| 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 | 37.3 | Very low | 32.1 | Very low | 250 Ų | 250 | 163.3 Ų | 163.3 | 100% | 1.232 | 85% | 0.851 | S | S | * | * | 0 | 110.4 | 0 | -79 | 175.2 | 171.3 | 0 | 0 | 108.1 | |||||
| 2 | H | 30.3 | Very low | 31.6 | Very low | 192 Ų | 192 | 165.3 Ų | 165.3 | 89% | 0.889 | 86% | 0.862 | S | S | * | * | trans | -97.9 | 151.1 | 171.3 | -93.7 | -57.2 | 0 | 0 | 0 | 109.9 | ||||
| 3 | P | 38.4 | Very low | 31 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 77% | 0.766 | 85% | 0.853 | S | S | * | * | trans | -116.3 | 105.5 | 149.2 | 29.7 | -14.6 | 0 | 0 | 0 | 109.5 | ||||
| 4 | R | 34.7 | Very low | 30.5 | Very low | 241 Ų | 241 | 164.1 Ų | 164.1 | 91% | 0.909 | 86% | 0.86 | S | S | * | * | 68.5 | 105.5 | 95.9 | -75.6 | -169.2 | -179 | 161.9 | 1.5 | 115.6 | |||||
| 5 | R | 34.1 | Very low | 30.2 | Very low | 230 Ų | 230 | 169.4 Ų | 169.4 | 87% | 0.868 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 159.8 | 159 | -95.4 | -177.2 | 176.4 | 149.4 | -1.3 | 111.2 | ||
| 6 | P | 35.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 163.8 Ų | 163.8 | 81% | 0.805 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 139.4 | 145.6 | 2.7 | 18 | 0 | 0 | 0 | 111.7 | ||
| 7 | D | 31.7 | Very low | 29.3 | Very low | 158 Ų | 158 | 158.8 Ų | 158.8 | 85% | 0.845 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -77 | 160.8 | 177.1 | -58.7 | -62.2 | 0 | 0 | 0 | 112.9 | ||
| 8 | G | 29.2 | Very low | 29 | Very low | 83 Ų | 83 | 155.4 Ų | 155.4 | 86% | 0.856 | 86% | 0.856 | S | S | * | * | trans | 129.1 | 90.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 9 | F | 28.1 | Very low | 28.8 | Very low | 187 Ų | 187 | 159.1 Ų | 159.1 | 82% | 0.82 | 86% | 0.856 | S | S | * | * | trans | -102.3 | 125 | 163.9 | 177.8 | -88.5 | 0 | 0 | 0 | 107.5 | ||||
| 10 | D | 28.3 | Very low | 28.6 | Very low | 166 Ų | 166 | 157.6 Ų | 157.6 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | trans | -142.7 | 110.6 | 158.6 | -80 | -41.6 | 0 | 0 | 0 | 103.8 | ||||
| 11 | G | 25.2 | Very low | 28.4 | Very low | 47 Ų | 47 | 159.5 Ų | 159.5 | 49% | 0.485 | 85% | 0.851 | S | S | . | * | 93 | 114.6 | 57.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 12 | L | 26.5 | Very low | 27.7 | Very low | 187 Ų | 187 | 156.7 Ų | 156.7 | 98% | 0.979 | 84% | 0.835 | S | S | * | * | trans | 154.2 | 122.9 | 159.2 | -82.9 | 166.2 | 0 | 0 | 0 | 107.1 | ||||
| 13 | G | 23.8 | Very low | 27.2 | Very low | 73 Ų | 73 | 150.6 Ų | 150.6 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | cis | 132.1 | 106.9 | 21 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 14 | Y | 24.3 | Very low | 26.5 | Very low | 241 Ų | 241 | 155.4 Ų | 155.4 | 95% | 0.945 | 83% | 0.833 | S | S | * | * | trans | -84.7 | 126.3 | -178.6 | -141.6 | -91.6 | 0 | 0 | 0 | 110.8 | ||||
| 15 | R | 25 | Very low | 25.9 | Very low | 244 Ų | 244 | 147.8 Ų | 147.8 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | 176.7 | 133.4 | 157.4 | -116.6 | 178.6 | 173.2 | 172.5 | -2.2 | 107.3 | ||||
