 | Confident | 72.6 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 172.7 | -76.7 | -23.6 | 0 | 0 | 0 | 110.6 | K471 I472 A478 D479 | K471-D475 WeakPolarHBondContact O-CB 3.3Å; K471-D475 PolarHBondContact O-N 3.21Å; I472-D475 PolarHBondContact O-N 3.11Å; D475-A478 PolarHBondContact O-N 3.34Å; D475-D479 PolarHBondContact O-N 3.43Å |
| 476 | I | 78.7 | Confident | 72.7 | Confident | 86 Ų | 86 | 110.3 Ų | 110.3 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 173.5 | -68.2 | 163.7 | 0 | 0 | 0 | 111.3 | I472 L473 A478 D479 E480 | I472-I476 HydrophobicContact CG2-CD1 3.93Å; I472-I476 WeakPolarHBondContact O-CD1 3.32Å; I472-I476 VanDerWaalsContact O-CG1 3.25Å; I472-I476 WeakPolarHBondContact O-CG1 3.31Å; I472-I476 PolarHBondContact O-N 2.91Å; L473-I476 PolarHBondContact O-N 2.87Å; I476-A478 VanDerWaalsContact C-N 3.32Å; I476-A478 PolarHBondContact O-N 2.94Å; I476-D479 PolarHBondContact O-N 2.8Å; I476-E480 PolarHBondContact O-N 3.36Å |
| 477 | E | 78.6 | Confident | 72.8 | Confident | 140 Ų | 140 | 112.9 Ų | 112.9 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -40 | 176.7 | -175.8 | 173 | -157.9 | 0 | 0 | 111.5 | L473 E480 E481 | L473-E477 WeakPolarHBondContact O-CB 3.43Å; L473-E477 PolarHBondContact O-N 3.17Å; E477-E480 PolarHBondContact O-N 2.86Å; E477-E481 VanDerWaalsContact O-CB 3.32Å; E477-E481 WeakPolarHBondContact O-CB 3.46Å; E477-E481 PolarHBondContact O-N 3.28Å |
| 478 | A | 77.7 | Confident | 71.9 | Confident | 22 Ų | 22 | 119.8 Ų | 119.8 | 18% | 0.182 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -66.6 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A474 D475 I476 E481 K482 | A474-A478 WeakPolarHBondContact O-CB 3.36Å; A474-A478 PolarHBondContact O-N 3.05Å; D475-A478 PolarHBondContact O-N 3.34Å; I476-A478 VanDerWaalsContact C-N 3.32Å; I476-A478 PolarHBondContact O-N 2.94Å; A478-E481 PolarHBondContact O-N 2.91Å; A478-K482 VanDerWaalsContact O-CB 3.3Å; A478-K482 WeakPolarHBondContact O-CB 3.25Å; A478-K482 WeakPolarHBondContact O-CD 3.49Å; A478-K482 VanDerWaalsContact O-CG 3.22Å; A478-K482 WeakPolarHBondContact O-CG 3.32Å; A478-K482 PolarHBondContact O-N 3.03Å |
| 479 | D | 73.3 | Confident | 71.2 | Confident | 95 Ų | 95 | 117.2 Ų | 117.2 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.5 | -40.7 | 175.1 | -84.5 | -8.4 | 0 | 0 | 0 | 111.6 | D475 I476 E481 K482 L483 | D475-D479 PolarHBondContact O-N 3.43Å; I476-D479 PolarHBondContact O-N 2.8Å; D479-E481 VanDerWaalsContact C-N 3.27Å; D479-E481 PolarHBondContact O-N 3.39Å; D479-K482 PolarHBondContact O-N 3.13Å; D479-L483 HydrophobicContact CB-CD1 4.1Å; D479-L483 VanDerWaalsContact O-CB 3.31Å; D479-L483 WeakPolarHBondContact O-CB 3.3Å; D479-L483 WeakPolarHBondContact O-CG 3.44Å; D479-L483 PolarHBondContact O-N 2.83Å |
| 480 | E | 71.4 | Confident | 70.1 | Confident | 111 Ų | 111 | 116.4 Ų | 116.4 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -29.7 | 172 | -71.4 | -170 | 175.1 | 0 | 0 | 113.1 | I476 E477 | I476-E480 PolarHBondContact O-N 3.36Å; E477-E480 PolarHBondContact O-N 2.86Å |
| 481 | E | 67.6 | Low | 69.2 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 50% | 0.495 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.7 | -40.6 | 176.4 | 153.5 | 138.4 | -82.2 | 0 | 0 | 113.4 | E477 A478 D479 R495 | E477-E481 VanDerWaalsContact O-CB 3.32Å; E477-E481 WeakPolarHBondContact O-CB 3.46Å; E477-E481 PolarHBondContact O-N 3.28Å; A478-E481 PolarHBondContact O-N 2.91Å; D479-E481 VanDerWaalsContact C-N 3.27Å; D479-E481 PolarHBondContact O-N 3.39Å; E481-R495 PolarHBondContact O-NH2 2.99Å; E481-R495 IonicContact OE1-CZ 2.99Å; E481-R495 IonicContact OE1-NH1 2.92Å; E481-R495 PolarHBondContact OE1-NH1 3.44Å; E481-R495 IonicContact OE1-NH2 2.82Å; E481-R495 PolarHBondContact OE1-NH2 3.14Å |
| 482 | K | 69.8 | Low | 68 | Low | 152 Ų | 152 | 115 Ų | 115 | 66% | 0.661 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -95.7 | -31.8 | -169 | -68.4 | 168.9 | -172.1 | 166.7 | 0 | 114.3 | A478 D479 | A478-K482 VanDerWaalsContact O-CB 3.3Å; A478-K482 WeakPolarHBondContact O-CB 3.25Å; A478-K482 WeakPolarHBondContact O-CD 3.49Å; A478-K482 VanDerWaalsContact O-CG 3.22Å; A478-K482 WeakPolarHBondContact O-CG 3.32Å; A478-K482 PolarHBondContact O-N 3.03Å; D479-K482 PolarHBondContact O-N 3.13Å |
| 483 | L | 66.4 | Low | 66.9 | Low | 109 Ų | 109 | 114.8 Ų | 114.8 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 134.5 | -173.4 | -60 | 177 | 0 | 0 | 0 | 112 | D479 | D479-L483 HydrophobicContact CB-CD1 4.1Å; D479-L483 VanDerWaalsContact O-CB 3.31Å; D479-L483 WeakPolarHBondContact O-CB 3.3Å; D479-L483 WeakPolarHBondContact O-CG 3.44Å; D479-L483 PolarHBondContact O-N 2.83Å |
| 484 | K | 59.6 | Low | 65.7 | Low | 194 Ų | 194 | 116 Ų | 116 | 84% | 0.843 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 138.6 | 174.8 | -65.8 | -178.5 | -178.2 | 177 | 0 | 110 | T486 | K484-T486 PolarHBondContact O-N 3.11Š|
| 485 | E | 62.6 | Low | 64.3 | Low | 57 Ų | 57 | 119.5 Ų | 119.5 | 27% | 0.266 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 117.4 | -177.6 | -171.9 | 132 | -110.8 | 0 | 0 | 111.7 | R487 R494 | E485-R487 VanDerWaalsContact C-N 3.35Å; E485-R487 HydrophobicContact CG-CB 4.37Å; E485-R487 PolarHBondContact O-N 3.19Å; E485-R494 HydrophobicContact CB-CB 4.44Å; E485-R494 IonicContact OE1-CZ 2.61Å; E485-R494 IonicContact OE1-NE 3.21Å; E485-R494 PolarHBondContact OE1-NE 2.87Å; E485-R494 IonicContact OE1-NH2 2.65Å; E485-R494 PolarHBondContact OE1-NH2 3.37Å |
| 486 | T | 60 | Low | 62.8 | Low | 142 Ų | 142 | 124.7 Ų | 124.7 | 87% | 0.871 | 59% | 0.592 | S | S | * | * | trans | -89.7 | 10 | -173.7 | 5.4 | 0 | 0 | 0 | 0 | 114.5 | K484 | K484-T486 PolarHBondContact O-N 3.11Š| ||
| 487 | R | 62.9 | Low | 61.2 | Low | 113 Ų | 113 | 125.5 Ų | 125.5 | 43% | 0.426 | 61% | 0.605 | S | S | . | * | trans | -107.7 | 109.2 | -163.9 | -155.6 | 169.3 | 177 | 122.1 | -14.4 | 112.1 | H74 E485 | H74-R487 VanDerWaalsContact C-NH2 3.35Å; H74-R487 PolarHBondContact CD2-NH1 3.49Å; H74-R487 PolarHBondContact O-NH2 2.93Å; E485-R487 VanDerWaalsContact C-N 3.35Å; E485-R487 HydrophobicContact CG-CB 4.37Å; E485-R487 PolarHBondContact O-N 3.19Å | ||
| 488 | W | 45.8 | Very low | 59.7 | Low | 231 Ų | 231 | 123.6 Ų | 123.6 | 88% | 0.875 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 146.7 | 170.2 | -89.8 | 78.8 | 0 | 0 | 0 | 111.2 | ||
| 489 | P | 55.6 | Low | 58 | Low | 94 Ų | 94 | 129.1 Ų | 129.1 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -107.3 | 21.6 | 12.3 | 40.9 | -34.7 | 0 | 0 | 0 | 115.3 | ||
| 490 | Y | 52.7 | Low | 56.4 | Low | 172 Ų | 172 | 135.5 Ų | 135.5 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | trans | -117.9 | 117 | -178.3 | -62 | -73.3 | 0 | 0 | 0 | 112.2 | S492 | Y490-S492 PolarHBondContact O-N 3.41Å; Y490-S492 VanDerWaalsContact O-N 3.07Å | ||
| 491 | L | 58.1 | Low | 55.4 | Low | 173 Ų | 173 | 141.8 Ų | 141.8 | 91% | 0.906 | 67% | 0.672 | S | S | * | * | trans | -82.2 | 46.5 | 169.7 | -69.4 | 172.3 | 0 | 0 | 0 | 111.7 | ||||
| 492 | S | 57.3 | Low | 54.2 | Low | 60 Ų | 60 | 139.7 Ų | 139.7 | 42% | 0.42 | 67% | 0.673 | S | S | . | * | trans | -89.7 | 136.3 | 172 | 46.2 | 0 | 0 | 0 | 0 | 110.3 | Y490 | Y490-S492 PolarHBondContact O-N 3.41Å; Y490-S492 VanDerWaalsContact O-N 3.07Å | ||
| 493 | P | 56.6 | Low | 53 | Low | 100 Ų | 100 | 136.3 Ų | 136.3 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | trans | -58.3 | 139.8 | 163.7 | -20.9 | 33 | 0 | 0 | 0 | 110.1 | R495 | P493-R495 PolarHBondContact O-N 3.44Š| ||
| 494 | R | 58.2 | Low | 52.1 | Low | 140 Ų | 140 | 136.7 Ų | 136.7 | 53% | 0.528 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -60 | -17.8 | -177.5 | -176.2 | 173.3 | -76 | -177.9 | -1.6 | 113.9 | E485 K496 | E485-R494 HydrophobicContact CB-CB 4.44Å; E485-R494 IonicContact OE1-CZ 2.61Å; E485-R494 IonicContact OE1-NE 3.21Å; E485-R494 PolarHBondContact OE1-NE 2.87Å; E485-R494 IonicContact OE1-NH2 2.65Å; E485-R494 PolarHBondContact OE1-NH2 3.37Å; R494-K496 PolarHBondContact O-N 3.43Å |
| 495 | R | 54.8 | Low | 51.6 | Low | 123 Ų | 123 | 136.5 Ų | 136.5 | 46% | 0.464 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -55.4 | 127.5 | 172.9 | -60.1 | -167.9 | -166.8 | -120.3 | 11.1 | 110.6 | E481 P493 S497 | E481-R495 PolarHBondContact O-NH2 2.99Å; E481-R495 IonicContact OE1-CZ 2.99Å; E481-R495 IonicContact OE1-NH1 2.92Å; E481-R495 PolarHBondContact OE1-NH1 3.44Å; E481-R495 IonicContact OE1-NH2 2.82Å; E481-R495 PolarHBondContact OE1-NH2 3.14Å; P493-R495 PolarHBondContact O-N 3.44Å; R495-S497 PolarHBondContact O-N 2.97Å |
| 496 | K | 51.6 | Low | 51 | Low | 198 Ų | 198 | 138.9 Ų | 138.9 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 116.8 | 141.8 | -64.3 | -78.2 | -177 | 173.9 | 0 | 105.2 | R494 P498 | R494-K496 PolarHBondContact O-N 3.43Å; K496-P498 WeakPolarHBondContact O-CD 3.41Å |
| 497 | S | 45.7 | Very low | 50.7 | Low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 121.3 | 170.1 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | R495 V499 | R495-S497 PolarHBondContact O-N 2.97Å; S497-V499 PolarHBondContact O-N 3.29Å |
| 498 | P | 46.2 | Very low | 49.9 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 132.4 | 160.2 | -16.4 | 30 | 0 | 0 | 0 | 104.4 | K496 R500 | K496-P498 WeakPolarHBondContact O-CD 3.41Å; P498-R500 PolarHBondContact O-N 3.31Å |
| 499 | V | 42.1 | Very low | 50 | Low | 137 Ų | 137 | 130.4 Ų | 130.4 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | trans | -46 | 114.7 | 166.5 | 170.8 | 0 | 0 | 0 | 0 | 105.2 | S497 R501 | S497-V499 PolarHBondContact O-N 3.29Å; V499-R501 PolarHBondContact O-N 3.48Å | ||
| 500 | R | 40.4 | Very low | 49.9 | Very low | 230 Ų | 230 | 133.1 Ų | 133.1 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | trans | -63.1 | 90 | -175.9 | -106.6 | -169.7 | 177.8 | -165.1 | 2.2 | 106.9 | P498 A502 | P498-R500 PolarHBondContact O-N 3.31Å; R500-A502 PolarHBondContact O-N 2.82Å | ||
| 501 | R | 49.2 | Very low | 50.3 | Low | 242 Ų | 242 | 134.2 Ų | 134.2 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | trans | -64.7 | 86.8 | 139.8 | -72.2 | -152.4 | -78.8 | -152.6 | -1.9 | 104.3 | V499 G503 | V499-R501 PolarHBondContact O-N 3.48Å; R501-G503 VanDerWaalsContact C-N 3.28Å; R501-G503 PolarHBondContact O-N 3.43Å | ||
| 502 | A | 43.3 | Very low | 50.7 | Low | 62 Ų | 62 | 130.9 Ų | 130.9 | 51% | 0.512 | 70% | 0.703 | S | S | . | * | trans | -59.6 | 99.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | R500 V504 | R500-A502 PolarHBondContact O-N 2.82Å; A502-V504 PolarHBondContact O-N 3.09Å; A502-V504 VanDerWaalsContact O-N 3.17Å; A502-V504 VanDerWaalsContact O-O 3.06Å | ||
| 503 | G | 45.1 | Very low | 51.3 | Low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | -72.3 | 8.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R501 K505 | R501-G503 VanDerWaalsContact C-N 3.28Å; R501-G503 PolarHBondContact O-N 3.43Å; G503-K505 PolarHBondContact O-N 3.05Å | ||
| 504 | V | 47.4 | Very low | 51.9 | Low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -70.8 | 109.4 | 153.2 | -177 | 0 | 0 | 0 | 0 | 105 | A502 P506 | A502-V504 PolarHBondContact O-N 3.09Å; A502-V504 VanDerWaalsContact O-N 3.17Å; A502-V504 VanDerWaalsContact O-O 3.06Å; V504-P506 WeakPolarHBondContact O-CD 3.35Å |
| 505 | K | 49 | Very low | 52.8 | Low | 189 Ų | 189 | 133.2 Ų | 133.2 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 116.3 | 166.2 | -69.1 | 179.7 | -179.6 | 178.8 | 0 | 106.5 | G503 V507 | G503-K505 PolarHBondContact O-N 3.05Å; K505-V507 PolarHBondContact O-N 3.25Å |
| 506 | P | 48.8 | Very low | 53.8 | Low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132.6 | 163.9 | -15.5 | 29.6 | 0 | 0 | 0 | 105.2 | V504 | V504-P506 WeakPolarHBondContact O-CD 3.35Š|
| 507 | V | 54.7 | Low | 55.4 | Low | 122 Ų | 122 | 125.6 Ų | 125.6 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 128.2 | 152 | 172.6 | 0 | 0 | 0 | 0 | 105.1 | K505 C509 | K505-V507 PolarHBondContact O-N 3.25Å; V507-C509 PolarHBondContact O-N 2.92Å |
| 508 | P | 45 | Very low | 57.4 | Low | 103 Ų | 103 | 126.7 Ų | 126.7 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | trans | -67.4 | 83.5 | -178.5 | 26.9 | -33.7 | 0 | 0 | 0 | 108.8 | N510 | P508-N510 VanDerWaalsContact C-N 3.33Å; P508-N510 PolarHBondContact O-N 2.86Å | ||
| 509 | C | 47.9 | Very low | 59.4 | Low | 83 Ų | 83 | 125.8 Ų | 125.8 | 56% | 0.561 | 72% | 0.715 | S | S | * | * | trans | -61.2 | 103.7 | 158.2 | -87.5 | 0 | 0 | 0 | 0 | 105.7 | V507 Y511 | V507-C509 PolarHBondContact O-N 2.92Å; C509-Y511 HydrophobicContact CB-CD2 3.52Å; C509-Y511 HydrophobicContact CB-CE2 3.95Å; C509-Y511 HydrophobicContact CB-CG 4.28Å; C509-Y511 PolarHBondContact O-N 2.95Å; C509-Y511 VanDerWaalsContact SG-CE2 3.57Å | ||
| 510 | N | 53.6 | Low | 61.6 | Low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | trans | -69.5 | 38.3 | 170.8 | -62.5 | -42.1 | 0 | 0 | 0 | 111.2 | P508 S512 | P508-N510 VanDerWaalsContact C-N 3.33Å; P508-N510 PolarHBondContact O-N 2.86Å; N510-S512 PolarHBondContact O-N 3.18Å | ||
| 511 | Y | 60.4 | Low | 63.7 | Low | 195 Ų | 195 | 115.9 Ų | 115.9 | 77% | 0.765 | 67% | 0.668 | S | S | * | * | trans | -86.9 | 106.1 | 171 | -61.6 | -45 | 0 | 0 | 0 | 107.5 | C509 | C509-Y511 HydrophobicContact CB-CD2 3.52Å; C509-Y511 HydrophobicContact CB-CE2 3.95Å; C509-Y511 HydrophobicContact CB-CG 4.28Å; C509-Y511 PolarHBondContact O-N 2.95Å; C509-Y511 VanDerWaalsContact SG-CE2 3.57Å | ||