| 16 | G | 23 | Very low | 25.4 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | cis | 113.4 | 108.5 | 23.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | G | 22.9 | Very low | 24.8 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 132.2 | 111.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 18 | A | 22.8 | Very low | 24.4 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | 93.6 | 128.1 | 50.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 19 | R | 25.7 | Very low | 24.2 | Very low | 225 Ų | 225 | 141.7 Ų | 141.7 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | trans | 77.7 | 142.1 | 165.8 | -73.2 | -173.5 | 151.7 | 155.2 | -1.7 | 117.9 | ||||
| 20 | D | 24.3 | Very low | 23.9 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 68% | 0.684 | 82% | 0.816 | S | S | * | * | cis | -162.1 | 143.5 | 1.7 | -97.2 | -37.2 | 0 | 0 | 0 | 106.4 | ||||
| 21 | E | 25.1 | Very low | 23.6 | Very low | 199 Ų | 199 | 140.4 Ų | 140.4 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -163.6 | 118.7 | 138.8 | -114.6 | -177 | 159.7 | 0 | 0 | 111.7 | ||||
| 22 | Q | 21.9 | Very low | 23.4 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -71.3 | 150.3 | 161.2 | -62.9 | 161.2 | -6 | 0 | 0 | 107.2 | ||||
| 23 | G | 21.5 | Very low | 23.1 | Very low | 65 Ų | 65 | 143.9 Ų | 143.9 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | cis | 151.9 | 133.9 | 15.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 24 | F | 23.4 | Very low | 23 | Very low | 219 Ų | 219 | 146 Ų | 146 | 96% | 0.961 | 83% | 0.825 | S | S | * | * | trans | -155.7 | 117.2 | 157.1 | -119.7 | -82.1 | 0 | 0 | 0 | 109.4 | ||||
| 25 | G | 21.9 | Very low | 23.1 | Very low | 80 Ų | 80 | 141 Ų | 141 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -78.7 | 144.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 26 | G | 22.7 | Very low | 23 | Very low | 57 Ų | 57 | 132.4 Ų | 132.4 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | trans | -148.9 | 107.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | F28 | G26-F28 WeakPolarHBondContact O-CD2 3.21Å; G26-F28 PolarHBondContact O-N 3.46Å | ||
| 27 | A | 23.7 | Very low | 23.2 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | -66.4 | 117.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 28 | F | 23.6 | Very low | 23.5 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -116.9 | 129.7 | 165.8 | -72.5 | -80.8 | 0 | 0 | 0 | 108.7 | G26 A30 | G26-F28 WeakPolarHBondContact O-CD2 3.21Å; G26-F28 PolarHBondContact O-N 3.46Å; F28-A30 PolarHBondContact O-N 3.16Å | ||
| 29 | P | 23.9 | Very low | 23.7 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 125.2 | -179.8 | 26.1 | -31.6 | 0 | 0 | 0 | 109.8 | R31 | P29-R31 PolarHBondContact O-N 3.37Š| ||
| 30 | A | 22.7 | Very low | 23.7 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -58 | 102.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | F28 S32 | F28-A30 PolarHBondContact O-N 3.16Å; A30-S32 PolarHBondContact O-N 3.13Å | ||
| 31 | R | 21.5 | Very low | 23.9 | Very low | 223 Ų | 223 | 126.1 Ų | 126.1 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | -71.9 | 113.1 | 165.7 | -79.3 | -175 | 174.7 | 180 | -1.1 | 107.1 | P29 F33 | P29-R31 PolarHBondContact O-N 3.37Å; R31-F33 PolarHBondContact O-N 3.21Å; R31-F33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | S | 21 | Very low | 24 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -51.1 | 109.4 | 167.1 | 40.8 | 0 | 0 | 0 | 0 | 109.4 | A30 S34 | A30-S32 PolarHBondContact O-N 3.13Å; S32-S34 PolarHBondContact O-N 3.31Å; S32-S34 VanDerWaalsContact O-N 3.08Å | ||