| 512 | S | 66.8 | Low | 65.7 | Low | 103 Ų | 103 | 106 Ų | 106 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | trans | -44.2 | 135.8 | 164.3 | -57 | 0 | 0 | 0 | 0 | 109.6 | N510 | N510-S512 PolarHBondContact O-N 3.18Š| ||
| 513 | P | 69.9 | Low | 68 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 134.7 | 175.6 | -27 | 34.3 | 0 | 0 | 0 | 110.1 | V515 | P513-V515 PolarHBondContact O-N 3.15Å; P513-V515 VanDerWaalsContact O-N 3.1Å |
| 514 | P | 70.3 | Confident | 70.1 | Confident | 124 Ų | 124 | 110.3 Ų | 110.3 | 81% | 0.805 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.5 | -174.4 | 21.7 | -33 | 0 | 0 | 0 | 109.1 | P516 | P514-P516 WeakPolarHBondContact O-CD 3.45Š|
| 515 | V | 76.3 | Confident | 72.2 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 68% | 0.679 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.4 | -171 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | P513 T517 | P513-V515 PolarHBondContact O-N 3.15Å; P513-V515 VanDerWaalsContact O-N 3.1Å; V515-T517 PolarHBondContact O-N 3.08Å |
| 516 | P | 76.4 | Confident | 74.2 | Confident | 54 Ų | 54 | 103.3 Ų | 103.3 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 119.8 | -171.3 | 20.1 | -30.7 | 0 | 0 | 0 | 109 | P514 R521 | P514-P516 WeakPolarHBondContact O-CD 3.45Å; P516-R521 HydrophobicContact CB-CG 4.08Å; P516-R521 HydrophobicContact CG-CG 4.11Å; P516-R521 WeakPolarHBondContact O-CG 3.41Å; P516-R521 PolarHBondContact O-NE 3.44Å |
| 517 | T | 85.4 | Confident | 76.4 | Confident | 106 Ų | 106 | 102.8 Ų | 102.8 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 151.2 | 178.5 | -39.2 | 0 | 0 | 0 | 0 | 109.8 | V515 S519 S520 R521 | V515-T517 PolarHBondContact O-N 3.08Å; T517-S519 PolarHBondContact O-N 3.25Å; T517-S520 WeakPolarHBondContact O-CA 3.44Å; T517-S520 WeakPolarHBondContact O-CB 3.32Å; T517-S520 PolarHBondContact O-N 3.2Å; T517-R521 PolarHBondContact O-N 3.29Å |
| 518 | V | 86.3 | Confident | 78.3 | Confident | 128 Ų | 128 | 103 Ų | 103 | 78% | 0.776 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -49.4 | -40.2 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | S520 R521 G522 | V518-S520 PolarHBondContact O-N 3.19Å; V518-R521 PolarHBondContact O-N 2.86Å; V518-G522 PolarHBondContact O-N 3.02Å |
| 519 | S | 88.8 | Confident | 80.6 | Confident | 81 Ų | 81 | 105.5 Ų | 105.5 | 57% | 0.566 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.9 | -41 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 113.7 | T517 G522 R523 | T517-S519 PolarHBondContact O-N 3.25Å; S519-G522 PolarHBondContact O-N 3.24Å; S519-R523 WeakPolarHBondContact O-CG 3.15Å; S519-R523 PolarHBondContact O-N 3.18Å |
| 520 | S | 87.8 | Confident | 82.8 | Confident | 33 Ų | 33 | 103.7 Ų | 103.7 | 23% | 0.231 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -66.5 | -44.5 | 176.4 | -153.5 | 0 | 0 | 0 | 0 | 111.5 | T517 V518 G522 R523 E524 | T517-S520 WeakPolarHBondContact O-CA 3.44Å; T517-S520 WeakPolarHBondContact O-CB 3.32Å; T517-S520 PolarHBondContact O-N 3.2Å; V518-S520 PolarHBondContact O-N 3.19Å; S520-G522 VanDerWaalsContact C-N 3.32Å; S520-G522 PolarHBondContact O-N 3.01Å; S520-R523 PolarHBondContact O-N 2.91Å; S520-E524 WeakPolarHBondContact O-CG 3.41Å; S520-E524 PolarHBondContact O-N 3.02Å |
| 521 | R | 86.4 | Confident | 84.7 | Confident | 126 Ų | 126 | 100.7 Ų | 100.7 | 48% | 0.475 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 175 | -62.5 | -175.4 | -175.6 | -144.3 | -2.7 | 111.7 | P516 T517 V518 E524 Q525 | P516-R521 HydrophobicContact CB-CG 4.08Å; P516-R521 HydrophobicContact CG-CG 4.11Å; P516-R521 WeakPolarHBondContact O-CG 3.41Å; P516-R521 PolarHBondContact O-NE 3.44Å; T517-R521 PolarHBondContact O-N 3.29Å; V518-R521 PolarHBondContact O-N 2.86Å; R521-E524 PolarHBondContact O-N 3.26Å; R521-Q525 WeakPolarHBondContact O-CB 3.41Å; R521-Q525 WeakPolarHBondContact O-CG 3.48Å; R521-Q525 PolarHBondContact O-N 3.48Å |
| 522 | G | 91.2 | Very high | 86.3 | Confident | 35 Ų | 35 | 96.5 Ų | 96.5 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | V518 S519 S520 Q525 A526 | V518-G522 PolarHBondContact O-N 3.02Å; S519-G522 PolarHBondContact O-N 3.24Å; S520-G522 VanDerWaalsContact C-N 3.32Å; S520-G522 PolarHBondContact O-N 3.01Å; G522-Q525 PolarHBondContact O-N 2.86Å; G522-A526 WeakPolarHBondContact O-CB 3.27Å; G522-A526 PolarHBondContact O-N 3.44Å |
| 523 | R | 91.1 | Very high | 87.6 | Confident | 161 Ų | 161 | 97.2 Ų | 97.2 | 61% | 0.608 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 174.3 | -71.2 | -177.6 | -56.6 | -175.7 | 5.8 | 112 | S519 S520 A526 V527 | S519-R523 WeakPolarHBondContact O-CG 3.15Å; S519-R523 PolarHBondContact O-N 3.18Å; S520-R523 PolarHBondContact O-N 2.91Å; R523-A526 PolarHBondContact O-N 2.84Å; R523-V527 WeakPolarHBondContact O-CG2 3.46Å; R523-V527 PolarHBondContact O-N 3.35Å |
| 524 | E | 88.6 | Confident | 88.6 | Confident | 72 Ų | 72 | 98.4 Ų | 98.4 | 34% | 0.336 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 177 | -68.4 | 173.2 | -141.5 | 0 | 0 | 112.5 | S520 R521 A526 V527 R528 | S520-E524 WeakPolarHBondContact O-CG 3.41Å; S520-E524 PolarHBondContact O-N 3.02Å; R521-E524 PolarHBondContact O-N 3.26Å; E524-A526 VanDerWaalsContact C-N 3.35Å; E524-V527 PolarHBondContact O-N 3.35Å; E524-R528 VanDerWaalsContact CB-NH1 3.28Å; E524-R528 WeakPolarHBondContact O-CG 3.48Å; E524-R528 PolarHBondContact O-N 2.94Å; E524-R528 IonicContact OE2-CZ 2.79Å; E524-R528 IonicContact OE2-NH1 2.65Å; E524-R528 PolarHBondContact OE2-NH1 3.36Å; E524-R528 VanDerWaalsContact OE2-NH1 3.1Å; E524-R528 IonicContact OE2-NH2 2.79Å; E524-R528 PolarHBondContact OE2-NH2 3.14Å |
| 525 | Q | 91 | Very high | 89.8 | Confident | 102 Ų | 102 | 98.1 Ų | 98.1 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.9 | -75.6 | 177.2 | -6.4 | 0 | 0 | 111.7 | R521 G522 R528 R529 | R521-Q525 WeakPolarHBondContact O-CB 3.41Å; R521-Q525 WeakPolarHBondContact O-CG 3.48Å; R521-Q525 PolarHBondContact O-N 3.48Å; G522-Q525 PolarHBondContact O-N 2.86Å; Q525-R528 PolarHBondContact O-N 3.12Å; Q525-R529 WeakPolarHBondContact O-CG 3.44Å; Q525-R529 PolarHBondContact O-N 3.1Å |
| 526 | A | 92.7 | Very high | 90.6 | Very high | 57 Ų | 57 | 97.5 Ų | 97.5 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G522 R523 E524 S530 | G522-A526 WeakPolarHBondContact O-CB 3.27Å; G522-A526 PolarHBondContact O-N 3.44Å; R523-A526 PolarHBondContact O-N 2.84Å; E524-A526 VanDerWaalsContact C-N 3.35Å; A526-S530 VanDerWaalsContact O-CB 3.31Å; A526-S530 WeakPolarHBondContact O-CB 3.38Å; A526-S530 PolarHBondContact O-N 2.9Å |
| 527 | V | 94.2 | Very high | 91.4 | Very high | 97 Ų | 97 | 99.1 Ų | 99.1 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 174.5 | 170 | 0 | 0 | 0 | 0 | 111.7 | R523 E524 S530 L531 | R523-V527 WeakPolarHBondContact O-CG2 3.46Å; R523-V527 PolarHBondContact O-N 3.35Å; E524-V527 PolarHBondContact O-N 3.35Å; V527-S530 PolarHBondContact O-N 3.46Å; V527-L531 WeakPolarHBondContact O-CB 3.34Å; V527-L531 PolarHBondContact O-N 2.88Å |
| 528 | R | 93.5 | Very high | 91.8 | Very high | 127 Ų | 127 | 99.6 Ų | 99.6 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -51.9 | 175.6 | -72.3 | 175.9 | -172.4 | 106.3 | 8.6 | 111 | E524 Q525 S530 L531 E532 | E524-R528 VanDerWaalsContact CB-NH1 3.28Å; E524-R528 WeakPolarHBondContact O-CG 3.48Å; E524-R528 PolarHBondContact O-N 2.94Å; E524-R528 IonicContact OE2-CZ 2.79Å; E524-R528 IonicContact OE2-NH1 2.65Å; E524-R528 PolarHBondContact OE2-NH1 3.36Å; E524-R528 VanDerWaalsContact OE2-NH1 3.1Å; E524-R528 IonicContact OE2-NH2 2.79Å; E524-R528 PolarHBondContact OE2-NH2 3.14Å; Q525-R528 PolarHBondContact O-N 3.12Å; R528-S530 PolarHBondContact O-N 3.15Å; R528-L531 WeakPolarHBondContact O-CB 3.38Å; R528-L531 PolarHBondContact O-N 3.49Å; R528-E532 WeakPolarHBondContact O-CG 3.27Å; R528-E532 PolarHBondContact O-N 3.48Å |
| 529 | R | 93.7 | Very high | 92.2 | Very high | 155 Ų | 155 | 97.5 Ų | 97.5 | 59% | 0.585 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57 | -46.2 | 175.6 | -70.8 | 176 | -175.4 | 166 | 1.9 | 112.6 | Q525 L531 E532 E533 | Q525-R529 WeakPolarHBondContact O-CG 3.44Å; Q525-R529 PolarHBondContact O-N 3.1Å; R529-L531 PolarHBondContact O-N 2.95Å; R529-E532 PolarHBondContact O-N 3.25Å; R529-E533 WeakPolarHBondContact O-CB 3.26Å; R529-E533 VanDerWaalsContact O-CG 3.31Å; R529-E533 WeakPolarHBondContact O-CG 3.38Å; R529-E533 PolarHBondContact O-N 3.43Å |
| 530 | S | 94.6 | Very high | 92.5 | Very high | 46 Ų | 46 | 98.3 Ų | 98.3 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -27.5 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 113.4 | A526 V527 R528 K534 | A526-S530 VanDerWaalsContact O-CB 3.31Å; A526-S530 WeakPolarHBondContact O-CB 3.38Å; A526-S530 PolarHBondContact O-N 2.9Å; V527-S530 PolarHBondContact O-N 3.46Å; R528-S530 PolarHBondContact O-N 3.15Å; S530-K534 WeakPolarHBondContact O-CD 3.42Å; S530-K534 VanDerWaalsContact O-CG 3.23Å; S530-K534 WeakPolarHBondContact O-CG 3.3Å; S530-K534 PolarHBondContact O-N 2.89Å |
| 531 | L | 93.7 | Very high | 92.8 | Very high | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77 | -40.9 | 174.7 | -165.6 | 159.5 | 0 | 0 | 0 | 110.9 | V527 R528 R529 K534 K535 | V527-L531 WeakPolarHBondContact O-CB 3.34Å; V527-L531 PolarHBondContact O-N 2.88Å; R528-L531 WeakPolarHBondContact O-CB 3.38Å; R528-L531 PolarHBondContact O-N 3.49Å; R529-L531 PolarHBondContact O-N 2.95Å; L531-K534 PolarHBondContact O-N 3.28Å; L531-K535 HydrophobicContact CD2-CD 3.93Å; L531-K535 HydrophobicContact CD2-CG 4.28Å; L531-K535 WeakPolarHBondContact O-CG 3.5Å; L531-K535 PolarHBondContact O-N 2.88Å |
| 532 | E | 93.6 | Very high | 93.2 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 172.9 | -70.8 | 152.4 | -161.8 | 0 | 0 | 111.5 | R528 R529 K534 K535 M536 | R528-E532 WeakPolarHBondContact O-CG 3.27Å; R528-E532 PolarHBondContact O-N 3.48Å; R529-E532 PolarHBondContact O-N 3.25Å; E532-K534 VanDerWaalsContact C-N 3.31Å; E532-K534 PolarHBondContact O-N 3.14Å; E532-K535 WeakPolarHBondContact O-CB 3.36Å; E532-K535 PolarHBondContact O-N 2.89Å; E532-K535 VanDerWaalsContact O-N 3.1Å; E532-M536 WeakPolarHBondContact O-CG 3.49Å; E532-M536 PolarHBondContact O-N 3.01Å |
| 533 | E | 93.8 | Very high | 93.4 | Very high | 117 Ų | 117 | 107.7 Ų | 107.7 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -54.9 | -43.6 | 173.3 | -73.8 | 165.5 | -165.5 | 0 | 0 | 112.2 | R529 M536 L537 | R529-E533 WeakPolarHBondContact O-CB 3.26Å; R529-E533 VanDerWaalsContact O-CG 3.31Å; R529-E533 WeakPolarHBondContact O-CG 3.38Å; R529-E533 PolarHBondContact O-N 3.43Å; E533-M536 PolarHBondContact O-N 3.35Å; E533-L537 VanDerWaalsContact O-CG 3.32Å; E533-L537 WeakPolarHBondContact O-CG 3.32Å; E533-L537 PolarHBondContact O-N 3.02Å |
| 534 | K | 92.6 | Very high | 93.7 | Very high | 138 Ų | 138 | 104.5 Ų | 104.5 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 176.6 | -78.1 | 170 | -175.3 | 172.6 | 0 | 112.4 | S530 L531 E532 L537 E538 | S530-K534 WeakPolarHBondContact O-CD 3.42Å; S530-K534 VanDerWaalsContact O-CG 3.23Å; S530-K534 WeakPolarHBondContact O-CG 3.3Å; S530-K534 PolarHBondContact O-N 2.89Å; L531-K534 PolarHBondContact O-N 3.28Å; E532-K534 VanDerWaalsContact C-N 3.31Å; E532-K534 PolarHBondContact O-N 3.14Å; K534-L537 PolarHBondContact O-N 3.07Å; K534-E538 WeakPolarHBondContact O-CB 3.29Å; K534-E538 PolarHBondContact O-N 2.91Å |
| 535 | K | 94.2 | Very high | 94 | Very high | 119 Ų | 119 | 104.9 Ų | 104.9 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.1 | -76.2 | 177 | 169.8 | -179.9 | 0 | 111.3 | L531 E532 L537 E538 E539 | L531-K535 HydrophobicContact CD2-CD 3.93Å; L531-K535 HydrophobicContact CD2-CG 4.28Å; L531-K535 WeakPolarHBondContact O-CG 3.5Å; L531-K535 PolarHBondContact O-N 2.88Å; E532-K535 WeakPolarHBondContact O-CB 3.36Å; E532-K535 PolarHBondContact O-N 2.89Å; E532-K535 VanDerWaalsContact O-N 3.1Å; K535-L537 VanDerWaalsContact C-N 3.35Å; K535-L537 PolarHBondContact O-N 3.27Å; K535-E538 PolarHBondContact O-N 3.42Å; K535-E538 VanDerWaalsContact O-N 3.11Å; K535-E539 WeakPolarHBondContact O-CG 3.39Å; K535-E539 PolarHBondContact O-N 2.88Å |
| 536 | M | 92.9 | Very high | 94.3 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 177.1 | -65.8 | -56.7 | -63.2 | 0 | 0 | 111.5 | E532 E533 E538 E539 E540 | E532-M536 WeakPolarHBondContact O-CG 3.49Å; E532-M536 PolarHBondContact O-N 3.01Å; E533-M536 PolarHBondContact O-N 3.35Å; M536-E538 VanDerWaalsContact C-N 3.31Å; M536-E538 PolarHBondContact O-N 3.44Å; M536-E539 PolarHBondContact O-N 2.93Å; M536-E540 WeakPolarHBondContact O-CG 3.19Å; M536-E540 PolarHBondContact O-N 3.24Å |
| 537 | L | 92.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 106.9 Ų | 106.9 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -31.1 | 176.5 | -69.5 | 171.2 | 0 | 0 | 0 | 113.2 | E533 K534 K535 R541 | E533-L537 VanDerWaalsContact O-CG 3.32Å; E533-L537 WeakPolarHBondContact O-CG 3.32Å; E533-L537 PolarHBondContact O-N 3.02Å; K534-L537 PolarHBondContact O-N 3.07Å; K535-L537 VanDerWaalsContact C-N 3.35Å; K535-L537 PolarHBondContact O-N 3.27Å; L537-R541 WeakPolarHBondContact O-CD 3.29Å; L537-R541 WeakPolarHBondContact O-CG 3.45Å; L537-R541 PolarHBondContact O-N 3.38Å; L537-R541 VanDerWaalsContact O-N 3.12Å |
| 538 | E | 94 | Very high | 94.5 | Very high | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.7 | -41 | 174.6 | -174.4 | 168.3 | -169.3 | 0 | 0 | 111.7 | K534 K535 M536 R541 N542 | K534-E538 WeakPolarHBondContact O-CB 3.29Å; K534-E538 PolarHBondContact O-N 2.91Å; K535-E538 PolarHBondContact O-N 3.42Å; K535-E538 VanDerWaalsContact O-N 3.11Å; M536-E538 VanDerWaalsContact C-N 3.31Å; M536-E538 PolarHBondContact O-N 3.44Å; E538-R541 PolarHBondContact O-N 3.49Å; E538-N542 WeakPolarHBondContact O-CB 3.44Å; E538-N542 VanDerWaalsContact O-CG 3.29Å; E538-N542 PolarHBondContact O-N 3.24Å; E538-N542 PolarHBondContact O-ND2 3.17Å; E538-N542 VanDerWaalsContact O-ND2 3.15Å |
| 539 | E | 95.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 107.4 Ų | 107.4 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 171.1 | -74.9 | -176.3 | -149 | 0 | 0 | 112.1 | K535 M536 R541 N542 R543 | K535-E539 WeakPolarHBondContact O-CG 3.39Å; K535-E539 PolarHBondContact O-N 2.88Å; M536-E539 PolarHBondContact O-N 2.93Å; E539-R541 PolarHBondContact O-N 2.93Å; E539-N542 CarbonylContact O-C 3.24Å; E539-N542 PolarHBondContact O-N 3.21Å; E539-R543 WeakPolarHBondContact O-CB 3.33Å; E539-R543 VanDerWaalsContact O-CG 3.25Å; E539-R543 WeakPolarHBondContact O-CG 3.46Å; E539-R543 PolarHBondContact O-N 2.84Å; E539-R543 IonicContact OE2-NH2 2.75Å; E539-R543 PolarHBondContact OE2-NH2 3.07Å; E539-R543 VanDerWaalsContact OE2-NH2 3.13Å |
| 540 | E | 94.9 | Very high | 94.8 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.6 | -76.8 | 175.5 | -175.9 | 0 | 0 | 111.9 | M536 N542 R543 I544 | M536-E540 WeakPolarHBondContact O-CG 3.19Å; M536-E540 PolarHBondContact O-N 3.24Å; E540-N542 VanDerWaalsContact C-N 3.31Å; E540-N542 PolarHBondContact O-N 2.8Å; E540-R543 PolarHBondContact O-N 2.91Å; E540-I544 VanDerWaalsContact O-CG1 3.3Å; E540-I544 WeakPolarHBondContact O-CG1 3.28Å; E540-I544 PolarHBondContact O-N 2.96Å |
| 541 | R | 93.3 | Very high | 94.9 | Very high | 168 Ų | 168 | 111.7 Ų | 111.7 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.7 | -44 | 173.4 | -73.3 | 164.8 | -175.3 | -176.6 | 2.2 | 111.3 | L537 E538 E539 I544 L545 | L537-R541 WeakPolarHBondContact O-CD 3.29Å; L537-R541 WeakPolarHBondContact O-CG 3.45Å; L537-R541 PolarHBondContact O-N 3.38Å; L537-R541 VanDerWaalsContact O-N 3.12Å; E538-R541 PolarHBondContact O-N 3.49Å; E539-R541 PolarHBondContact O-N 2.93Å; R541-I544 PolarHBondContact O-N 3.47Å; R541-L545 WeakPolarHBondContact O-CB 3.45Å; R541-L545 VanDerWaalsContact O-CG 3.29Å; R541-L545 WeakPolarHBondContact O-CG 3.35Å; R541-L545 PolarHBondContact O-N 3.3Å |
| 542 | N | 95.7 | Very high | 95 | Very high | 85 Ų | 85 | 113.4 Ų | 113.4 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 177 | -73.6 | -34.6 | 0 | 0 | 0 | 111.9 | E538 E539 E540 I544 L545 T546 | E538-N542 WeakPolarHBondContact O-CB 3.44Å; E538-N542 VanDerWaalsContact O-CG 3.29Å; E538-N542 PolarHBondContact O-N 3.24Å; E538-N542 PolarHBondContact O-ND2 3.17Å; E538-N542 VanDerWaalsContact O-ND2 3.15Å; E539-N542 CarbonylContact O-C 3.24Å; E539-N542 PolarHBondContact O-N 3.21Å; E540-N542 VanDerWaalsContact C-N 3.31Å; E540-N542 PolarHBondContact O-N 2.8Å; N542-I544 VanDerWaalsContact C-N 3.35Å; N542-I544 PolarHBondContact O-N 3.22Å; N542-L545 PolarHBondContact O-N 3.41Å; N542-T546 WeakPolarHBondContact O-CG2 3.47Å; N542-T546 PolarHBondContact O-N 2.75Å; N542-T546 PolarHBondContact O-OG1 3.28Å |
| 543 | R | 96.3 | Very high | 95.2 | Very high | 139 Ų | 139 | 114.5 Ų | 114.5 | 53% | 0.525 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -37 | 173.3 | -68.7 | 170.3 | -164 | -161.5 | 7.9 | 112.2 | E539 E540 T546 K547 | E539-R543 WeakPolarHBondContact O-CB 3.33Å; E539-R543 VanDerWaalsContact O-CG 3.25Å; E539-R543 WeakPolarHBondContact O-CG 3.46Å; E539-R543 PolarHBondContact O-N 2.84Å; E539-R543 IonicContact OE2-NH2 2.75Å; E539-R543 PolarHBondContact OE2-NH2 3.07Å; E539-R543 VanDerWaalsContact OE2-NH2 3.13Å; E540-R543 PolarHBondContact O-N 2.91Å; R543-T546 WeakPolarHBondContact CA-OG1 3.48Å; R543-T546 PolarHBondContact O-OG1 2.89Å; R543-K547 WeakPolarHBondContact O-CB 3.44Å; R543-K547 VanDerWaalsContact O-CG 3.28Å; R543-K547 WeakPolarHBondContact O-CG 3.49Å; R543-K547 PolarHBondContact O-N 2.67Å; R543-K547 VanDerWaalsContact O-N 3.14Å |
| 544 | I | 96.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 114 Ų | 114 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 174.3 | -68.4 | 163.3 | 0 | 0 | 0 | 110.4 | E540 R541 N542 T546 K547 Q548 | E540-I544 VanDerWaalsContact O-CG1 3.3Å; E540-I544 WeakPolarHBondContact O-CG1 3.28Å; E540-I544 PolarHBondContact O-N 2.96Å; R541-I544 PolarHBondContact O-N 3.47Å; N542-I544 VanDerWaalsContact C-N 3.35Å; N542-I544 PolarHBondContact O-N 3.22Å; I544-T546 PolarHBondContact O-N 3.09Å; I544-K547 PolarHBondContact O-N 3.39Å; I544-Q548 HydrophobicContact CG2-CG 4.49Å; I544-Q548 WeakPolarHBondContact O-CB 3.5Å; I544-Q548 WeakPolarHBondContact O-CG 3.35Å; I544-Q548 PolarHBondContact O-N 2.9Å |
| 545 | L | 95.8 | Very high | 95.6 | Very high | 79 Ų | 79 | 112.3 Ų | 112.3 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 177.8 | -72.4 | 170.6 | 0 | 0 | 0 | 112.6 | R541 N542 K549 | R541-L545 WeakPolarHBondContact O-CB 3.45Å; R541-L545 VanDerWaalsContact O-CG 3.29Å; R541-L545 WeakPolarHBondContact O-CG 3.35Å; R541-L545 PolarHBondContact O-N 3.3Å; N542-L545 PolarHBondContact O-N 3.41Å; L545-K549 WeakPolarHBondContact O-CB 3.43Å; L545-K549 VanDerWaalsContact O-CG 3.27Å; L545-K549 WeakPolarHBondContact O-CG 3.5Å; L545-K549 PolarHBondContact O-N 2.86Å |
| 546 | T | 96.1 | Very high | 95.7 | Very high | 74 Ų | 74 | 112.6 Ų | 112.6 | 45% | 0.454 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 174.5 | 54 | 0 | 0 | 0 | 0 | 111.5 | N542 R543 I544 Q548 K549 Q550 | N542-T546 WeakPolarHBondContact O-CG2 3.47Å; N542-T546 PolarHBondContact O-N 2.75Å; N542-T546 PolarHBondContact O-OG1 3.28Å; R543-T546 WeakPolarHBondContact CA-OG1 3.48Å; R543-T546 PolarHBondContact O-OG1 2.89Å; I544-T546 PolarHBondContact O-N 3.09Å; T546-Q548 VanDerWaalsContact C-N 3.34Å; T546-Q548 PolarHBondContact O-N 2.94Å; T546-K549 PolarHBondContact O-N 3.12Å; T546-Q550 WeakPolarHBondContact O-CG 3.38Å; T546-Q550 PolarHBondContact O-N 2.8Å |
| 547 | K | 97 | Very high | 95.8 | Very high | 128 Ų | 128 | 114.8 Ų | 114.8 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59 | -41.7 | 172.8 | -74.1 | 176.7 | 179.2 | -173.8 | 0 | 112.3 | R543 I544 Q550 R551 | R543-K547 WeakPolarHBondContact O-CB 3.44Å; R543-K547 VanDerWaalsContact O-CG 3.28Å; R543-K547 WeakPolarHBondContact O-CG 3.49Å; R543-K547 PolarHBondContact O-N 2.67Å; R543-K547 VanDerWaalsContact O-N 3.14Å; I544-K547 PolarHBondContact O-N 3.39Å; K547-Q550 PolarHBondContact O-N 3.3Å; K547-R551 WeakPolarHBondContact O-CG 3.34Å; K547-R551 PolarHBondContact O-N 3.18Å |
| 548 | Q | 95.1 | Very high | 96 | Very high | 110 Ų | 110 | 116.2 Ų | 116.2 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 173.7 | -74.6 | 177.2 | -0.9 | 0 | 0 | 112.1 | I544 T546 Q550 R551 M552 | I544-Q548 HydrophobicContact CG2-CG 4.49Å; I544-Q548 WeakPolarHBondContact O-CB 3.5Å; I544-Q548 WeakPolarHBondContact O-CG 3.35Å; I544-Q548 PolarHBondContact O-N 2.9Å; T546-Q548 VanDerWaalsContact C-N 3.34Å; T546-Q548 PolarHBondContact O-N 2.94Å; Q548-Q550 VanDerWaalsContact C-N 3.32Å; Q548-Q550 PolarHBondContact O-N 3.43Å; Q548-R551 PolarHBondContact O-N 3.49Å; Q548-M552 WeakPolarHBondContact O-CB 3.25Å; Q548-M552 PolarHBondContact O-N 3.34Å |
| 549 | K | 96.7 | Very high | 96 | Very high | 124 Ų | 124 | 115.8 Ų | 115.8 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -35 | 175.5 | -74.4 | 170.6 | -179 | 177.7 | 0 | 112.6 | L545 T546 K553 | L545-K549 WeakPolarHBondContact O-CB 3.43Å; L545-K549 VanDerWaalsContact O-CG 3.27Å; L545-K549 WeakPolarHBondContact O-CG 3.5Å; L545-K549 PolarHBondContact O-N 2.86Å; T546-K549 PolarHBondContact O-N 3.12Å; K549-K553 VanDerWaalsContact O-CG 3.3Å; K549-K553 WeakPolarHBondContact O-CG 3.19Å; K549-K553 PolarHBondContact O-N 2.89Å; K549-K553 VanDerWaalsContact O-N 3.11Å |
| 550 | Q | 97.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 114.8 Ų | 114.8 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -54.6 | 173.7 | -74.8 | 166.7 | -26.8 | 0 | 0 | 111 | T546 K547 Q548 M552 K553 E554 | T546-Q550 WeakPolarHBondContact O-CG 3.38Å; T546-Q550 PolarHBondContact O-N 2.8Å; K547-Q550 PolarHBondContact O-N 3.3Å; Q548-Q550 VanDerWaalsContact C-N 3.32Å; Q548-Q550 PolarHBondContact O-N 3.43Å; Q550-M552 VanDerWaalsContact C-N 3.27Å; Q550-M552 PolarHBondContact O-N 3.26Å; Q550-K553 WeakPolarHBondContact O-CA 3.34Å; Q550-K553 WeakPolarHBondContact O-CB 3.44Å; Q550-K553 PolarHBondContact O-N 3.23Å; Q550-E554 PolarHBondContact O-N 3.43Å |
| 551 | R | 96.5 | Very high | 95.6 | Very high | 180 Ų | 180 | 114.2 Ų | 114.2 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -54.8 | -40.8 | 176.4 | -70.8 | 174.6 | 178.8 | -173.2 | -1.7 | 112.6 | K547 Q548 E554 L555 | K547-R551 WeakPolarHBondContact O-CG 3.34Å; K547-R551 PolarHBondContact O-N 3.18Å; Q548-R551 PolarHBondContact O-N 3.49Å; R551-E554 PolarHBondContact O-N 2.97Å; R551-L555 WeakPolarHBondContact O-CB 3.41Å; R551-L555 PolarHBondContact O-N 3.13Å |
| 552 | M | 95.8 | Very high | 95.4 | Very high | 124 Ų | 124 | 113.7 Ų | 113.7 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 176.1 | -175 | 175.4 | 66.9 | 0 | 0 | 112.5 | Q548 Q550 Q556 | Q548-M552 WeakPolarHBondContact O-CB 3.25Å; Q548-M552 PolarHBondContact O-N 3.34Å; Q550-M552 VanDerWaalsContact C-N 3.27Å; Q550-M552 PolarHBondContact O-N 3.26Å; M552-Q556 WeakPolarHBondContact O-CB 3.43Å; M552-Q556 PolarHBondContact O-N 2.87Å |
| 553 | K | 97.3 | Very high | 95 | Very high | 130 Ų | 130 | 112.5 Ų | 112.5 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.3 | -37.4 | 174.4 | -75.3 | 173.7 | 178.7 | -175.7 | 0 | 112.2 | K549 Q550 Q556 K557 | K549-K553 VanDerWaalsContact O-CG 3.3Å; K549-K553 WeakPolarHBondContact O-CG 3.19Å; K549-K553 PolarHBondContact O-N 2.89Å; K549-K553 VanDerWaalsContact O-N 3.11Å; Q550-K553 WeakPolarHBondContact O-CA 3.34Å; Q550-K553 WeakPolarHBondContact O-CB 3.44Å; Q550-K553 PolarHBondContact O-N 3.23Å; K553-Q556 PolarHBondContact O-N 3.48Å; K553-K557 VanDerWaalsContact O-CG 3.3Å; K553-K557 WeakPolarHBondContact O-CG 3.48Å; K553-K557 PolarHBondContact O-N 2.82Å |
| 554 | E | 96.9 | Very high | 94.5 | Very high | 107 Ų | 107 | 111.1 Ų | 111.1 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 174.7 | -73.1 | 160 | -172.7 | 0 | 0 | 111.1 | Q550 R551 Q556 K557 L558 | Q550-E554 PolarHBondContact O-N 3.43Å; R551-E554 PolarHBondContact O-N 2.97Å; E554-Q556 VanDerWaalsContact C-N 3.32Å; E554-Q556 PolarHBondContact O-N 2.97Å; E554-K557 WeakPolarHBondContact O-CB 3.36Å; E554-K557 PolarHBondContact O-N 2.77Å; E554-K557 VanDerWaalsContact O-N 3.15Å; E554-L558 WeakPolarHBondContact O-CG 3.43Å; E554-L558 PolarHBondContact O-N 2.92Å |
| 555 | L | 96.7 | Very high | 93.8 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 173.1 | -178.7 | 61.1 | 0 | 0 | 0 | 111.6 | R551 K557 L558 L559 | R551-L555 WeakPolarHBondContact O-CB 3.41Å; R551-L555 PolarHBondContact O-N 3.13Å; L555-K557 VanDerWaalsContact C-N 3.35Å; L555-K557 PolarHBondContact O-N 3.22Å; L555-L558 PolarHBondContact O-N 3.29Å; L555-L559 HydrophobicContact CD1-CD1 4.28Å; L555-L559 HydrophobicContact CD1-CG 4.25Å; L555-L559 HydrophobicContact CG-CD1 4.07Å; L555-L559 HydrophobicContact CG-CG 4.46Å; L555-L559 WeakPolarHBondContact O-CB 3.45Å; L555-L559 VanDerWaalsContact O-CG 3.32Å; L555-L559 WeakPolarHBondContact O-CG 3.36Å; L555-L559 PolarHBondContact O-N 2.73Å |
| 556 | Q | 96.4 | Very high | 93.2 | Very high | 125 Ų | 125 | 115 Ų | 115 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -41.3 | 175.6 | -172.1 | -177.1 | 17 | 0 | 0 | 111.9 | M552 K553 E554 T560 | M552-Q556 WeakPolarHBondContact O-CB 3.43Å; M552-Q556 PolarHBondContact O-N 2.87Å; K553-Q556 PolarHBondContact O-N 3.48Å; E554-Q556 VanDerWaalsContact C-N 3.32Å; E554-Q556 PolarHBondContact O-N 2.97Å; Q556-T560 VanDerWaalsContact O-CB 3.3Å; Q556-T560 WeakPolarHBondContact O-CB 3.35Å; Q556-T560 PolarHBondContact O-N 3.47Å; Q556-T560 PolarHBondContact O-OG1 3.43Å |
| 557 | K | 96.4 | Very high | 92.5 | Very high | 146 Ų | 146 | 115.3 Ų | 115.3 | 64% | 0.635 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.9 | -49.1 | 173.9 | -74.9 | 171.1 | 179.7 | -178.1 | 0 | 111 | K553 E554 L555 L559 T560 T561 | K553-K557 VanDerWaalsContact O-CG 3.3Å; K553-K557 WeakPolarHBondContact O-CG 3.48Å; K553-K557 PolarHBondContact O-N 2.82Å; E554-K557 WeakPolarHBondContact O-CB 3.36Å; E554-K557 PolarHBondContact O-N 2.77Å; E554-K557 VanDerWaalsContact O-N 3.15Å; L555-K557 VanDerWaalsContact C-N 3.35Å; L555-K557 PolarHBondContact O-N 3.22Å; K557-L559 PolarHBondContact O-N 3.43Å; K557-T560 CarbonylContact O-C 3.45Å; K557-T560 WeakPolarHBondContact O-CB 3.18Å; K557-T560 PolarHBondContact O-N 3.32Å; K557-T560 VanDerWaalsContact O-N 3.14Å; K557-T561 PolarHBondContact O-N 3.46Å; K557-T561 PolarHBondContact O-OG1 3.43Å |
| 558 | L | 95.8 | Very high | 91.6 | Very high | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.5 | -41.3 | 179.9 | -69.8 | 172.2 | 0 | 0 | 0 | 112.7 | E554 L555 T560 T561 R562 | E554-L558 WeakPolarHBondContact O-CG 3.43Å; E554-L558 PolarHBondContact O-N 2.92Å; L555-L558 PolarHBondContact O-N 3.29Å; L558-T560 VanDerWaalsContact C-N 3.34Å; L558-T561 WeakPolarHBondContact CA-OG1 3.27Å; L558-T561 PolarHBondContact O-OG1 3.5Å; L558-R562 VanDerWaalsContact O-CB 3.26Å; L558-R562 WeakPolarHBondContact O-CB 3.44Å; L558-R562 PolarHBondContact O-N 3.48Å |