| 33 | F | 20.5 | Very low | 24.4 | Very low | 192 Ų | 192 | 116.3 Ų | 116.3 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | trans | -65.6 | 107.4 | 159.8 | -77.7 | -86.5 | 0 | 0 | 0 | 106.4 | R31 T35 | R31-F33 PolarHBondContact O-N 3.21Å; R31-F33 VanDerWaalsContact O-N 3.08Å; F33-T35 VanDerWaalsContact C-N 3.26Å; F33-T35 PolarHBondContact O-N 3.12Å; F33-T35 PolarHBondContact O-OG1 3.15Å | ||
| 34 | S | 22.4 | Very low | 24.8 | Very low | 119 Ų | 119 | 114.5 Ų | 114.5 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | trans | -64.7 | 94.1 | 162.1 | 45.1 | 0 | 0 | 0 | 0 | 106.9 | S32 G36 | S32-S34 PolarHBondContact O-N 3.31Å; S32-S34 VanDerWaalsContact O-N 3.08Å; S34-G36 VanDerWaalsContact C-N 3.28Å; S34-G36 PolarHBondContact O-N 2.76Å | ||
| 35 | T | 24.7 | Very low | 25.2 | Very low | 134 Ų | 134 | 105.1 Ų | 105.1 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | trans | -69.7 | 88.5 | 176.7 | -19.4 | 0 | 0 | 0 | 0 | 108 | F33 A37 | F33-T35 VanDerWaalsContact C-N 3.26Å; F33-T35 PolarHBondContact O-N 3.12Å; F33-T35 PolarHBondContact O-OG1 3.15Å; T35-A37 PolarHBondContact O-N 3.19Å; T35-A37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | G | 23.8 | Very low | 25.4 | Very low | 65 Ų | 65 | 103.9 Ų | 103.9 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | trans | -63.3 | 106.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S34 D38 | S34-G36 VanDerWaalsContact C-N 3.28Å; S34-G36 PolarHBondContact O-N 2.76Å; G36-D38 VanDerWaalsContact C-N 3.32Å; G36-D38 PolarHBondContact O-N 2.73Å | ||
| 37 | A | 27 | Very low | 25.7 | Very low | 63 Ų | 63 | 105.2 Ų | 105.2 | 52% | 0.521 | 62% | 0.619 | S | S | . | * | trans | -77.2 | 82.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T35 F103 | T35-A37 PolarHBondContact O-N 3.19Å; T35-A37 VanDerWaalsContact O-N 3.14Å; A37-F103 HydrophobicContact CB-CD2 3.73Å; A37-F103 HydrophobicContact CB-CE2 3.63Å | ||
| 38 | D | 29.2 | Very low | 25.9 | Very low | 153 Ų | 153 | 106.2 Ų | 106.2 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -124.9 | 62.1 | 169 | -79.6 | -39.1 | 0 | 0 | 0 | 109.4 | G36 | G36-D38 VanDerWaalsContact C-N 3.32Å; G36-D38 PolarHBondContact O-N 2.73Å | ||
| 39 | L | 27.4 | Very low | 26.1 | Very low | 170 Ų | 170 | 103.4 Ų | 103.4 | 89% | 0.89 | 60% | 0.602 | S | S | * | * | trans | -129.9 | 96 | 172 | -101.9 | 121.9 | 0 | 0 | 0 | 111.1 | L110 | L39-L110 WeakPolarHBondContact O-CD1 3.22Š| ||
| 40 | G | 24.8 | Very low | 26 | Very low | 42 Ų | 42 | 104.2 Ų | 104.2 | 43% | 0.433 | 61% | 0.608 | S | S | . | * | trans | 135 | 112.4 | 149 | 0 | 0 | 0 | 0 | 0 | 112.1 | L110 | G40-L110 VanDerWaalsContact CA-CD1 3.48Å; G40-L110 WeakPolarHBondContact O-CD1 3.19Å; G40-L110 VanDerWaalsContact O-CD2 3.29Å; G40-L110 WeakPolarHBondContact O-CD2 3.49Å | ||
| 41 | H | 29.2 | Very low | 26.4 | Very low | 50 Ų | 50 | 102.3 Ų | 102.3 | 23% | 0.231 | 60% | 0.598 | C | S | . | * | trans | -165.9 | 137.4 | 139.8 | -139.5 | -78.3 | 0 | 0 | 0 | 108.1 | V43 E113 | H41-V43 VanDerWaalsContact C-N 3.26Å; H41-V43 HydrophobicContact CB-CB 4.36Å; H41-V43 HydrophobicContact CB-CG2 3.69Å; H41-V43 PolarHBondContact O-N 3.45Å; H41-E113 IonicContact CE1-OE1 2.63Å; H41-E113 IonicContact CE1-OE2 3.77Å | ||