| 559 | L | 94.6 | Very high | 90.5 | Very high | 107 Ų | 107 | 115.7 Ų | 115.7 | 56% | 0.56 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65 | -39.4 | 173.2 | -69.7 | 172.9 | 0 | 0 | 0 | 111.2 | L555 K557 A563 | L555-L559 HydrophobicContact CD1-CD1 4.28Å; L555-L559 HydrophobicContact CD1-CG 4.25Å; L555-L559 HydrophobicContact CG-CD1 4.07Å; L555-L559 HydrophobicContact CG-CG 4.46Å; L555-L559 WeakPolarHBondContact O-CB 3.45Å; L555-L559 VanDerWaalsContact O-CG 3.32Å; L555-L559 WeakPolarHBondContact O-CG 3.36Å; L555-L559 PolarHBondContact O-N 2.73Å; K557-L559 PolarHBondContact O-N 3.43Å; L559-A563 VanDerWaalsContact O-CB 3.24Å; L559-A563 WeakPolarHBondContact O-CB 3.3Å; L559-A563 PolarHBondContact O-N 2.98Å |
| 560 | T | 92 | Very high | 89.6 | Confident | 64 Ų | 64 | 116.2 Ų | 116.2 | 39% | 0.393 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.9 | -41.3 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | Q556 K557 L558 K564 | Q556-T560 VanDerWaalsContact O-CB 3.3Å; Q556-T560 WeakPolarHBondContact O-CB 3.35Å; Q556-T560 PolarHBondContact O-N 3.47Å; Q556-T560 PolarHBondContact O-OG1 3.43Å; K557-T560 CarbonylContact O-C 3.45Å; K557-T560 WeakPolarHBondContact O-CB 3.18Å; K557-T560 PolarHBondContact O-N 3.32Å; K557-T560 VanDerWaalsContact O-N 3.14Å; L558-T560 VanDerWaalsContact C-N 3.34Å; T560-K564 HydrophobicContact CG2-CD 4.28Å; T560-K564 WeakPolarHBondContact O-CB 3.25Å; T560-K564 VanDerWaalsContact O-CG 3.25Å; T560-K564 WeakPolarHBondContact O-CG 3.5Å; T560-K564 PolarHBondContact O-N 3.4Å |
| 561 | T | 89 | Confident | 88.7 | Confident | 86 Ų | 86 | 113.1 Ų | 113.1 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.6 | -42.9 | 176.3 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | K557 L558 K564 A565 | K557-T561 PolarHBondContact O-N 3.46Å; K557-T561 PolarHBondContact O-OG1 3.43Å; L558-T561 WeakPolarHBondContact CA-OG1 3.27Å; L558-T561 PolarHBondContact O-OG1 3.5Å; T561-K564 PolarHBondContact O-N 2.95Å; T561-A565 PolarHBondContact O-N 3.4Å |
| 562 | R | 90.3 | Very high | 87.8 | Confident | 156 Ų | 156 | 111.5 Ų | 111.5 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.5 | -43.8 | 175.7 | -173 | 171.2 | -174.8 | -167.5 | -3.7 | 112.2 | L558 A565 Y566 | L558-R562 VanDerWaalsContact O-CB 3.26Å; L558-R562 WeakPolarHBondContact O-CB 3.44Å; L558-R562 PolarHBondContact O-N 3.48Å; R562-A565 PolarHBondContact O-N 3.41Å; R562-Y566 HydrophobicContact CG-CD2 4.1Å; R562-Y566 HydrophobicContact CG-CE2 3.62Å; R562-Y566 PolarHBondContact NH2-OH 3.19Å; R562-Y566 WeakPolarHBondContact O-CD2 3.29Å; R562-Y566 PolarHBondContact O-N 2.83Å |
| 563 | A | 86.9 | Confident | 87.2 | Confident | 60 Ų | 60 | 108.2 Ų | 108.2 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L559 A565 Y566 D567 | L559-A563 VanDerWaalsContact O-CB 3.24Å; L559-A563 WeakPolarHBondContact O-CB 3.3Å; L559-A563 PolarHBondContact O-N 2.98Å; A563-A565 VanDerWaalsContact C-N 3.29Å; A563-A565 PolarHBondContact O-N 2.66Å; A563-Y566 PolarHBondContact O-N 3.02Å; A563-D567 PolarHBondContact O-N 3.35Å; A563-D567 VanDerWaalsContact O-N 3.1Å |
| 564 | K | 85.1 | Confident | 86.5 | Confident | 110 Ų | 110 | 105.8 Ų | 105.8 | 48% | 0.478 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.5 | -29.9 | 174.8 | -75.3 | 173.2 | 175.7 | -175.3 | 0 | 113.9 | T560 T561 Y566 D567 | T560-K564 HydrophobicContact CG2-CD 4.28Å; T560-K564 WeakPolarHBondContact O-CB 3.25Å; T560-K564 VanDerWaalsContact O-CG 3.25Å; T560-K564 WeakPolarHBondContact O-CG 3.5Å; T560-K564 PolarHBondContact O-N 3.4Å; T561-K564 PolarHBondContact O-N 2.95Å; K564-Y566 VanDerWaalsContact C-N 3.33Å; K564-D567 PolarHBondContact O-N 3.11Å |
| 565 | A | 82.2 | Confident | 86 | Confident | 85 Ų | 85 | 104.1 Ų | 104.1 | 70% | 0.702 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.8 | -25 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T561 R562 A563 | T561-A565 PolarHBondContact O-N 3.4Å; R562-A565 PolarHBondContact O-N 3.41Å; A563-A565 VanDerWaalsContact C-N 3.29Å; A563-A565 PolarHBondContact O-N 2.66Å |
| 566 | Y | 82.9 | Confident | 85.4 | Confident | 171 Ų | 171 | 102 Ų | 102 | 67% | 0.671 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -88.9 | -18.1 | 172.4 | -68.1 | -63.4 | 0 | 0 | 0 | 113.5 | R562 A563 K564 S568 | R562-Y566 HydrophobicContact CG-CD2 4.1Å; R562-Y566 HydrophobicContact CG-CE2 3.62Å; R562-Y566 PolarHBondContact NH2-OH 3.19Å; R562-Y566 WeakPolarHBondContact O-CD2 3.29Å; R562-Y566 PolarHBondContact O-N 2.83Å; A563-Y566 PolarHBondContact O-N 3.02Å; K564-Y566 VanDerWaalsContact C-N 3.33Å; Y566-S568 PolarHBondContact O-N 2.95Å |
| 567 | D | 81.5 | Confident | 85.2 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | trans | -81.9 | 100.4 | 174.7 | -174.3 | 4.1 | 0 | 0 | 0 | 110.7 | A563 K564 H569 | A563-D567 PolarHBondContact O-N 3.35Å; A563-D567 VanDerWaalsContact O-N 3.1Å; K564-D567 PolarHBondContact O-N 3.11Å; D567-H569 PolarHBondContact O-N 3.46Å; D567-H569 PolarHBondContact OD1-N 3.1Å; D567-H569 VanDerWaalsContact OD1-O 3.11Å | ||
| 568 | S | 78 | Confident | 84.9 | Confident | 102 Ų | 102 | 98.5 Ų | 98.5 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -67.5 | -11.1 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | Y566 | Y566-S568 PolarHBondContact O-N 2.95Š|
| 569 | H | 73.1 | Confident | 84.7 | Confident | 144 Ų | 144 | 101.6 Ų | 101.6 | 67% | 0.667 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -123.3 | 93.6 | -174.9 | -62.9 | -60.1 | 0 | 0 | 0 | 110.9 | D567 S571 | D567-H569 PolarHBondContact O-N 3.46Å; D567-H569 PolarHBondContact OD1-N 3.1Å; D567-H569 VanDerWaalsContact OD1-O 3.11Å; H569-S571 PolarHBondContact O-N 3.33Å |
| 570 | Q | 77.1 | Confident | 84.7 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | trans | -49.7 | 112.8 | 170.8 | -66.9 | -174.2 | 29.3 | 0 | 0 | 110.4 | L572 I575 | Q570-L572 PolarHBondContact O-N 2.84Å; Q570-I575 HydrophobicContact CB-CD1 4.02Å; Q570-I575 HydrophobicContact CB-CG1 3.91Å; Q570-I575 VanDerWaalsContact O-CD1 3.3Å; Q570-I575 WeakPolarHBondContact O-CD1 3.44Å | ||
| 571 | S | 77.8 | Confident | 84.9 | Confident | 47 Ų | 47 | 103.6 Ų | 103.6 | 33% | 0.329 | 54% | 0.539 | S | S | . | . | trans | -50.4 | 138.2 | -179 | 62 | 0 | 0 | 0 | 0 | 111.7 | H569 A573 Q574 I575 | H569-S571 PolarHBondContact O-N 3.33Å; S571-A573 PolarHBondContact O-N 3.27Å; S571-Q574 WeakPolarHBondContact O-CA 3.34Å; S571-Q574 WeakPolarHBondContact O-CB 3.5Å; S571-Q574 PolarHBondContact O-N 3.39Å; S571-Q574 VanDerWaalsContact OG-CG 3.28Å; S571-Q574 WeakPolarHBondContact OG-CG 3.36Å; S571-Q574 PolarHBondContact OG-NE2 3.02Å; S571-I575 PolarHBondContact O-N 2.86Å | ||
| 572 | L | 78.1 | Confident | 85.2 | Confident | 145 Ų | 145 | 103.2 Ų | 103.2 | 76% | 0.759 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -52.8 | -32.6 | -177.8 | -178.1 | 62 | 0 | 0 | 0 | 112.8 | Q570 Q574 I575 S576 | Q570-L572 PolarHBondContact O-N 2.84Å; L572-Q574 VanDerWaalsContact C-N 3.35Å; L572-Q574 PolarHBondContact O-N 3.48Å; L572-I575 PolarHBondContact O-N 3.29Å; L572-S576 WeakPolarHBondContact O-CB 3.42Å; L572-S576 PolarHBondContact O-N 2.89Å; L572-S576 PolarHBondContact O-OG 3.42Å |
| 573 | A | 82.9 | Confident | 85.5 | Confident | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.9 | -19.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S571 S576 K577 | S571-A573 PolarHBondContact O-N 3.27Å; A573-S576 PolarHBondContact O-OG 3.18Å; A573-K577 WeakPolarHBondContact O-CD 3.43Å; A573-K577 WeakPolarHBondContact O-CE 3.32Å; A573-K577 WeakPolarHBondContact O-CG 3.43Å |
| 574 | Q | 83.5 | Confident | 86 | Confident | 79 Ų | 79 | 105.6 Ų | 105.6 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -82.2 | -43.6 | 169.2 | -72.9 | 177.9 | 47 | 0 | 0 | 110.6 | S571 L572 S576 K577 S578 | S571-Q574 WeakPolarHBondContact O-CA 3.34Å; S571-Q574 WeakPolarHBondContact O-CB 3.5Å; S571-Q574 PolarHBondContact O-N 3.39Å; S571-Q574 VanDerWaalsContact OG-CG 3.28Å; S571-Q574 WeakPolarHBondContact OG-CG 3.36Å; S571-Q574 PolarHBondContact OG-NE2 3.02Å; L572-Q574 VanDerWaalsContact C-N 3.35Å; L572-Q574 PolarHBondContact O-N 3.48Å; Q574-S576 PolarHBondContact O-N 3.36Å; Q574-K577 PolarHBondContact O-N 3.25Å; Q574-S578 PolarHBondContact O-N 3.29Å; Q574-S578 PolarHBondContact O-OG 3.39Å |
| 575 | I | 84.9 | Confident | 86.5 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 37% | 0.374 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 178.1 | -58.2 | 174.5 | 0 | 0 | 0 | 111.3 | Q570 S571 L572 K577 S578 R579 | Q570-I575 HydrophobicContact CB-CD1 4.02Å; Q570-I575 HydrophobicContact CB-CG1 3.91Å; Q570-I575 VanDerWaalsContact O-CD1 3.3Å; Q570-I575 WeakPolarHBondContact O-CD1 3.44Å; S571-I575 PolarHBondContact O-N 2.86Å; L572-I575 PolarHBondContact O-N 3.29Å; I575-K577 VanDerWaalsContact C-N 3.32Å; I575-K577 PolarHBondContact O-N 2.92Å; I575-S578 PolarHBondContact O-N 2.85Å; I575-S578 PolarHBondContact O-OG 3.18Å; I575-R579 VanDerWaalsContact O-CB 3.32Å; I575-R579 WeakPolarHBondContact O-CB 3.44Å; I575-R579 PolarHBondContact O-N 3.37Å |
| 576 | S | 85.4 | Confident | 87.2 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.5 | 64 | 0 | 0 | 0 | 0 | 112.1 | L572 A573 Q574 V580 | L572-S576 WeakPolarHBondContact O-CB 3.42Å; L572-S576 PolarHBondContact O-N 2.89Å; L572-S576 PolarHBondContact O-OG 3.42Å; A573-S576 PolarHBondContact O-OG 3.18Å; Q574-S576 PolarHBondContact O-N 3.36Å; S576-V580 WeakPolarHBondContact O-CB 3.3Å; S576-V580 VanDerWaalsContact O-CG2 3.27Å; S576-V580 WeakPolarHBondContact O-CG2 3.42Å; S576-V580 PolarHBondContact O-N 3.47Å |
| 577 | K | 91.6 | Very high | 87.8 | Confident | 140 Ų | 140 | 101.4 Ų | 101.4 | 61% | 0.609 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.1 | -37.3 | 176.2 | -73.4 | 173.4 | -168.3 | 174.4 | 0 | 113 | A573 Q574 I575 K581 | A573-K577 WeakPolarHBondContact O-CD 3.43Å; A573-K577 WeakPolarHBondContact O-CE 3.32Å; A573-K577 WeakPolarHBondContact O-CG 3.43Å; Q574-K577 PolarHBondContact O-N 3.25Å; I575-K577 VanDerWaalsContact C-N 3.32Å; I575-K577 PolarHBondContact O-N 2.92Å; K577-K581 WeakPolarHBondContact O-CG 3.5Å; K577-K581 PolarHBondContact O-N 2.95Å |
| 578 | S | 89.2 | Confident | 88.6 | Confident | 56 Ų | 56 | 104.1 Ų | 104.1 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.4 | -47.5 | 173.3 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | Q574 I575 V580 K581 C582 | Q574-S578 PolarHBondContact O-N 3.29Å; Q574-S578 PolarHBondContact O-OG 3.39Å; I575-S578 PolarHBondContact O-N 2.85Å; I575-S578 PolarHBondContact O-OG 3.18Å; S578-V580 PolarHBondContact O-N 3.01Å; S578-K581 CarbonylContact O-C 3.56Å; S578-K581 WeakPolarHBondContact O-CA 3.38Å; S578-K581 WeakPolarHBondContact O-CB 3.01Å; S578-K581 PolarHBondContact O-N 2.81Å; S578-C582 PolarHBondContact O-N 3.37Å; S578-C582 PolarHBondContact O-SG 3.01Å; S578-C582 VanDerWaalsContact O-SG 3.35Å |
| 579 | R | 92.7 | Very high | 89.5 | Confident | 182 Ų | 182 | 103.2 Ų | 103.2 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.7 | -45.2 | 177.8 | -171.2 | 172.1 | -178.1 | 165.1 | 1.3 | 112.9 | I575 K581 C582 L583 | I575-R579 VanDerWaalsContact O-CB 3.32Å; I575-R579 WeakPolarHBondContact O-CB 3.44Å; I575-R579 PolarHBondContact O-N 3.37Å; R579-K581 VanDerWaalsContact C-N 3.3Å; R579-K581 PolarHBondContact O-N 3.17Å; R579-C582 PolarHBondContact O-N 3.45Å; R579-L583 HydrophobicContact CG-CD1 4.48Å; R579-L583 WeakPolarHBondContact O-CG 3.48Å; R579-L583 PolarHBondContact O-N 2.86Å |
| 580 | V | 94.7 | Very high | 90.6 | Very high | 69 Ų | 69 | 103.6 Ų | 103.6 | 42% | 0.418 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | 175.1 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | S576 S578 R584 | S576-V580 WeakPolarHBondContact O-CB 3.3Å; S576-V580 VanDerWaalsContact O-CG2 3.27Å; S576-V580 WeakPolarHBondContact O-CG2 3.42Å; S576-V580 PolarHBondContact O-N 3.47Å; S578-V580 PolarHBondContact O-N 3.01Å; V580-R584 VanDerWaalsContact O-CG 3.29Å; V580-R584 WeakPolarHBondContact O-CG 3.46Å; V580-R584 PolarHBondContact O-N 2.79Å |
| 581 | K | 95.5 | Very high | 91.5 | Very high | 144 Ų | 144 | 102 Ų | 102 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | 173.5 | -75 | 176 | 177.8 | -172.3 | 0 | 112.2 | K577 S578 R579 R584 K585 | K577-K581 WeakPolarHBondContact O-CG 3.5Å; K577-K581 PolarHBondContact O-N 2.95Å; S578-K581 CarbonylContact O-C 3.56Å; S578-K581 WeakPolarHBondContact O-CA 3.38Å; S578-K581 WeakPolarHBondContact O-CB 3.01Å; S578-K581 PolarHBondContact O-N 2.81Å; R579-K581 VanDerWaalsContact C-N 3.3Å; R579-K581 PolarHBondContact O-N 3.17Å; K581-R584 PolarHBondContact O-N 2.92Å; K581-K585 PolarHBondContact O-N 3.06Å |
| 582 | C | 95.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 105.9 Ų | 105.9 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | S578 R579 R584 K585 S586 | S578-C582 PolarHBondContact O-N 3.37Å; S578-C582 PolarHBondContact O-SG 3.01Å; S578-C582 VanDerWaalsContact O-SG 3.35Å; R579-C582 PolarHBondContact O-N 3.45Å; C582-R584 VanDerWaalsContact C-N 3.31Å; C582-R584 PolarHBondContact O-N 3.29Å; C582-K585 WeakPolarHBondContact O-CA 3.15Å; C582-K585 WeakPolarHBondContact O-CB 3.35Å; C582-K585 PolarHBondContact O-N 3.4Å; C582-S586 PolarHBondContact O-N 2.95Å; C582-S586 PolarHBondContact O-OG 2.92Å |
| 583 | L | 96.5 | Very high | 93.3 | Very high | 103 Ų | 103 | 103.1 Ų | 103.1 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 175.4 | -69.4 | 171.3 | 0 | 0 | 0 | 112.4 | R579 K585 S586 E587 | R579-L583 HydrophobicContact CG-CD1 4.48Å; R579-L583 WeakPolarHBondContact O-CG 3.48Å; R579-L583 PolarHBondContact O-N 2.86Å; L583-K585 VanDerWaalsContact C-N 3.28Å; L583-K585 PolarHBondContact O-N 3.02Å; L583-S586 WeakPolarHBondContact CA-OG 3.38Å; L583-S586 PolarHBondContact O-N 3.46Å; L583-S586 PolarHBondContact O-OG 3.24Å; L583-E587 VanDerWaalsContact O-CB 3.27Å; L583-E587 WeakPolarHBondContact O-CB 3.23Å; L583-E587 PolarHBondContact O-N 3.21Å |
| 584 | R | 97 | Very high | 94 | Very high | 163 Ų | 163 | 106.4 Ų | 106.4 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68 | -22.5 | 175.1 | -71.3 | 173.3 | -176.9 | -166.9 | 0.7 | 114.1 | V580 K581 C582 K588 | V580-R584 VanDerWaalsContact O-CG 3.29Å; V580-R584 WeakPolarHBondContact O-CG 3.46Å; V580-R584 PolarHBondContact O-N 2.79Å; K581-R584 PolarHBondContact O-N 2.92Å; C582-R584 VanDerWaalsContact C-N 3.31Å; C582-R584 PolarHBondContact O-N 3.29Å; R584-K588 VanDerWaalsContact O-CG 3.31Å; R584-K588 WeakPolarHBondContact O-CG 3.33Å |
| 585 | K | 96.8 | Very high | 94.6 | Very high | 134 Ų | 134 | 107.7 Ų | 107.7 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -77.2 | -53.4 | 171.9 | -77.2 | -174.9 | 170.2 | -163.5 | 0 | 110 | K581 C582 L583 E587 K588 E589 | K581-K585 PolarHBondContact O-N 3.06Å; C582-K585 WeakPolarHBondContact O-CA 3.15Å; C582-K585 WeakPolarHBondContact O-CB 3.35Å; C582-K585 PolarHBondContact O-N 3.4Å; L583-K585 VanDerWaalsContact C-N 3.28Å; L583-K585 PolarHBondContact O-N 3.02Å; K585-E587 PolarHBondContact O-N 2.99Å; K585-K588 CarbonylContact O-C 3.56Å; K585-K588 WeakPolarHBondContact O-CA 3.31Å; K585-K588 WeakPolarHBondContact O-CB 3.31Å; K585-K588 PolarHBondContact O-N 3.24Å; K585-E589 VanDerWaalsContact O-CD 3.29Å; K585-E589 PolarHBondContact O-N 3.3Å |
| 586 | S | 96.1 | Very high | 95.2 | Very high | 37 Ų | 37 | 111.4 Ų | 111.4 | 26% | 0.259 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -34.9 | 178.5 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | C582 L583 E589 R590 | C582-S586 PolarHBondContact O-N 2.95Å; C582-S586 PolarHBondContact O-OG 2.92Å; L583-S586 WeakPolarHBondContact CA-OG 3.38Å; L583-S586 PolarHBondContact O-N 3.46Å; L583-S586 PolarHBondContact O-OG 3.24Å; S586-E589 WeakPolarHBondContact CA-OE2 3.35Å; S586-E589 PolarHBondContact N-OE2 2.84Å; S586-E589 PolarHBondContact O-N 3.35Å; S586-R590 WeakPolarHBondContact O-CG 3.45Å; S586-R590 PolarHBondContact O-N 2.85Å |
| 587 | E | 96.7 | Very high | 95.8 | Very high | 107 Ų | 107 | 112.8 Ų | 112.8 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 173.1 | -174.9 | 171.9 | -132 | 0 | 0 | 112.3 | L583 K585 M591 | L583-E587 VanDerWaalsContact O-CB 3.27Å; L583-E587 WeakPolarHBondContact O-CB 3.23Å; L583-E587 PolarHBondContact O-N 3.21Å; K585-E587 PolarHBondContact O-N 2.99Å; E587-M591 VanDerWaalsContact O-CG 3.3Å; E587-M591 WeakPolarHBondContact O-CG 3.47Å; E587-M591 PolarHBondContact O-N 2.91Å |
| 588 | K | 97.1 | Very high | 96 | Very high | 135 Ų | 135 | 109.5 Ų | 109.5 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 174 | -71.7 | 177.4 | 177.6 | -162.6 | 0 | 112.7 | R584 K585 M591 R592 | R584-K588 VanDerWaalsContact O-CG 3.31Å; R584-K588 WeakPolarHBondContact O-CG 3.33Å; K585-K588 CarbonylContact O-C 3.56Å; K585-K588 WeakPolarHBondContact O-CA 3.31Å; K585-K588 WeakPolarHBondContact O-CB 3.31Å; K585-K588 PolarHBondContact O-N 3.24Å; K588-M591 PolarHBondContact O-N 2.82Å; K588-R592 WeakPolarHBondContact O-CG 3.47Å; K588-R592 PolarHBondContact O-N 2.93Å; K588-R592 VanDerWaalsContact O-N 3.08Å |
| 589 | E | 96.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 112.5 Ų | 112.5 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -52 | 174.6 | -77.6 | 132 | -147.5 | 0 | 0 | 110.8 | K585 S586 M591 R592 E593 | K585-E589 VanDerWaalsContact O-CD 3.29Å; K585-E589 PolarHBondContact O-N 3.3Å; S586-E589 WeakPolarHBondContact CA-OE2 3.35Å; S586-E589 PolarHBondContact N-OE2 2.84Å; S586-E589 PolarHBondContact O-N 3.35Å; E589-M591 VanDerWaalsContact C-N 3.3Å; E589-M591 PolarHBondContact O-N 3.34Å; E589-R592 PolarHBondContact O-N 3.45Å; E589-E593 PolarHBondContact O-N 3.48Å |
| 590 | R | 97.8 | Very high | 96.5 | Very high | 151 Ų | 151 | 108.5 Ų | 108.5 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.3 | -38.9 | 174.2 | -68.8 | -177.4 | -54.2 | -179.3 | 8.9 | 113.4 | S586 R592 E593 Y594 | S586-R590 WeakPolarHBondContact O-CG 3.45Å; S586-R590 PolarHBondContact O-N 2.85Å; R590-R592 VanDerWaalsContact C-N 3.35Å; R590-R592 PolarHBondContact O-N 3.27Å; R590-E593 WeakPolarHBondContact CA-OE2 3.41Å; R590-E593 PolarHBondContact O-N 2.99Å; R590-Y594 WeakPolarHBondContact O-CB 3.39Å; R590-Y594 PolarHBondContact O-N 3.39Å |
| 591 | M | 96.1 | Very high | 96.5 | Very high | 102 Ų | 102 | 111 Ų | 111 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 175.5 | -73.7 | -58.9 | -56.6 | 0 | 0 | 112.8 | E587 K588 E589 Q595 | E587-M591 VanDerWaalsContact O-CG 3.3Å; E587-M591 WeakPolarHBondContact O-CG 3.47Å; E587-M591 PolarHBondContact O-N 2.91Å; K588-M591 PolarHBondContact O-N 2.82Å; E589-M591 VanDerWaalsContact C-N 3.3Å; E589-M591 PolarHBondContact O-N 3.34Å; M591-Q595 VanDerWaalsContact O-CG 3.28Å; M591-Q595 WeakPolarHBondContact O-CG 3.33Å; M591-Q595 PolarHBondContact O-N 3.28Å |
| 592 | R | 96.9 | Very high | 96.5 | Very high | 128 Ų | 128 | 109.1 Ų | 109.1 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.1 | -34.9 | 174.2 | -67.7 | -173.7 | -149.3 | 100.7 | -12.7 | 112.4 | K588 E589 R590 R596 | K588-R592 WeakPolarHBondContact O-CG 3.47Å; K588-R592 PolarHBondContact O-N 2.93Å; K588-R592 VanDerWaalsContact O-N 3.08Å; E589-R592 PolarHBondContact O-N 3.45Å; R590-R592 VanDerWaalsContact C-N 3.35Å; R590-R592 PolarHBondContact O-N 3.27Å; R592-R596 WeakPolarHBondContact O-CG 3.45Å; R592-R596 PolarHBondContact O-N 3.23Å |
| 593 | E | 96.9 | Very high | 96.4 | Very high | 87 Ų | 87 | 110 Ų | 110 | 41% | 0.407 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -52.2 | 171.7 | -75.8 | 158.4 | -177.3 | 0 | 0 | 110.5 | E589 R590 Q595 R596 E597 | E589-E593 PolarHBondContact O-N 3.48Å; R590-E593 WeakPolarHBondContact CA-OE2 3.41Å; R590-E593 PolarHBondContact O-N 2.99Å; E593-Q595 VanDerWaalsContact C-N 3.31Å; E593-Q595 PolarHBondContact O-N 3.36Å; E593-R596 PolarHBondContact O-N 2.94Å; E593-R596 VanDerWaalsContact O-N 3.1Å; E593-E597 PolarHBondContact O-N 3.27Å |
| 594 | Y | 97.3 | Very high | 96.3 | Very high | 125 Ų | 125 | 109.8 Ų | 109.8 | 49% | 0.49 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.5 | -43.2 | 175.9 | 179 | -107.9 | 0 | 0 | 0 | 112.9 | R590 E597 L598 | R590-Y594 WeakPolarHBondContact O-CB 3.39Å; R590-Y594 PolarHBondContact O-N 3.39Å; Y594-E597 PolarHBondContact O-N 3.1Å; Y594-L598 HydrophobicContact CD1-CD1 4.24Å; Y594-L598 HydrophobicContact CE1-CD1 3.61Å; Y594-L598 HydrophobicContact CE1-CG 4.24Å; Y594-L598 HydrophobicContact CE2-CD2 4.47Å; Y594-L598 HydrophobicContact CE2-CG 4.43Å; Y594-L598 WeakPolarHBondContact O-CG 3.44Å; Y594-L598 PolarHBondContact O-N 3.1Å |
| 595 | Q | 96.6 | Very high | 96 | Very high | 105 Ų | 105 | 107.4 Ų | 107.4 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 174.5 | -76.7 | 172.7 | -29 | 0 | 0 | 112.4 | M591 E593 E597 L598 E599 | M591-Q595 VanDerWaalsContact O-CG 3.28Å; M591-Q595 WeakPolarHBondContact O-CG 3.33Å; M591-Q595 PolarHBondContact O-N 3.28Å; E593-Q595 VanDerWaalsContact C-N 3.31Å; E593-Q595 PolarHBondContact O-N 3.36Å; Q595-E597 VanDerWaalsContact C-N 3.31Å; Q595-E597 PolarHBondContact O-N 2.92Å; Q595-L598 WeakPolarHBondContact O-CB 3.44Å; Q595-L598 PolarHBondContact O-N 2.9Å; Q595-L598 VanDerWaalsContact O-N 3.12Å; Q595-E599 WeakPolarHBondContact O-CG 3.47Å; Q595-E599 PolarHBondContact O-N 3.41Å |
| 596 | R | 96.7 | Very high | 95.6 | Very high | 152 Ų | 152 | 108.3 Ų | 108.3 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.7 | -38.4 | 176 | -74 | -176 | -65.6 | 162.6 | -1 | 112.5 | R592 E593 L598 E599 E600 | R592-R596 WeakPolarHBondContact O-CG 3.45Å; R592-R596 PolarHBondContact O-N 3.23Å; E593-R596 PolarHBondContact O-N 2.94Å; E593-R596 VanDerWaalsContact O-N 3.1Å; R596-L598 VanDerWaalsContact C-N 3.35Å; R596-E599 PolarHBondContact O-N 2.84Å; R596-E600 WeakPolarHBondContact O-CB 3.46Å; R596-E600 PolarHBondContact O-N 2.81Å |
| 597 | E | 96.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 113.6 Ų | 113.6 | 41% | 0.407 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 175.5 | -61.1 | -174.8 | -167.4 | 0 | 0 | 113 | E593 Y594 Q595 R601 | E593-E597 PolarHBondContact O-N 3.27Å; Y594-E597 PolarHBondContact O-N 3.1Å; Q595-E597 VanDerWaalsContact C-N 3.31Å; Q595-E597 PolarHBondContact O-N 2.92Å; E597-R601 WeakPolarHBondContact O-CB 3.47Å; E597-R601 VanDerWaalsContact O-CG 3.22Å; E597-R601 WeakPolarHBondContact O-CG 3.37Å; E597-R601 PolarHBondContact O-N 3.32Å; E597-R601 IonicContact OE2-CZ 2.8Å; E597-R601 IonicContact OE2-NH1 2.73Å; E597-R601 PolarHBondContact OE2-NH1 2.96Å; E597-R601 IonicContact OE2-NH2 3.13Å; E597-R601 PolarHBondContact OE2-NH2 2.97Å |
| 598 | L | 96.9 | Very high | 94.9 | Very high | 70 Ų | 70 | 116.2 Ų | 116.2 | 37% | 0.366 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 172.7 | -71.3 | -178.2 | 0 | 0 | 0 | 110.6 | Y594 Q595 R596 E600 R601 E602 | Y594-L598 HydrophobicContact CD1-CD1 4.24Å; Y594-L598 HydrophobicContact CE1-CD1 3.61Å; Y594-L598 HydrophobicContact CE1-CG 4.24Å; Y594-L598 HydrophobicContact CE2-CD2 4.47Å; Y594-L598 HydrophobicContact CE2-CG 4.43Å; Y594-L598 WeakPolarHBondContact O-CG 3.44Å; Y594-L598 PolarHBondContact O-N 3.1Å; Q595-L598 WeakPolarHBondContact O-CB 3.44Å; Q595-L598 PolarHBondContact O-N 2.9Å; Q595-L598 VanDerWaalsContact O-N 3.12Å; R596-L598 VanDerWaalsContact C-N 3.35Å; L598-E600 PolarHBondContact O-N 3.47Å; L598-R601 PolarHBondContact O-N 3.4Å; L598-E602 PolarHBondContact O-N 2.68Å |
| 599 | E | 96.1 | Very high | 94.6 | Very high | 120 Ų | 120 | 111.8 Ų | 111.8 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.1 | -45.2 | 174.6 | -70.1 | 167.3 | 179.5 | 0 | 0 | 111.5 | Q595 R596 R601 E602 E603 | Q595-E599 WeakPolarHBondContact O-CG 3.47Å; Q595-E599 PolarHBondContact O-N 3.41Å; R596-E599 PolarHBondContact O-N 2.84Å; E599-R601 PolarHBondContact O-N 3.23Å; E599-E602 WeakPolarHBondContact O-CB 3.39Å; E599-E602 PolarHBondContact O-N 3.14Å; E599-E603 PolarHBondContact O-N 2.76Å |
| 600 | E | 96.7 | Very high | 94.4 | Very high | 97 Ų | 97 | 112.7 Ų | 112.7 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 177.5 | -160.8 | -150.4 | -174.4 | 0 | 0 | 112.2 | R596 L598 E603 K604 | R596-E600 WeakPolarHBondContact O-CB 3.46Å; R596-E600 PolarHBondContact O-N 2.81Å; L598-E600 PolarHBondContact O-N 3.47Å; E600-E603 PolarHBondContact O-N 3.33Å; E600-K604 VanDerWaalsContact CD-CE 3.43Å; E600-K604 HydrophobicContact CG-CD 4.44Å; E600-K604 WeakPolarHBondContact O-CB 3.43Å; E600-K604 VanDerWaalsContact O-CG 3.27Å; E600-K604 WeakPolarHBondContact O-CG 3.34Å; E600-K604 PolarHBondContact O-N 3.44Å; E600-K604 WeakPolarHBondContact OE1-CE 3.43Å; E600-K604 IonicContact OE1-NZ 2.65Å; E600-K604 PolarHBondContact OE1-NZ 2.92Å; E600-K604 IonicContact OE2-NZ 3.42Å; E600-K604 PolarHBondContact OE2-NZ 2.86Å |
| 601 | R | 94.6 | Very high | 94.1 | Very high | 123 Ų | 123 | 112 Ų | 112 | 46% | 0.464 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 173.9 | -74.6 | 175.5 | -172.6 | 107.3 | 3.9 | 111.2 | E597 L598 E599 K604 L605 | E597-R601 WeakPolarHBondContact O-CB 3.47Å; E597-R601 VanDerWaalsContact O-CG 3.22Å; E597-R601 WeakPolarHBondContact O-CG 3.37Å; E597-R601 PolarHBondContact O-N 3.32Å; E597-R601 IonicContact OE2-CZ 2.8Å; E597-R601 IonicContact OE2-NH1 2.73Å; E597-R601 PolarHBondContact OE2-NH1 2.96Å; E597-R601 IonicContact OE2-NH2 3.13Å; E597-R601 PolarHBondContact OE2-NH2 2.97Å; L598-R601 PolarHBondContact O-N 3.4Å; E599-R601 PolarHBondContact O-N 3.23Å; R601-K604 PolarHBondContact O-N 3.48Å; R601-L605 VanDerWaalsContact O-CG 3.31Å; R601-L605 WeakPolarHBondContact O-CG 3.31Å; R601-L605 PolarHBondContact O-N 3.21Å |
| 602 | E | 94.4 | Very high | 94.1 | Very high | 103 Ų | 103 | 114.3 Ų | 114.3 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 173.5 | -79 | -166.5 | -161.9 | 0 | 0 | 112.5 | L598 E599 L605 K606 | L598-E602 PolarHBondContact O-N 2.68Å; E599-E602 WeakPolarHBondContact O-CB 3.39Å; E599-E602 PolarHBondContact O-N 3.14Å; E602-L605 PolarHBondContact O-N 2.8Å; E602-K606 WeakPolarHBondContact O-CB 3.27Å; E602-K606 VanDerWaalsContact O-CG 3.26Å; E602-K606 WeakPolarHBondContact O-CG 3.22Å; E602-K606 PolarHBondContact O-N 3.29Å; E602-K606 IonicContact OE2-NZ 2.81Å; E602-K606 PolarHBondContact OE2-NZ 2.99Å |
| 603 | E | 94.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 111.9 Ų | 111.9 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.5 | -80.9 | -163.6 | -162 | 0 | 0 | 112 | E599 E600 L605 K606 K607 | E599-E603 PolarHBondContact O-N 2.76Å; E600-E603 PolarHBondContact O-N 3.33Å; E603-L605 PolarHBondContact O-N 2.92Å; E603-K606 PolarHBondContact O-N 3.43Å; E603-K607 WeakPolarHBondContact O-CB 3.24Å; E603-K607 VanDerWaalsContact O-CG 3.23Å; E603-K607 WeakPolarHBondContact O-CG 3.33Å; E603-K607 PolarHBondContact O-N 3.39Å; E603-K607 WeakPolarHBondContact OE2-CE 3.22Å; E603-K607 IonicContact OE2-NZ 3.42Å; E603-K607 PolarHBondContact OE2-NZ 2.87Å |
| 604 | K | 94.4 | Very high | 93.7 | Very high | 99 Ų | 99 | 113.4 Ų | 113.4 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -34.3 | 175.2 | -76.1 | 167.8 | -179.6 | 167.8 | 0 | 111.6 | E600 R601 R608 | E600-K604 VanDerWaalsContact CD-CE 3.43Å; E600-K604 HydrophobicContact CG-CD 4.44Å; E600-K604 WeakPolarHBondContact O-CB 3.43Å; E600-K604 VanDerWaalsContact O-CG 3.27Å; E600-K604 WeakPolarHBondContact O-CG 3.34Å; E600-K604 PolarHBondContact O-N 3.44Å; E600-K604 WeakPolarHBondContact OE1-CE 3.43Å; E600-K604 IonicContact OE1-NZ 2.65Å; E600-K604 PolarHBondContact OE1-NZ 2.92Å; E600-K604 IonicContact OE2-NZ 3.42Å; E600-K604 PolarHBondContact OE2-NZ 2.86Å; R601-K604 PolarHBondContact O-N 3.48Å; K604-R608 WeakPolarHBondContact O-CD 3.22Å; K604-R608 VanDerWaalsContact O-CG 3.22Å; K604-R608 WeakPolarHBondContact O-CG 3.45Å; K604-R608 PolarHBondContact O-N 3.26Å |