| 42 | W | 28 | Very low | 26.7 | Very low | 139 Ų | 139 | 95.7 Ų | 95.7 | 53% | 0.527 | 59% | 0.586 | S | S | . | * | trans | -59.6 | 101 | 151 | -82.2 | 82.4 | 0 | 0 | 0 | 106.5 | Q170 | W42-Q170 HydrophobicContact CZ2-CG 3.7Å; W42-Q170 VanDerWaalsContact NE1-CD 3.31Å | ||
| 43 | V | 30 | Very low | 27.4 | Very low | 43 Ų | 43 | 101.5 Ų | 101.5 | 26% | 0.261 | 59% | 0.59 | S | S | . | * | trans | -134.8 | 100.5 | 173 | 163.8 | 0 | 0 | 0 | 0 | 107.6 | H41 T45 | H41-V43 VanDerWaalsContact C-N 3.26Å; H41-V43 HydrophobicContact CB-CB 4.36Å; H41-V43 HydrophobicContact CB-CG2 3.69Å; H41-V43 PolarHBondContact O-N 3.45Å; V43-T45 WeakPolarHBondContact CG1-O 3.17Å; V43-T45 PolarHBondContact O-N 2.86Å | ||
| 44 | T | 30.2 | Very low | 27.9 | Very low | 27 Ų | 27 | 99.2 Ų | 99.2 | 17% | 0.166 | 59% | 0.587 | C | S | . | * | S | Bend | trans | -45.3 | 102.7 | 131.3 | 43.4 | 0 | 0 | 0 | 0 | 112.1 | Y276 | T44-Y276 HydrophobicContact CG2-CD2 2.98Å; T44-Y276 HydrophobicContact CG2-CE2 3.73Å; T44-Y276 HydrophobicContact CG2-CG 3.46Å; T44-Y276 VanDerWaalsContact CG2-CG 3.46Å |
| 45 | T | 30.3 | Very low | 28.2 | Very low | 23 Ų | 23 | 100.4 Ų | 100.4 | 14% | 0.141 | 58% | 0.583 | C | S | . | * | S | Bend | trans | 67.3 | 117.7 | 174.9 | 46.8 | 0 | 0 | 0 | 0 | 119.8 | V43 H202 Y276 | V43-T45 WeakPolarHBondContact CG1-O 3.17Å; V43-T45 PolarHBondContact O-N 2.86Å; T45-H202 VanDerWaalsContact CG2-CE1 3.41Å; T45-H202 WeakPolarHBondContact CG2-CE1 3.29Å; T45-H202 VanDerWaalsContact CG2-NE2 3.29Å; T45-H202 WeakPolarHBondContact CG2-NE2 3.4Å; T45-Y276 HydrophobicContact CG2-CE2 4.35Å; T45-Y276 WeakPolarHBondContact CG2-OH 3.37Å |
| 46 | P | 27.4 | Very low | 28.4 | Very low | 54 Ų | 54 | 103 Ų | 103 | 35% | 0.351 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 151.2 | 177.1 | -21.8 | 27.7 | 0 | 0 | 0 | 115.5 | E189 | P46-E189 HydrophobicContact CB-CG 3.85Å; P46-E189 WeakPolarHBondContact CB-OE1 3.36Å; P46-E189 VanDerWaalsContact CD-CG 3.49Å; P46-E189 HydrophobicContact CG-CG 3.58Å; P46-E189 WeakPolarHBondContact CG-OE1 3.42Å |
| 47 | P | 27.5 | Very low | 28.8 | Very low | 84 Ų | 84 | 111.7 Ų | 111.7 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -83.5 | 141.4 | 165.1 | 31.1 | -29.4 | 0 | 0 | 0 | 112.6 | I49 | P47-I49 PolarHBondContact O-N 3.29Š|
| 48 | D | 29.2 | Very low | 29.2 | Very low | 128 Ų | 128 | 112.1 Ų | 112.1 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.2 | 177.3 | -74.7 | -58.3 | 0 | 0 | 0 | 113.3 | P50 | D48-P50 WeakPolarHBondContact O-CD 3.03Š|
| 49 | I | 26.7 | Very low | 29 | Very low | 129 Ų | 129 | 113.8 Ų | 113.8 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -75 | 125.4 | 171.2 | -58.8 | 170.9 | 0 | 0 | 0 | 110.3 | P47 G51 | P47-I49 PolarHBondContact O-N 3.29Å; I49-G51 PolarHBondContact O-N 3.05Å; I49-G51 VanDerWaalsContact O-N 3.14Å |
| 50 | P | 23.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 86% | 0.864 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 108.3 | 165.6 | -13.1 | 28.2 | 0 | 0 | 0 | 109.9 | D48 | D48-P50 WeakPolarHBondContact O-CD 3.03Š|
| 51 | G | 30.2 | Very low | 29.3 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.8 | -4.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | I49 R53 | I49-G51 PolarHBondContact O-N 3.05Å; I49-G51 VanDerWaalsContact O-N 3.14Å; G51-R53 PolarHBondContact O-N 3.44Å |