| 605 | L | 90.6 | Very high | 93.6 | Very high | 114 Ų | 114 | 110.9 Ų | 110.9 | 60% | 0.597 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.1 | -44.8 | 173.1 | -70.5 | 169.7 | 0 | 0 | 0 | 112 | R601 E602 E603 K607 R608 | R601-L605 VanDerWaalsContact O-CG 3.31Å; R601-L605 WeakPolarHBondContact O-CG 3.31Å; R601-L605 PolarHBondContact O-N 3.21Å; E602-L605 PolarHBondContact O-N 2.8Å; E603-L605 PolarHBondContact O-N 2.92Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 3.46Å; L605-R608 PolarHBondContact O-N 2.83Å |
| 606 | K | 88.8 | Confident | 93.6 | Very high | 153 Ų | 153 | 108.5 Ų | 108.5 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | 176.6 | -70.2 | 161.9 | -169.4 | 160.5 | 0 | 112.5 | E602 E603 | E602-K606 WeakPolarHBondContact O-CB 3.27Å; E602-K606 VanDerWaalsContact O-CG 3.26Å; E602-K606 WeakPolarHBondContact O-CG 3.22Å; E602-K606 PolarHBondContact O-N 3.29Å; E602-K606 IonicContact OE2-NZ 2.81Å; E602-K606 PolarHBondContact OE2-NZ 2.99Å; E603-K606 PolarHBondContact O-N 3.43Å |
| 607 | K | 88.3 | Confident | 93.5 | Very high | 148 Ų | 148 | 105.4 Ų | 105.4 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.7 | 177.9 | -69.2 | 166.5 | -170.6 | 168.1 | 0 | 113.9 | E603 L605 P609 | E603-K607 WeakPolarHBondContact O-CB 3.24Å; E603-K607 VanDerWaalsContact O-CG 3.23Å; E603-K607 WeakPolarHBondContact O-CG 3.33Å; E603-K607 PolarHBondContact O-N 3.39Å; E603-K607 WeakPolarHBondContact OE2-CE 3.22Å; E603-K607 IonicContact OE2-NZ 3.42Å; E603-K607 PolarHBondContact OE2-NZ 2.87Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 3.46Å; K607-P609 WeakPolarHBondContact O-CD 3.39Å |
| 608 | R | 89.4 | Confident | 93.4 | Very high | 161 Ų | 161 | 108.3 Ų | 108.3 | 61% | 0.608 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -85.5 | 114.7 | 178.5 | -82.4 | 167.7 | 176.3 | -167.4 | -1.3 | 109.6 | K604 L605 | K604-R608 WeakPolarHBondContact O-CD 3.22Å; K604-R608 VanDerWaalsContact O-CG 3.22Å; K604-R608 WeakPolarHBondContact O-CG 3.45Å; K604-R608 PolarHBondContact O-N 3.26Å; L605-R608 PolarHBondContact O-N 2.83Å |
| 609 | P | 90.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 109.8 Ų | 109.8 | 28% | 0.279 | 52% | 0.516 | S | S | . | . | trans | -62.7 | 143.4 | 179.9 | 25.1 | -33.7 | 0 | 0 | 0 | 110.9 | K607 E613 R614 | K607-P609 WeakPolarHBondContact O-CD 3.39Å; P609-E613 WeakPolarHBondContact CA-OE2 3.23Å; P609-E613 HydrophobicContact CB-CB 4.48Å; P609-E613 HydrophobicContact CB-CG 4.43Å; P609-E613 VanDerWaalsContact CB-OE2 3.25Å; P609-E613 WeakPolarHBondContact CB-OE2 3.43Å; P609-R614 HydrophobicContact CB-CG 4.12Å; P609-R614 HydrophobicContact CG-CG 3.96Å; P609-R614 VanDerWaalsContact O-CZ 3.29Å; P609-R614 PolarHBondContact O-NE 2.88Å; P609-R614 PolarHBondContact O-NH2 2.99Å | ||
| 610 | L | 91.9 | Very high | 93.3 | Very high | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | trans | -71.8 | 159 | -176.3 | -68.6 | 164.7 | 0 | 0 | 0 | 111 | F612 E613 R614 | L610-F612 VanDerWaalsContact C-N 3.33Å; L610-F612 HydrophobicContact CB-CD1 3.98Å; L610-F612 HydrophobicContact CB-CE1 3.54Å; L610-F612 HydrophobicContact CB-CE2 4.3Å; L610-F612 HydrophobicContact CB-CZ 3.72Å; L610-F612 HydrophobicContact CD1-CE1 3.65Å; L610-F612 HydrophobicContact CD1-CE2 4.39Å; L610-F612 HydrophobicContact CD1-CZ 3.39Å; L610-F612 HydrophobicContact CG-CE1 4.13Å; L610-F612 HydrophobicContact CG-CZ 4.17Å; L610-F612 PolarHBondContact O-N 3.02Å; L610-E613 HydrophobicContact CB-CB 4.3Å; L610-E613 PolarHBondContact N-OE2 3.24Å; L610-E613 WeakPolarHBondContact O-CA 3.39Å; L610-E613 VanDerWaalsContact O-CB 3.32Å; L610-E613 WeakPolarHBondContact O-CB 3.36Å; L610-E613 PolarHBondContact O-N 2.87Å; L610-R614 WeakPolarHBondContact O-CG 3.48Å; L610-R614 PolarHBondContact O-N 3.31Å | ||
| 611 | L | 93.5 | Very high | 93.3 | Very high | 136 Ų | 136 | 110.8 Ų | 110.8 | 71% | 0.712 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | -173.7 | -174.8 | 65.2 | 0 | 0 | 0 | 112.2 | E613 R614 V615 | L611-E613 VanDerWaalsContact C-N 3.29Å; L611-E613 PolarHBondContact O-N 3.18Å; L611-R614 PolarHBondContact O-N 3.24Å; L611-V615 WeakPolarHBondContact O-CG2 3.37Å; L611-V615 PolarHBondContact O-N 3.29Å |
| 612 | F | 94.4 | Very high | 93.3 | Very high | 152 Ų | 152 | 109.4 Ų | 109.4 | 67% | 0.667 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -33.9 | 175.6 | 61.2 | -98.6 | 0 | 0 | 0 | 112.4 | L610 V615 A616 | L610-F612 VanDerWaalsContact C-N 3.33Å; L610-F612 HydrophobicContact CB-CD1 3.98Å; L610-F612 HydrophobicContact CB-CE1 3.54Å; L610-F612 HydrophobicContact CB-CE2 4.3Å; L610-F612 HydrophobicContact CB-CZ 3.72Å; L610-F612 HydrophobicContact CD1-CE1 3.65Å; L610-F612 HydrophobicContact CD1-CE2 4.39Å; L610-F612 HydrophobicContact CD1-CZ 3.39Å; L610-F612 HydrophobicContact CG-CE1 4.13Å; L610-F612 HydrophobicContact CG-CZ 4.17Å; L610-F612 PolarHBondContact O-N 3.02Å; F612-V615 PolarHBondContact O-N 3.3Å; F612-A616 WeakPolarHBondContact O-CB 3.39Å; F612-A616 PolarHBondContact O-N 3.06Å |
| 613 | E | 92.8 | Very high | 93.3 | Very high | 77 Ų | 77 | 107.2 Ų | 107.2 | 36% | 0.36 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.8 | -43.7 | 176.9 | -165.3 | -162 | 156.6 | 0 | 0 | 110.7 | P609 L610 L611 V615 A616 Q617 | P609-E613 WeakPolarHBondContact CA-OE2 3.23Å; P609-E613 HydrophobicContact CB-CB 4.48Å; P609-E613 HydrophobicContact CB-CG 4.43Å; P609-E613 VanDerWaalsContact CB-OE2 3.25Å; P609-E613 WeakPolarHBondContact CB-OE2 3.43Å; L610-E613 HydrophobicContact CB-CB 4.3Å; L610-E613 PolarHBondContact N-OE2 3.24Å; L610-E613 WeakPolarHBondContact O-CA 3.39Å; L610-E613 VanDerWaalsContact O-CB 3.32Å; L610-E613 WeakPolarHBondContact O-CB 3.36Å; L610-E613 PolarHBondContact O-N 2.87Å; L611-E613 VanDerWaalsContact C-N 3.29Å; L611-E613 PolarHBondContact O-N 3.18Å; E613-V615 VanDerWaalsContact C-N 3.31Å; E613-V615 PolarHBondContact O-N 3.04Å; E613-A616 PolarHBondContact O-N 2.77Å; E613-Q617 WeakPolarHBondContact O-CB 3.27Å; E613-Q617 VanDerWaalsContact O-CG 3.28Å; E613-Q617 WeakPolarHBondContact O-CG 3.2Å; E613-Q617 PolarHBondContact O-N 3Å; E613-Q617 PolarHBondContact OE1-NE2 2.98Å |
| 614 | R | 93.3 | Very high | 93.4 | Very high | 119 Ų | 119 | 105.7 Ų | 105.7 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 173 | -63.7 | 178.7 | -154.8 | -172.1 | 5.5 | 111.9 | P609 L610 L611 K618 | P609-R614 HydrophobicContact CB-CG 4.12Å; P609-R614 HydrophobicContact CG-CG 3.96Å; P609-R614 VanDerWaalsContact O-CZ 3.29Å; P609-R614 PolarHBondContact O-NE 2.88Å; P609-R614 PolarHBondContact O-NH2 2.99Å; L610-R614 WeakPolarHBondContact O-CG 3.48Å; L610-R614 PolarHBondContact O-N 3.31Å; L611-R614 PolarHBondContact O-N 3.24Å; R614-K618 WeakPolarHBondContact O-CB 3.42Å; R614-K618 WeakPolarHBondContact O-CG 3.4Å; R614-K618 PolarHBondContact O-N 3.49Å |
| 615 | V | 96 | Very high | 93.4 | Very high | 71 Ų | 71 | 106 Ų | 106 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L611 F612 E613 K618 N619 | L611-V615 WeakPolarHBondContact O-CG2 3.37Å; L611-V615 PolarHBondContact O-N 3.29Å; F612-V615 PolarHBondContact O-N 3.3Å; E613-V615 VanDerWaalsContact C-N 3.31Å; E613-V615 PolarHBondContact O-N 3.04Å; V615-K618 PolarHBondContact O-N 3.43Å; V615-N619 WeakPolarHBondContact O-CB 3.27Å; V615-N619 PolarHBondContact O-N 3.06Å; V615-N619 PolarHBondContact O-ND2 3.11Å; V615-N619 PolarHBondContact O-OD1 2.91Å |
| 616 | A | 95.8 | Very high | 93.5 | Very high | 56 Ų | 56 | 106.6 Ų | 106.6 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F612 E613 N619 A620 | F612-A616 WeakPolarHBondContact O-CB 3.39Å; F612-A616 PolarHBondContact O-N 3.06Å; E613-A616 PolarHBondContact O-N 2.77Å; A616-N619 PolarHBondContact O-N 2.97Å; A616-A620 VanDerWaalsContact O-CB 3.31Å; A616-A620 WeakPolarHBondContact O-CB 3.36Å; A616-A620 PolarHBondContact O-N 3.13Å |
| 617 | Q | 94.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 105.6 Ų | 105.6 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.4 | -71.6 | 175.2 | 14.1 | 0 | 0 | 112 | E613 A620 R621 | E613-Q617 WeakPolarHBondContact O-CB 3.27Å; E613-Q617 VanDerWaalsContact O-CG 3.28Å; E613-Q617 WeakPolarHBondContact O-CG 3.2Å; E613-Q617 PolarHBondContact O-N 3Å; E613-Q617 PolarHBondContact OE1-NE2 2.98Å; Q617-A620 PolarHBondContact O-N 3.02Å; Q617-R621 WeakPolarHBondContact O-CG 3.42Å; Q617-R621 PolarHBondContact O-N 3.3Å |
| 618 | K | 95.3 | Very high | 94 | Very high | 148 Ų | 148 | 104 Ų | 104 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 174.3 | -78.8 | -175.5 | 176.6 | -170.5 | 0 | 111.6 | R614 V615 A620 R621 M622 | R614-K618 WeakPolarHBondContact O-CB 3.42Å; R614-K618 WeakPolarHBondContact O-CG 3.4Å; R614-K618 PolarHBondContact O-N 3.49Å; V615-K618 PolarHBondContact O-N 3.43Å; K618-A620 VanDerWaalsContact C-N 3.33Å; K618-A620 PolarHBondContact O-N 2.92Å; K618-R621 PolarHBondContact O-N 3.37Å; K618-M622 WeakPolarHBondContact O-CB 3.45Å; K618-M622 VanDerWaalsContact O-CG 3.3Å; K618-M622 WeakPolarHBondContact O-CG 3.12Å; K618-M622 PolarHBondContact O-N 3.11Å |
| 619 | N | 96.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 178.9 | -70.7 | -9.9 | 0 | 0 | 0 | 111.7 | V615 A616 A623 | V615-N619 WeakPolarHBondContact O-CB 3.27Å; V615-N619 PolarHBondContact O-N 3.06Å; V615-N619 PolarHBondContact O-ND2 3.11Å; V615-N619 PolarHBondContact O-OD1 2.91Å; A616-N619 PolarHBondContact O-N 2.97Å; N619-A623 VanDerWaalsContact O-CB 3.3Å; N619-A623 WeakPolarHBondContact O-CB 3.34Å; N619-A623 PolarHBondContact O-N 3.22Å |
| 620 | A | 95.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 99.7 Ų | 99.7 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A616 Q617 K618 A623 A624 | A616-A620 VanDerWaalsContact O-CB 3.31Å; A616-A620 WeakPolarHBondContact O-CB 3.36Å; A616-A620 PolarHBondContact O-N 3.13Å; Q617-A620 PolarHBondContact O-N 3.02Å; K618-A620 VanDerWaalsContact C-N 3.33Å; K618-A620 PolarHBondContact O-N 2.92Å; A620-A623 PolarHBondContact O-N 2.76Å; A620-A624 WeakPolarHBondContact O-CB 3.49Å; A620-A624 PolarHBondContact O-N 3.18Å |
| 621 | R | 95.5 | Very high | 94.3 | Very high | 177 Ų | 177 | 97.6 Ų | 97.6 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.8 | -51.7 | 172.5 | -76.1 | -175.2 | -178.2 | -176.8 | 0.9 | 111.6 | Q617 K618 A623 A624 E625 | Q617-R621 WeakPolarHBondContact O-CG 3.42Å; Q617-R621 PolarHBondContact O-N 3.3Å; K618-R621 PolarHBondContact O-N 3.37Å; R621-A623 PolarHBondContact O-N 3.41Å; R621-A624 PolarHBondContact O-N 2.89Å; R621-A624 VanDerWaalsContact O-N 3.07Å; R621-E625 WeakPolarHBondContact O-CB 3.33Å; R621-E625 WeakPolarHBondContact O-CG 3.37Å; R621-E625 PolarHBondContact O-N 2.94Å |
| 622 | M | 94.3 | Very high | 94.1 | Very high | 94 Ų | 94 | 91.9 Ų | 91.9 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 177.5 | -69.4 | -59.8 | -53.4 | 0 | 0 | 112.5 | K618 K626 | K618-M622 WeakPolarHBondContact O-CB 3.45Å; K618-M622 VanDerWaalsContact O-CG 3.3Å; K618-M622 WeakPolarHBondContact O-CG 3.12Å; K618-M622 PolarHBondContact O-N 3.11Å; M622-K626 VanDerWaalsContact O-CB 3.27Å; M622-K626 WeakPolarHBondContact O-CB 3.36Å; M622-K626 WeakPolarHBondContact O-CD 3.46Å; M622-K626 WeakPolarHBondContact O-CG 3.3Å; M622-K626 PolarHBondContact O-N 2.75Å |
| 623 | A | 96.2 | Very high | 93.9 | Very high | 58 Ų | 58 | 91.1 Ų | 91.1 | 48% | 0.479 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | N619 A620 R621 K626 H627 | N619-A623 VanDerWaalsContact O-CB 3.3Å; N619-A623 WeakPolarHBondContact O-CB 3.34Å; N619-A623 PolarHBondContact O-N 3.22Å; A620-A623 PolarHBondContact O-N 2.76Å; R621-A623 PolarHBondContact O-N 3.41Å; A623-K626 PolarHBondContact O-N 3.39Å; A623-H627 WeakPolarHBondContact O-CB 3.49Å; A623-H627 PolarHBondContact O-N 2.84Å |
| 624 | A | 95.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 91.8 Ų | 91.8 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A620 R621 H627 Y628 | A620-A624 WeakPolarHBondContact O-CB 3.49Å; A620-A624 PolarHBondContact O-N 3.18Å; R621-A624 PolarHBondContact O-N 2.89Å; R621-A624 VanDerWaalsContact O-N 3.07Å; A624-H627 WeakPolarHBondContact O-CB 3.2Å; A624-H627 PolarHBondContact O-N 3.03Å; A624-Y628 WeakPolarHBondContact O-CB 3.25Å; A624-Y628 PolarHBondContact O-N 2.97Å |
| 625 | E | 93.8 | Very high | 93.8 | Very high | 105 Ų | 105 | 92.1 Ų | 92.1 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.3 | -71.9 | 165.4 | -159.9 | 0 | 0 | 111.9 | R621 Y628 S629 | R621-E625 WeakPolarHBondContact O-CB 3.33Å; R621-E625 WeakPolarHBondContact O-CG 3.37Å; R621-E625 PolarHBondContact O-N 2.94Å; E625-Y628 PolarHBondContact O-N 2.84Å; E625-S629 WeakPolarHBondContact O-CB 3.32Å; E625-S629 PolarHBondContact O-N 3.3Å; E625-S629 PolarHBondContact O-OG 2.94Å |
| 626 | K | 93.8 | Very high | 93.4 | Very high | 127 Ų | 127 | 92.2 Ų | 92.2 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 170.7 | -78.1 | 173.2 | -179.1 | -176.7 | 0 | 111.7 | M622 A623 S629 N630 | M622-K626 VanDerWaalsContact O-CB 3.27Å; M622-K626 WeakPolarHBondContact O-CB 3.36Å; M622-K626 WeakPolarHBondContact O-CD 3.46Å; M622-K626 WeakPolarHBondContact O-CG 3.3Å; M622-K626 PolarHBondContact O-N 2.75Å; A623-K626 PolarHBondContact O-N 3.39Å; K626-S629 PolarHBondContact O-OG 2.91Å; K626-N630 WeakPolarHBondContact O-CB 3.46Å; K626-N630 PolarHBondContact O-N 3.16Å; K626-N630 PolarHBondContact O-ND2 3.17Å |