| 52 | S | 29.1 | Very low | 29.3 | Very low | 83 Ų | 83 | 121.7 Ų | 121.7 | 58% | 0.58 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -72.7 | 5.4 | -176.3 | 61.1 | 0 | 0 | 0 | 0 | 115.8 | N54 | S52-N54 VanDerWaalsContact C-N 3.27Å; S52-N54 PolarHBondContact O-N 2.93Å |
| 53 | R | 33.6 | Very low | 29.6 | Very low | 236 Ų | 236 | 121.1 Ų | 121.1 | 89% | 0.891 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -75.7 | -2 | 178.9 | -83.7 | -179.2 | 71.9 | 148.1 | -1.1 | 115.4 | G51 | G51-R53 PolarHBondContact O-N 3.44Š|
| 54 | N | 31.9 | Very low | 29.5 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -127.8 | 33.3 | -170.4 | -71.6 | -30.1 | 0 | 0 | 0 | 115.8 | S52 | S52-N54 VanDerWaalsContact C-N 3.27Å; S52-N54 PolarHBondContact O-N 2.93Å |
| 55 | L | 28.8 | Very low | 29.4 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | -115.6 | 30.3 | 177.9 | -89.3 | 152.3 | 0 | 0 | 0 | 114.9 | ||||
| 56 | H | 28.4 | Very low | 29.4 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -93.1 | 97.9 | 152.7 | -87.4 | -73.1 | 0 | 0 | 0 | 109.2 | G58 | H56-G58 PolarHBondContact O-N 3.35Å; H56-G58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | W | 32.6 | Very low | 29.5 | Very low | 248 Ų | 248 | 140.6 Ų | 140.6 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 100.9 | 161.4 | -89.3 | 91.7 | 0 | 0 | 0 | 108.1 | ||
| 58 | G | 34.4 | Very low | 29.4 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.9 | -24.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | H56 | H56-G58 PolarHBondContact O-N 3.35Å; H56-G58 VanDerWaalsContact O-N 3.13Å |
| 59 | E | 26.5 | Very low | 29.2 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -124.5 | 107.9 | -176.3 | -75.3 | -175.8 | 155.2 | 0 | 0 | 111.7 | S61 | E59-S61 PolarHBondContact O-N 3.5Š| ||
| 60 | K | 30.1 | Very low | 29.2 | Very low | 212 Ų | 212 | 143 Ų | 143 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | -69.2 | 106.3 | 164.7 | -72.3 | 179.8 | 178.5 | 178.5 | 0 | 108 | ||||
| 61 | S | 28.6 | Very low | 29.6 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 138.1 | 162.4 | 44.8 | 0 | 0 | 0 | 0 | 110.1 | E59 | E59-S61 PolarHBondContact O-N 3.5Š|
| 62 | P | 29.4 | Very low | 29.7 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 147.7 | -165.2 | 29.8 | -34.6 | 0 | 0 | 0 | 112.2 | Y64 | P62-Y64 PolarHBondContact O-N 2.92Š|
| 63 | P | 32.6 | Very low | 29.7 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 127.4 | 169.5 | 28 | -30.1 | 0 | 0 | 0 | 109.2 | G65 | P63-G65 PolarHBondContact O-N 3.19Å; P63-G65 VanDerWaalsContact O-N 3.16Å |
| 64 | Y | 29.6 | Very low | 29.5 | Very low | 233 Ų | 233 | 147.5 Ų | 147.5 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 118.9 | 169.4 | -108.1 | -98.4 | 0 | 0 | 0 | 109.6 | P62 | P62-Y64 PolarHBondContact O-N 2.92Š|
| 65 | G | 26.7 | Very low | 29.2 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P63 | P63-G65 PolarHBondContact O-N 3.19Å; P63-G65 VanDerWaalsContact O-N 3.16Å |
| 66 | V | 31.3 | Very low | 29.8 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 136 | 155.2 | -177.1 | 0 | 0 | 0 | 0 | 106.1 | T68 | V66-T68 PolarHBondContact O-N 2.98Š|
| 67 | P | 29.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.7 | -166.1 | -13.9 | 28 | 0 | 0 | 0 | 111.8 | ||
| 68 | T | 24.3 | Very low | 29.5 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 123.1 | 166.4 | 35.6 | 0 | 0 | 0 | 0 | 110.2 | V66 | V66-T68 PolarHBondContact O-N 2.98Š|
| 69 | T | 26.5 | Very low | 29.3 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -115.8 | 124.4 | 150.3 | 36.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 70 | S | 27 | Very low | 29.6 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -57.8 | 140.1 | 179.4 | 48.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 71 | T | 29.9 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | -174 | 144.9 | 124.8 | 28.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 72 | P | 33.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -92.1 | 158.6 | 179.5 | 36.9 | -30.6 | 0 | 0 | 0 | 111.7 | ||||
| 73 | Y | 29.1 | Very low | 29.6 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 168.2 | 130.1 | 134.8 | -104 | -88.1 | 0 | 0 | 0 | 113.4 | ||||
| 74 | E | 28.1 | Very low | 29.4 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | 49.2 | 131.3 | 144.3 | -80 | 172.6 | 169.1 | 0 | 0 | 125.1 | ||||
| 75 | G | 26 | Very low | 29.5 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 117.6 | 127.5 | 130.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 76 | P | 42 | Very low | 29.7 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -102.1 | 157.2 | -176.4 | 38.9 | -30.8 | 0 | 0 | 0 | 114 | ||||
| 77 | T | 26.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 132.2 | 142.3 | 165.8 | 55.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 78 | E | 28.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -165.3 | 144 | 22.6 | -122.1 | 160.4 | -158.1 | 0 | 0 | 106.5 | ||||
| 79 | E | 30.3 | Very low | 31.2 | Very low | 155 Ų | 155 | 121.4 Ų | 121.4 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | -69.4 | 153.7 | 158.1 | -72.4 | -164.1 | 156.9 | 0 | 0 | 109.4 | F81 | E79-F81 WeakPolarHBondContact OE2-CE2 3.33Š| ||
| 80 | P | 31.9 | Very low | 32 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | -138.7 | 142.3 | 104.1 | 28.8 | -12.1 | 0 | 0 | 0 | 114.3 | |||||
| 81 | F | 29.4 | Very low | 33.1 | Very low | 170 Ų | 170 | 119.9 Ų | 119.9 | 75% | 0.746 | 76% | 0.76 | S | S | * | * | trans | -34.1 | 130.8 | 161.9 | -85.5 | -107.3 | 0 | 0 | 0 | 113.9 | E79 | E79-F81 WeakPolarHBondContact OE2-CE2 3.33Š| ||
| 82 | S | 25.9 | Very low | 34 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -128.2 | 100.4 | 151.9 | -68.6 | 0 | 0 | 0 | 0 | 108.2 | G84 | S82-G84 PolarHBondContact O-N 2.89Š| ||
| 83 | T | 32.6 | Very low | 35.1 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | trans | -52.8 | 120.2 | 163 | 38.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 84 | G | 28 | Very low | 36.5 | Very low | 78 Ų | 78 | 111.3 Ų | 111.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -150.1 | 69.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S82 | S82-G84 PolarHBondContact O-N 2.89Š| ||