| 627 | H | 94.1 | Very high | 93 | Very high | 132 Ų | 132 | 92.7 Ų | 92.7 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -48.8 | 175.8 | -174.2 | -81.9 | 0 | 0 | 0 | 111.1 | A623 A624 N630 T631 | A623-H627 WeakPolarHBondContact O-CB 3.49Å; A623-H627 PolarHBondContact O-N 2.84Å; A624-H627 WeakPolarHBondContact O-CB 3.2Å; A624-H627 PolarHBondContact O-N 3.03Å; H627-N630 PolarHBondContact O-N 3.48Å; H627-T631 WeakPolarHBondContact O-CG2 3.16Å; H627-T631 PolarHBondContact O-N 3.19Å; H627-T631 PolarHBondContact O-OG1 3.47Å |
| 628 | Y | 93.1 | Very high | 92.5 | Very high | 115 Ų | 115 | 91.8 Ų | 91.8 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.6 | -55.5 | 178 | 176.2 | -105.5 | 0 | 0 | 0 | 112.5 | A624 E625 N630 T631 L632 V642 | A624-Y628 WeakPolarHBondContact O-CB 3.25Å; A624-Y628 PolarHBondContact O-N 2.97Å; E625-Y628 PolarHBondContact O-N 2.84Å; Y628-N630 VanDerWaalsContact C-N 3.3Å; Y628-N630 PolarHBondContact O-N 3.44Å; Y628-T631 WeakPolarHBondContact CA-OG1 3.42Å; Y628-T631 PolarHBondContact O-N 3.08Å; Y628-T631 PolarHBondContact O-OG1 2.76Å; Y628-L632 HydrophobicContact CD1-CD1 4.14Å; Y628-L632 HydrophobicContact CE1-CD1 3.48Å; Y628-L632 VanDerWaalsContact CE1-CD1 3.48Å; Y628-L632 HydrophobicContact CE1-CG 4.32Å; Y628-L632 HydrophobicContact CE2-CD1 4.17Å; Y628-L632 HydrophobicContact CE2-CG 4.33Å; Y628-L632 PolarHBondContact O-N 2.88Å; Y628-V642 WeakPolarHBondContact OH-CG1 3.37Å |
| 629 | S | 90.8 | Very high | 92 | Very high | 16 Ų | 16 | 87.5 Ų | 87.5 | 11% | 0.112 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 178.5 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | E625 K626 K633 D639 | E625-S629 WeakPolarHBondContact O-CB 3.32Å; E625-S629 PolarHBondContact O-N 3.3Å; E625-S629 PolarHBondContact O-OG 2.94Å; K626-S629 PolarHBondContact O-OG 2.91Å; S629-K633 WeakPolarHBondContact O-CB 3.32Å; S629-K633 WeakPolarHBondContact O-CD 3.23Å; S629-K633 WeakPolarHBondContact O-CG 3.5Å; S629-K633 PolarHBondContact O-N 3.32Å; S629-D639 WeakPolarHBondContact CB-OD2 3.34Å |
| 630 | N | 92.4 | Very high | 91.4 | Very high | 98 Ų | 98 | 88.6 Ų | 88.6 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 172.2 | -72.4 | -14.7 | 0 | 0 | 0 | 112.2 | K626 H627 Y628 K633 A634 | K626-N630 WeakPolarHBondContact O-CB 3.46Å; K626-N630 PolarHBondContact O-N 3.16Å; K626-N630 PolarHBondContact O-ND2 3.17Å; H627-N630 PolarHBondContact O-N 3.48Å; Y628-N630 VanDerWaalsContact C-N 3.3Å; Y628-N630 PolarHBondContact O-N 3.44Å; N630-K633 PolarHBondContact O-N 2.83Å; N630-A634 WeakPolarHBondContact O-CB 3.1Å; N630-A634 PolarHBondContact O-N 2.91Å |
| 631 | T | 94 | Very high | 90.9 | Very high | 57 Ų | 57 | 91.8 Ų | 91.8 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 175.1 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | H627 Y628 A634 L635 | H627-T631 WeakPolarHBondContact O-CG2 3.16Å; H627-T631 PolarHBondContact O-N 3.19Å; H627-T631 PolarHBondContact O-OG1 3.47Å; Y628-T631 WeakPolarHBondContact CA-OG1 3.42Å; Y628-T631 PolarHBondContact O-N 3.08Å; Y628-T631 PolarHBondContact O-OG1 2.76Å; T631-A634 PolarHBondContact O-N 3.18Å; T631-L635 WeakPolarHBondContact O-CG 3.29Å; T631-L635 PolarHBondContact O-N 2.79Å; T631-L635 VanDerWaalsContact O-N 3.1Å |
| 632 | L | 90.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 85.8 Ų | 85.8 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.4 | -71.5 | -174.9 | 0 | 0 | 0 | 111.8 | Y628 A634 L635 G636 I637 D639 V642 | Y628-L632 HydrophobicContact CD1-CD1 4.14Å; Y628-L632 HydrophobicContact CE1-CD1 3.48Å; Y628-L632 VanDerWaalsContact CE1-CD1 3.48Å; Y628-L632 HydrophobicContact CE1-CG 4.32Å; Y628-L632 HydrophobicContact CE2-CD1 4.17Å; Y628-L632 HydrophobicContact CE2-CG 4.33Å; Y628-L632 PolarHBondContact O-N 2.88Å; L632-A634 VanDerWaalsContact C-N 3.33Å; L632-A634 PolarHBondContact O-N 2.77Å; L632-L635 CarbonylContact O-C 3.49Å; L632-L635 WeakPolarHBondContact O-CA 3.23Å; L632-L635 PolarHBondContact O-N 3.43Å; L632-G636 PolarHBondContact O-N 3.26Å; L632-G636 VanDerWaalsContact O-N 3.07Å; L632-I637 CarbonylContact C-O 3.52Å; L632-I637 VanDerWaalsContact C-O 3.24Å; L632-I637 HydrophobicContact CD2-CB 4.47Å; L632-I637 HydrophobicContact CD2-CG2 4.49Å; L632-I637 PolarHBondContact O-N 3.43Å; L632-I637 VanDerWaalsContact O-O 3.11Å; L632-D639 HydrophobicContact CD1-CB 4.44Å; L632-D639 WeakPolarHBondContact CD1-OD1 3.36Å; L632-V642 HydrophobicContact CD1-CG2 3.87Å; L632-V642 HydrophobicContact CD2-CG2 4.06Å |
| 633 | K | 90.1 | Very high | 89.8 | Confident | 136 Ų | 136 | 84.6 Ų | 84.6 | 59% | 0.591 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.3 | -41.3 | 174.1 | -73.4 | 166.9 | -173.7 | 168.5 | 0 | 112.5 | S629 N630 L635 G636 | S629-K633 WeakPolarHBondContact O-CB 3.32Å; S629-K633 WeakPolarHBondContact O-CD 3.23Å; S629-K633 WeakPolarHBondContact O-CG 3.5Å; S629-K633 PolarHBondContact O-N 3.32Å; N630-K633 PolarHBondContact O-N 2.83Å; K633-L635 PolarHBondContact O-N 2.87Å; K633-G636 PolarHBondContact O-N 3.08Å |
| 634 | A | 91.9 | Very high | 89.2 | Confident | 90 Ų | 90 | 88 Ų | 88 | 74% | 0.744 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.5 | -28.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N630 T631 L632 | N630-A634 WeakPolarHBondContact O-CB 3.1Å; N630-A634 PolarHBondContact O-N 2.91Å; T631-A634 PolarHBondContact O-N 3.18Å; L632-A634 VanDerWaalsContact C-N 3.33Å; L632-A634 PolarHBondContact O-N 2.77Å |
| 635 | L | 91.6 | Very high | 88.5 | Confident | 127 Ų | 127 | 91.7 Ų | 91.7 | 67% | 0.665 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.7 | 173.2 | -65 | 171.3 | 0 | 0 | 0 | 113.5 | T631 L632 K633 I637 | T631-L635 WeakPolarHBondContact O-CG 3.29Å; T631-L635 PolarHBondContact O-N 2.79Å; T631-L635 VanDerWaalsContact O-N 3.1Å; L632-L635 CarbonylContact O-C 3.49Å; L632-L635 WeakPolarHBondContact O-CA 3.23Å; L632-L635 PolarHBondContact O-N 3.43Å; K633-L635 PolarHBondContact O-N 2.87Å; L635-I637 VanDerWaalsContact C-N 3.3Å; L635-I637 HydrophobicContact CB-CD1 4.4Å; L635-I637 HydrophobicContact CB-CG1 4.48Å; L635-I637 PolarHBondContact O-N 3.49Å |
| 636 | G | 87.8 | Confident | 87.5 | Confident | 73 Ų | 73 | 89 Ų | 89 | 75% | 0.753 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 15.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L632 K633 | L632-G636 PolarHBondContact O-N 3.26Å; L632-G636 VanDerWaalsContact O-N 3.07Å; K633-G636 PolarHBondContact O-N 3.08Å |
| 637 | I | 86.5 | Confident | 86.2 | Confident | 66 Ų | 66 | 89.8 Ų | 89.8 | 34% | 0.338 | 49% | 0.49 | S | S | . | . | trans | -105.7 | 142.3 | -178.2 | -57.8 | 172.9 | 0 | 0 | 0 | 109.3 | L632 L635 F641 V642 | L632-I637 CarbonylContact C-O 3.52Å; L632-I637 VanDerWaalsContact C-O 3.24Å; L632-I637 HydrophobicContact CD2-CB 4.47Å; L632-I637 HydrophobicContact CD2-CG2 4.49Å; L632-I637 PolarHBondContact O-N 3.43Å; L632-I637 VanDerWaalsContact O-O 3.11Å; L635-I637 VanDerWaalsContact C-N 3.3Å; L635-I637 HydrophobicContact CB-CD1 4.4Å; L635-I637 HydrophobicContact CB-CG1 4.48Å; L635-I637 PolarHBondContact O-N 3.49Å; I637-F641 HydrophobicContact CG2-CD1 3.85Å; I637-V642 HydrophobicContact CG2-CG2 3.73Å | ||
| 638 | S | 84.9 | Confident | 84.6 | Confident | 67 Ų | 67 | 87.1 Ų | 87.1 | 47% | 0.469 | 49% | 0.486 | S | S | . | . | trans | -92.7 | 143.3 | 175.1 | 65.2 | 0 | 0 | 0 | 0 | 113 | E640 F641 V642 | S638-E640 PolarHBondContact O-N 2.86Å; S638-F641 WeakPolarHBondContact O-CB 3Å; S638-F641 PolarHBondContact O-N 3.24Å; S638-F641 WeakPolarHBondContact OG-CB 3.33Å; S638-F641 PolarHBondContact OG-N 2.75Å; S638-V642 PolarHBondContact O-N 3.27Å | ||
| 639 | D | 83.9 | Confident | 83 | Confident | 59 Ų | 59 | 84.2 Ų | 84.2 | 32% | 0.316 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.4 | -35.6 | 176.7 | -55.3 | 5.4 | 0 | 0 | 0 | 111.8 | S629 L632 V642 S643 | S629-D639 WeakPolarHBondContact CB-OD2 3.34Å; L632-D639 HydrophobicContact CD1-CB 4.44Å; L632-D639 WeakPolarHBondContact CD1-OD1 3.36Å; D639-V642 PolarHBondContact O-N 2.93Å; D639-S643 WeakPolarHBondContact O-CB 3.49Å; D639-S643 PolarHBondContact O-N 3.37Å; D639-S643 PolarHBondContact O-OG 3.15Å |
| 640 | E | 83 | Confident | 81.4 | Confident | 124 Ų | 124 | 90.2 Ų | 90.2 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 173.2 | -75.1 | -167.3 | -151 | 0 | 0 | 113.3 | S638 S643 K644 | S638-E640 PolarHBondContact O-N 2.86Å; E640-S643 PolarHBondContact O-N 3.05Å; E640-K644 WeakPolarHBondContact O-CB 3.39Å; E640-K644 WeakPolarHBondContact O-CD 3.15Å; E640-K644 VanDerWaalsContact O-CG 3.26Å; E640-K644 WeakPolarHBondContact O-CG 3.48Å; E640-K644 PolarHBondContact O-N 3.13Å; E640-K644 IonicContact OE2-NZ 3.32Å; E640-K644 PolarHBondContact OE2-NZ 2.95Å |
| 641 | F | 84.6 | Confident | 79.5 | Confident | 127 Ų | 127 | 91.6 Ų | 91.6 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | -179.9 | 176.5 | -94.4 | 0 | 0 | 0 | 110.6 | I637 S638 K645 | I637-F641 HydrophobicContact CG2-CD1 3.85Å; S638-F641 WeakPolarHBondContact O-CB 3Å; S638-F641 PolarHBondContact O-N 3.24Å; S638-F641 WeakPolarHBondContact OG-CB 3.33Å; S638-F641 PolarHBondContact OG-N 2.75Å; F641-K645 VanDerWaalsContact O-CB 3.28Å; F641-K645 WeakPolarHBondContact O-CB 3.11Å; F641-K645 PolarHBondContact O-N 3.2Å |
| 642 | V | 85.1 | Confident | 77.5 | Confident | 50 Ų | 50 | 96.5 Ų | 96.5 | 30% | 0.303 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 111 | Y628 L632 I637 S638 D639 K645 G646 | Y628-V642 WeakPolarHBondContact OH-CG1 3.37Å; L632-V642 HydrophobicContact CD1-CG2 3.87Å; L632-V642 HydrophobicContact CD2-CG2 4.06Å; I637-V642 HydrophobicContact CG2-CG2 3.73Å; S638-V642 PolarHBondContact O-N 3.27Å; D639-V642 PolarHBondContact O-N 2.93Å; V642-K645 PolarHBondContact O-N 3.48Å; V642-G646 PolarHBondContact O-N 3.39Å |
| 643 | S | 83.2 | Confident | 75.6 | Confident | 70 Ų | 70 | 101.9 Ų | 101.9 | 49% | 0.49 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.7 | -48.2 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | D639 E640 K645 G646 Q647 | D639-S643 WeakPolarHBondContact O-CB 3.49Å; D639-S643 PolarHBondContact O-N 3.37Å; D639-S643 PolarHBondContact O-OG 3.15Å; E640-S643 PolarHBondContact O-N 3.05Å; S643-K645 PolarHBondContact O-N 2.75Å; S643-G646 PolarHBondContact O-N 3.39Å; S643-Q647 WeakPolarHBondContact O-CG 3.21Å; S643-Q647 PolarHBondContact O-N 2.83Å; S643-Q647 VanDerWaalsContact O-N 3.11Å |
| 644 | K | 82.9 | Confident | 73.7 | Confident | 129 Ų | 129 | 104.8 Ų | 104.8 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.2 | -40.8 | 177.4 | -73 | 163.3 | 177.5 | 164.4 | 0 | 111.2 | E640 S648 | E640-K644 WeakPolarHBondContact O-CB 3.39Å; E640-K644 WeakPolarHBondContact O-CD 3.15Å; E640-K644 VanDerWaalsContact O-CG 3.26Å; E640-K644 WeakPolarHBondContact O-CG 3.48Å; E640-K644 PolarHBondContact O-N 3.13Å; E640-K644 IonicContact OE2-NZ 3.32Å; E640-K644 PolarHBondContact OE2-NZ 2.95Å; K644-S648 PolarHBondContact O-N 2.81Å |
| 645 | K | 80.4 | Confident | 71.6 | Confident | 141 Ų | 141 | 109.6 Ų | 109.6 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.5 | -39.2 | 178.2 | -166.8 | 64.8 | -179.9 | 169.9 | 0 | 112.4 | F641 V642 S643 Q647 S648 | F641-K645 VanDerWaalsContact O-CB 3.28Å; F641-K645 WeakPolarHBondContact O-CB 3.11Å; F641-K645 PolarHBondContact O-N 3.2Å; V642-K645 PolarHBondContact O-N 3.48Å; S643-K645 PolarHBondContact O-N 2.75Å; K645-Q647 PolarHBondContact O-N 3.49Å; K645-S648 PolarHBondContact O-N 3.38Å; K645-S648 VanDerWaalsContact O-N 3.16Å; K645-S648 PolarHBondContact O-OG 2.81Å |
| 646 | G | 72.9 | Confident | 69.4 | Low | 48 Ų | 48 | 110.9 Ų | 110.9 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.5 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | V642 S643 S648 G649 | V642-G646 PolarHBondContact O-N 3.39Å; S643-G646 PolarHBondContact O-N 3.39Å; G646-S648 VanDerWaalsContact C-N 3.33Å; G646-S648 PolarHBondContact O-N 2.88Å; G646-G649 PolarHBondContact O-N 3.24Å |
| 647 | Q | 67.1 | Low | 67.3 | Low | 144 Ų | 144 | 113.6 Ų | 113.6 | 67% | 0.673 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.8 | -37.7 | 172.7 | -73.5 | 179.4 | -6.5 | 0 | 0 | 112.5 | S643 K645 G649 K650 | S643-Q647 WeakPolarHBondContact O-CG 3.21Å; S643-Q647 PolarHBondContact O-N 2.83Å; S643-Q647 VanDerWaalsContact O-N 3.11Å; K645-Q647 PolarHBondContact O-N 3.49Å; Q647-G649 PolarHBondContact O-N 2.63Å; Q647-G649 VanDerWaalsContact O-N 3.14Å; Q647-K650 PolarHBondContact O-N 2.82Å |
| 648 | S | 59.6 | Low | 65.3 | Low | 75 Ų | 75 | 119.4 Ų | 119.4 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.1 | -12.3 | 177.5 | 74.5 | 0 | 0 | 0 | 0 | 114.7 | K644 K645 G646 | K644-S648 PolarHBondContact O-N 2.81Å; K645-S648 PolarHBondContact O-N 3.38Å; K645-S648 VanDerWaalsContact O-N 3.16Å; K645-S648 PolarHBondContact O-OG 2.81Å; G646-S648 VanDerWaalsContact C-N 3.33Å; G646-S648 PolarHBondContact O-N 2.88Å |
| 649 | G | 59.2 | Low | 63.2 | Low | 55 Ų | 55 | 124.4 Ų | 124.4 | 57% | 0.567 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -9.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G646 Q647 V651 | G646-G649 PolarHBondContact O-N 3.24Å; Q647-G649 PolarHBondContact O-N 2.63Å; Q647-G649 VanDerWaalsContact O-N 3.14Å; G649-V651 PolarHBondContact O-N 3.37Å |
| 650 | K | 56.7 | Low | 61.2 | Low | 141 Ų | 141 | 128.5 Ų | 128.5 | 61% | 0.613 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 27 | -171.4 | -74 | -164.3 | 166.9 | -162 | 0 | 116.1 | Q647 | Q647-K650 PolarHBondContact O-N 2.82Š|