| 85 | G | 32 | Very low | 38.2 | Very low | 85 Ų | 85 | 107.8 Ų | 107.8 | 88% | 0.876 | 71% | 0.705 | S | S | * | * | trans | -73.3 | 146.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 86 | G | 32.2 | Very low | 40.1 | Very low | 85 Ų | 85 | 111 Ų | 111 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | trans | 150.4 | 9.5 | 166 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 87 | G | 33.9 | Very low | 41.3 | Very low | 71 Ų | 71 | 108.8 Ų | 108.8 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -106.8 | -15.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 88 | G | 36.8 | Very low | 43.1 | Very low | 51 Ų | 51 | 104 Ų | 104 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -86.5 | -22.4 | -160.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 89 | V | 44.2 | Very low | 45.2 | Very low | 125 Ų | 125 | 103.9 Ų | 103.9 | 76% | 0.758 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -92 | -32.1 | -166.7 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 90 | Q | 43.5 | Very low | 47.2 | Very low | 176 Ų | 176 | 103.8 Ų | 103.8 | 82% | 0.822 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.7 | -27.8 | -177 | -146.9 | 162.9 | 7 | 0 | 0 | 112.7 | S94 | Q90-S94 PolarHBondContact O-N 3.36Å; Q90-S94 PolarHBondContact O-OG 3Å |
| 91 | G | 50.1 | Low | 48.9 | Very low | 40 Ų | 40 | 98.6 Ų | 98.6 | 41% | 0.412 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.3 | -33.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | S94 E95 | G91-S94 PolarHBondContact O-OG 3.33Å; G91-S94 VanDerWaalsContact O-OG 3.05Å; G91-E95 WeakPolarHBondContact O-CB 3.45Å; G91-E95 PolarHBondContact O-N 2.63Å |
| 92 | Q | 50.4 | Low | 50.9 | Low | 137 Ų | 137 | 91.4 Ų | 91.4 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.7 | -39.8 | -179.7 | -74.3 | -176.3 | -18.8 | 0 | 0 | 113 | Q96 | Q92-Q96 WeakPolarHBondContact O-CG 3.25Å; Q92-Q96 PolarHBondContact O-N 2.88Å; Q92-Q96 VanDerWaalsContact O-N 3.14Å |
| 93 | S | 55.4 | Low | 53.4 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 52% | 0.517 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -42.5 | 178 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | Q96 L97 | S93-Q96 PolarHBondContact O-N 3.31Å; S93-L97 WeakPolarHBondContact O-CB 3.45Å; S93-L97 PolarHBondContact O-N 3.38Å; S93-L97 VanDerWaalsContact O-N 3.07Å |
| 94 | S | 58.8 | Low | 55.6 | Low | 48 Ų | 48 | 85.7 Ų | 85.7 | 34% | 0.336 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 176.5 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | Q90 G91 Q96 L97 N98 | Q90-S94 PolarHBondContact O-N 3.36Å; Q90-S94 PolarHBondContact O-OG 3Å; G91-S94 PolarHBondContact O-OG 3.33Å; G91-S94 VanDerWaalsContact O-OG 3.05Å; S94-Q96 PolarHBondContact O-N 3.05Å; S94-L97 PolarHBondContact O-N 3.42Å; S94-N98 WeakPolarHBondContact O-CB 3.38Å; S94-N98 PolarHBondContact O-N 2.92Å; S94-N98 PolarHBondContact O-ND2 2.74Å; S94-N98 PolarHBondContact O-OD1 2.9Å |
| 95 | E | 64.3 | Low | 57.9 | Low | 98 Ų | 98 | 82.7 Ų | 82.7 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 178.3 | -161.2 | -175.6 | 161.4 | 0 | 0 | 113.4 | G91 N98 R99 | G91-E95 WeakPolarHBondContact O-CB 3.45Å; G91-E95 PolarHBondContact O-N 2.63Å; E95-N98 PolarHBondContact O-N 3.34Å; E95-R99 WeakPolarHBondContact O-CG 3.46Å; E95-R99 PolarHBondContact O-N 3.46Å; E95-R99 VanDerWaalsContact O-N 3.1Å; E95-R99 IonicContact OE1-CZ 3.63Å; E95-R99 IonicContact OE1-NE 3.65Å; E95-R99 IonicContact OE1-NH2 3.67Å; E95-R99 PolarHBondContact OE1-NH2 2.89Å |