| 651 | V | 54.5 | Low | 59 | Low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -16.8 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | G649 | G649-V651 PolarHBondContact O-N 3.37Š|
| 652 | L | 51.7 | Low | 56.5 | Low | 159 Ų | 159 | 131.8 Ų | 131.8 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -109.8 | 29.3 | -174.6 | -155.1 | 71.7 | 0 | 0 | 0 | 114.9 | ||
| 653 | E | 50.6 | Low | 54 | Low | 131 Ų | 131 | 136 Ų | 136 | 61% | 0.612 | 71% | 0.713 | S | S | * | * | trans | -109.8 | 21 | 176.3 | -106.1 | -177.9 | 168.9 | 0 | 0 | 114 | ||||
| 654 | Y | 49.2 | Very low | 51.9 | Low | 197 Ų | 197 | 138 Ų | 138 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -87.6 | -1.9 | 178 | -91.7 | -81.4 | 0 | 0 | 0 | 115.6 | ||
| 655 | F | 47.6 | Very low | 49.7 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -108.7 | -4.1 | -174.3 | -91.1 | -75.8 | 0 | 0 | 0 | 116.7 | ||
| 656 | N | 45.5 | Very low | 47.4 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -102.9 | 7.6 | -180 | -107.1 | 6.8 | 0 | 0 | 0 | 114.9 | Q658 | N656-Q658 VanDerWaalsContact C-N 3.28Å; N656-Q658 PolarHBondContact O-N 3.36Å |
| 657 | N | 43.6 | Very low | 46.1 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | -90.8 | 34.3 | -178 | -67.2 | -35.5 | 0 | 0 | 0 | 113.5 | ||||
| 658 | Q | 44.3 | Very low | 44.4 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -116.2 | 20.1 | -179.6 | -151.7 | 165.1 | 30.7 | 0 | 0 | 114.4 | N656 | N656-Q658 VanDerWaalsContact C-N 3.28Å; N656-Q658 PolarHBondContact O-N 3.36Å |
| 659 | E | 42.3 | Very low | 43.2 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -140 | 148.3 | 158.4 | -105.5 | 165.9 | -158.6 | 0 | 0 | 109.3 | ||
| 660 | T | 41.3 | Very low | 41.7 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | 72.7 | 71.5 | -174.1 | 71.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 661 | K | 36.4 | Very low | 40.6 | Very low | 207 Ų | 207 | 158.1 Ų | 158.1 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | -107.4 | 97.7 | 155.9 | -90.1 | -169.2 | 177.1 | -178.1 | 0 | 112.2 | ||||
| 662 | S | 33.3 | Very low | 39.6 | Very low | 114 Ų | 114 | 161.2 Ų | 161.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 179.1 | 136.1 | 142.7 | 45.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 663 | V | 32.6 | Very low | 39.2 | Very low | 137 Ų | 137 | 163 Ų | 163 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | cis | -133.3 | 148.7 | 33.3 | 167.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 664 | T | 37.4 | Very low | 38.3 | Very low | 113 Ų | 113 | 166.3 Ų | 166.3 | 69% | 0.693 | 83% | 0.827 | S | S | * | * | trans | -72 | 131.7 | 173.2 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 665 | E | 37.6 | Very low | 37.6 | Very low | 167 Ų | 167 | 165.8 Ų | 165.8 | 78% | 0.78 | 83% | 0.829 | S | S | * | * | 47 | 115.2 | 126.2 | -55.1 | -178.6 | 152.6 | 0 | 0 | 119.2 | |||||
| 666 | D | 32.2 | Very low | 37.1 | Very low | 174 Ų | 174 | 164.1 Ų | 164.1 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | -133.8 | 136.8 | 122.8 | -89.7 | -41.8 | 0 | 0 | 0 | 108 | |||||
| 667 | K | 45 | Very low | 36.5 | Very low | 198 Ų | 198 | 165.9 Ų | 165.9 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -135.6 | 123 | 176.9 | -81.7 | -163.5 | 179.8 | -174.2 | 0 | 110.1 | ||||
| 668 | E | 31.9 | Very low | 36.3 | Very low | 185 Ų | 185 | 168.6 Ų | 168.6 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -157.8 | 110.3 | 151 | -98.2 | 171 | 177.9 | 0 | 0 | 104.5 | ||||
| 669 | S | 35.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 171.2 Ų | 171.2 | 64% | 0.636 | 84% | 0.841 | S | S | * | * | 66.7 | 101.8 | 71.7 | 76.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 670 | F | 27.4 | Very low | 35.3 | Very low | 200 Ų | 200 | 170.3 Ų | 170.3 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | -174.2 | 165.5 | 101.3 | -117 | -97.9 | 0 | 0 | 0 | 111.4 | |||||
| 671 | N | 34.2 | Very low | 34.8 | Very low | 140 Ų | 140 | 171 Ų | 171 | 75% | 0.749 | 84% | 0.835 | S | S | * | * | trans | -69 | 149 | 169.5 | -65.5 | -29.4 | 0 | 0 | 0 | 110.5 | ||||
| 672 | E | 32.6 | Very low | 34.6 | Very low | 194 Ų | 194 | 164.1 Ų | 164.1 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | -167.4 | 156.4 | 101.3 | -103.5 | 170.9 | 171.6 | 0 | 0 | 112.2 | |||||
| 673 | E | 43.2 | Very low | 34.6 | Very low | 197 Ų | 197 | 168 Ų | 168 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -82.6 | 121.2 | 177.9 | -65 | 167.9 | 107.7 | 0 | 0 | 109.6 | ||||
| 674 | E | 31.3 | Very low | 34.9 | Very low | 199 Ų | 199 | 169.5 Ų | 169.5 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -100.8 | 102.3 | 169.3 | -159.7 | 167.8 | -141.4 | 0 | 0 | 110.8 | ||||
| 675 | K | 34.2 | Very low | 34.5 | Very low | 187 Ų | 187 | 171.4 Ų | 171.4 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | -73.9 | 128 | 157.5 | -78.2 | 176.5 | 177.7 | 170.9 | 0 | 108.4 | ||||
| 676 | I | 38.8 | Very low | 34.3 | Very low | 155 Ų | 155 | 172.7 Ų | 172.7 | 80% | 0.795 | 83% | 0.832 | S | S | * | * | trans | 19.1 | 113 | 137.1 | -50.5 | 168 | 0 | 0 | 0 | 115.3 | ||||
| 677 | E | 31.8 | Very low | 34.5 | Very low | 192 Ų | 192 | 173.5 Ų | 173.5 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | -158.7 | 152.4 | 122.2 | -115.1 | 170.9 | -149.4 | 0 | 0 | 112.9 | |||||
| 678 | E | 38.9 | Very low | 34 | Very low | 186 Ų | 186 | 171.1 Ų | 171.1 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -88.3 | 133.5 | -179.3 | -53.5 | 171.5 | 139 | 0 | 0 | 110.1 | ||||
| 679 | R | 31.3 | Very low | 34.4 | Very low | 243 Ų | 243 | 169.3 Ų | 169.3 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -166.1 | 160.9 | 139.4 | -117 | 172.2 | -177.4 | -159.4 | -2.8 | 117 | ||||
| 680 | E | 35.6 | Very low | 34.3 | Very low | 153 Ų | 153 | 170.8 Ų | 170.8 | 72% | 0.715 | 82% | 0.824 | S | S | * | * | trans | -73.6 | 172.2 | -176.9 | -60.1 | 165.7 | 111.8 | 0 | 0 | 114.7 | ||||
| 681 | N | 29.6 | Very low | 34.7 | Very low | 158 Ų | 158 | 168.5 Ų | 168.5 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 77.8 | 141.7 | 170.3 | -41.4 | -62.8 | 0 | 0 | 0 | 113.3 | ||||
| 682 | G | 33.4 | Very low | 34.8 | Very low | 64 Ų | 64 | 167.3 Ų | 167.3 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | cis | 147.8 | 156.4 | 8.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 683 | E | 32.7 | Very low | 35.2 | Very low | 196 Ų | 196 | 166.8 Ų | 166.8 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | 75.2 | 101.4 | 172.9 | -55.3 | -176.6 | 176.5 | 0 | 0 | 117.7 | ||||
| 684 | E | 37.8 | Very low | 34.7 | Very low | 168 Ų | 168 | 165.1 Ų | 165.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -2.3 | 138.8 | 135.4 | -52.2 | 176.8 | 175 | 0 | 0 | 118 | ||||
| 685 | N | 30.8 | Very low | 34.8 | Very low | 152 Ų | 152 | 160.2 Ų | 160.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | -162 | 115.2 | 129 | -105.8 | -56 | 0 | 0 | 0 | 115.3 | |||||
| 686 | Y | 32.7 | Very low | 34.7 | Very low | 195 Ų | 195 | 161.9 Ų | 161.9 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | 27 | 122.4 | 145.4 | -78.6 | -92.9 | 0 | 0 | 0 | 123 | ||||
| 687 | F | 37.2 | Very low | 34.5 | Very low | 191 Ų | 191 | 163.5 Ų | 163.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -60.1 | 140.4 | 146.3 | -95.9 | -108.8 | 0 | 0 | 0 | 111.5 | ||||
| 688 | I | 33.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 162.8 Ų | 162.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -129 | 115 | 152.4 | -63.3 | -176.8 | 0 | 0 | 0 | 108.4 | T690 | I688-T690 HydrophobicContact CG2-CG2 4.25Š| ||
| 689 | D | 39.3 | Very low | 34.4 | Very low | 148 Ų | 148 | 163 Ų | 163 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 127.3 | 169.3 | -102 | -38.5 | 0 | 0 | 0 | 110.5 | ||||
| 690 | T | 33.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 158.9 Ų | 158.9 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -133 | 88.6 | 162.3 | 56.7 | 0 | 0 | 0 | 0 | 112 | I688 | I688-T690 HydrophobicContact CG2-CG2 4.25Š| ||
| 691 | N | 36.3 | Very low | 34.6 | Very low | 153 Ų | 153 | 160.4 Ų | 160.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 15.2 | 114.8 | 134 | -178.5 | 35.4 | 0 | 0 | 0 | 117.2 | ||||
| 692 | S | 35.6 | Very low | 34.9 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -137.9 | 147 | 153.7 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 693 | Q | 41.5 | Very low | 34.9 | Very low | 182 Ų | 182 | 162 Ų | 162 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -78 | 139.2 | -173.1 | -60.1 | 165.6 | -100.8 | 0 | 0 | 111.3 | ||||
| 694 | D | 33.3 | Very low | 35.2 | Very low | 163 Ų | 163 | 161.2 Ų | 161.2 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -109.8 | 134.8 | 168.6 | -122.1 | -29.1 | 0 | 0 | 0 | 113.2 | ||||
| 695 | S | 33.5 | Very low | 35.2 | Very low | 95 Ų | 95 | 162.2 Ų | 162.2 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | trans | -92.2 | 124.6 | -171.5 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | K697 | S695-K697 PolarHBondContact O-N 3.18Š| ||
| 696 | Y | 31 | Very low | 35.4 | Very low | 223 Ų | 223 | 160.3 Ų | 160.3 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | -65.6 | 114.9 | 171.6 | -95.5 | -97.4 | 0 | 0 | 0 | 110.8 | ||||
| 697 | K | 36.1 | Very low | 35.6 | Very low | 188 Ų | 188 | 160.1 Ų | 160.1 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | trans | -102.3 | 105.7 | 155.7 | -77.8 | -172.7 | 178.4 | 177.1 | 0 | 108.9 | S695 | S695-K697 PolarHBondContact O-N 3.18Š| ||
| 698 | E | 30.3 | Very low | 35.6 | Very low | 178 Ų | 178 | 160.1 Ų | 160.1 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -67.9 | 125.3 | 170.2 | -162.5 | 161.7 | -147.4 | 0 | 0 | 108.4 | ||||
| 699 | K | 36.4 | Very low | 35.8 | Very low | 190 Ų | 190 | 162.2 Ų | 162.2 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -110.5 | 118.3 | 167.1 | -81.8 | -170.8 | 175.7 | -176.7 | 0 | 107.7 | E701 | K699-E701 PolarHBondContact O-N 2.81Š| ||
| 700 | D | 33.9 | Very low | 35.5 | Very low | 157 Ų | 157 | 164.9 Ų | 164.9 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 118.4 | 167.1 | -65.6 | -59.1 | 0 | 0 | 0 | 109 | ||
| 701 | E | 38.9 | Very low | 35.7 | Very low | 184 Ų | 184 | 164.7 Ų | 164.7 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 121.9 | 164.3 | -78.5 | -175.8 | 173 | 0 | 0 | 109.6 | K699 | K699-E701 PolarHBondContact O-N 2.81Š|
| 702 | A | 35.9 | Very low | 35.7 | Very low | 96 Ų | 96 | 163.7 Ų | 163.7 | 79% | 0.793 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E704 | A702-E704 PolarHBondContact O-N 2.85Š|
| 703 | N | 33.3 | Very low | 35.9 | Very low | 160 Ų | 160 | 167.7 Ų | 167.7 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | trans | -91.6 | 93.9 | -178.8 | -177.4 | 99.9 | 0 | 0 | 0 | 109.5 | ||||
| 704 | E | 38.9 | Very low | 36 | Very low | 179 Ų | 179 | 167.1 Ų | 167.1 | 84% | 0.836 | 84% | 0.84 | S | S | * | * | trans | -90.3 | 160.9 | 167 | -73.6 | -166.7 | 167.4 | 0 | 0 | 112 | A702 | A702-E704 PolarHBondContact O-N 2.85Š| ||
| 705 | E | 37.5 | Very low | 36.3 | Very low | 190 Ų | 190 | 164.1 Ų | 164.1 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -86.6 | 155.9 | -163.2 | -60.5 | 170.2 | 129.1 | 0 | 0 | 113 | ||||
| 706 | S | 35.1 | Very low | 36.7 | Very low | 111 Ų | 111 | 172.2 Ų | 172.2 | 78% | 0.776 | 86% | 0.859 | S | S | * | * | trans | -142.4 | 116.3 | 149 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 707 | E | 35.5 | Very low | 36.9 | Very low | 191 Ų | 191 | 169.7 Ų | 169.7 | 89% | 0.893 | 86% | 0.858 | S | S | * | * | trans | -63.6 | 142.1 | 164.8 | -58.9 | 175.4 | 118.7 | 0 | 0 | 109.2 | ||||
| 708 | E | 37.5 | Very low | 37 | Very low | 192 Ų | 192 | 168.7 Ų | 168.7 | 90% | 0.897 | 86% | 0.86 | S | S | * | * | trans | -126.2 | 147.5 | 164.1 | -95.2 | -170.3 | 165.2 | 0 | 0 | 110.4 | ||||
| 709 | E | 37.6 | Very low | 37.4 | Very low | 191 Ų | 191 | 168.2 Ų | 168.2 | 89% | 0.893 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 163.9 | -150.7 | -59.7 | -177.4 | 124.1 | 0 | 0 | 114.7 | S711 | E709-S711 PolarHBondContact O-N 2.84Š|
| 710 | K | 33.8 | Very low | 37.4 | Very low | 204 Ų | 204 | 166.9 Ų | 166.9 | 89% | 0.887 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 116.5 | 165.9 | -67.2 | 170.6 | 178.4 | 171.1 | 0 | 109.8 | ||
| 711 | S | 38.1 | Very low | 37.6 | Very low | 117 Ų | 117 | 167.5 Ų | 167.5 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 128.2 | 152.3 | 49.7 | 0 | 0 | 0 | 0 | 110 | E709 | E709-S711 PolarHBondContact O-N 2.84Š|
| 712 | V | 35.4 | Very low | 37.6 | Very low | 132 Ų | 132 | 166.4 Ų | 166.4 | 80% | 0.8 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 130 | 167.4 | 170.5 | 0 | 0 | 0 | 0 | 106.8 | ||
| 713 | E | 39.7 | Very low | 37.7 | Very low | 198 Ų | 198 | 171.4 Ų | 171.4 | 93% | 0.925 | 87% | 0.871 | S | S | * | * | trans | -137.6 | 118 | 170.1 | -138.2 | 166.6 | -153.6 | 0 | 0 | 108.6 | ||||
| 714 | E | 44.4 | Very low | 38 | Very low | 170 Ų | 170 | 172.3 Ų | 172.3 | 79% | 0.794 | 87% | 0.872 | S | S | * | * | trans | -134.2 | 138.6 | -177.4 | -173.8 | 175.4 | -139.6 | 0 | 0 | 108.2 | ||||
| 715 | S | 40.5 | Very low | 37.9 | Very low | 101 Ų | 101 | 171.8 Ų | 171.8 | 71% | 0.706 | 88% | 0.875 | S | S | * | * | trans | 71.6 | 100 | 174.5 | -52.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 716 | H | 40.1 | Very low | 38 | Very low | 264 Ų | 264 | 170.1 Ų | 170.1 | 100% | 1.222 | 87% | 0.874 | S | S | * | * | -151.6 | 0 | 99.4 | -110.3 | -50.1 | 0 | 0 | 0 | 113.3 |
Retrieved 716 of 716 residues in 227.6 ms
(Link to these results)