| 96 | Q | 66.5 | Low | 60.1 | Low | 142 Ų | 142 | 79.9 Ų | 79.9 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 174.2 | -73.6 | -179 | -24.9 | 0 | 0 | 112.3 | Q92 S93 S94 N98 R99 F100 | Q92-Q96 WeakPolarHBondContact O-CG 3.25Å; Q92-Q96 PolarHBondContact O-N 2.88Å; Q92-Q96 VanDerWaalsContact O-N 3.14Å; S93-Q96 PolarHBondContact O-N 3.31Å; S94-Q96 PolarHBondContact O-N 3.05Å; Q96-N98 PolarHBondContact O-N 3.14Å; Q96-R99 PolarHBondContact O-N 2.78Å; Q96-F100 WeakPolarHBondContact O-CB 3.32Å; Q96-F100 PolarHBondContact O-N 3.3Å |
| 97 | L | 65.8 | Low | 62.4 | Low | 73 Ų | 73 | 80.4 Ų | 80.4 | 38% | 0.382 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 175.4 | -152.6 | 99 | 0 | 0 | 0 | 111.3 | S93 S94 F100 A101 L414 | S93-L97 WeakPolarHBondContact O-CB 3.45Å; S93-L97 PolarHBondContact O-N 3.38Å; S93-L97 VanDerWaalsContact O-N 3.07Å; S94-L97 PolarHBondContact O-N 3.42Å; L97-F100 PolarHBondContact O-N 2.95Å; L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 3.24Å; L97-L414 HydrophobicContact CD2-CD2 4.3Å |
| 98 | N | 66.2 | Low | 64.7 | Low | 27 Ų | 27 | 78.4 Ų | 78.4 | 14% | 0.144 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.1 | -43 | 179.6 | -60.4 | -27.3 | 0 | 0 | 0 | 112.7 | S94 E95 Q96 F100 A101 G102 M309 | S94-N98 WeakPolarHBondContact O-CB 3.38Å; S94-N98 PolarHBondContact O-N 2.92Å; S94-N98 PolarHBondContact O-ND2 2.74Å; S94-N98 PolarHBondContact O-OD1 2.9Å; E95-N98 PolarHBondContact O-N 3.34Å; Q96-N98 PolarHBondContact O-N 3.14Å; N98-F100 VanDerWaalsContact C-N 3.33Å; N98-A101 PolarHBondContact O-N 3.47Å; N98-G102 PolarHBondContact O-N 3.33Å; N98-M309 HydrophobicContact CB-CE 4.02Å; N98-M309 HydrophobicContact CB-SD 3.92Å; N98-M309 WeakPolarHBondContact ND2-CE 3.36Å; N98-M309 WeakPolarHBondContact OD1-CE 3.38Å |
| 99 | R | 70.9 | Confident | 66.8 | Low | 170 Ų | 170 | 76.6 Ų | 76.6 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 175 | -68.5 | 177.9 | -172 | -163.7 | 3.8 | 111.2 | E95 Q96 A101 F103 | E95-R99 WeakPolarHBondContact O-CG 3.46Å; E95-R99 PolarHBondContact O-N 3.46Å; E95-R99 VanDerWaalsContact O-N 3.1Å; E95-R99 IonicContact OE1-CZ 3.63Å; E95-R99 IonicContact OE1-NE 3.65Å; E95-R99 IonicContact OE1-NH2 3.67Å; E95-R99 PolarHBondContact OE1-NH2 2.89Å; Q96-R99 PolarHBondContact O-N 2.78Å; R99-A101 VanDerWaalsContact C-N 3.32Å; R99-A101 PolarHBondContact O-N 2.98Å; R99-F103 WeakPolarHBondContact O-CB 3.46Å; R99-F103 PolarHBondContact O-N 3.2Å |
| 100 | F | 72.2 | Confident | 68.5 | Low | 153 Ų | 153 | 71.8 Ų | 71.8 | 67% | 0.671 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 176.5 | -167.9 | -97.6 | 0 | 0 | 0 | 111.9 | Q96 L97 N98 G104 | Q96-F100 WeakPolarHBondContact O-CB 3.32Å; Q96-F100 PolarHBondContact O-N 3.3Å; L97-F100 PolarHBondContact O-N 2.95Å; N98-F100 VanDerWaalsContact C-N 3.33Å; F100-G104 PolarHBondContact O-N 3.34Å |
| 101 | A | 69.1 | Low | 70.6 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -49.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 N98 R99 F103 G104 I105 Y410 | L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 3.24Å; N98-A101 PolarHBondContact O-N 3.47Å; R99-A101 VanDerWaalsContact C-N 3.32Å; R99-A101 PolarHBondContact O-N 2.98Å; A101-F103 VanDerWaalsContact C-N 3.31Å; A101-F103 PolarHBondContact O-N 2.86Å; A101-G104 PolarHBondContact O-N 2.85Å; A101-I105 WeakPolarHBondContact O-CB 3.39Å; A101-I105 WeakPolarHBondContact O-CD1 3.41Å; A101-I105 WeakPolarHBondContact O-CG1 3.07Å; A101-I105 PolarHBondContact O-N 3.49Å; A101-Y410 HydrophobicContact CB-CD2 4.04Å; A101-Y410 HydrophobicContact CB-CE1 4.43Å; A101-Y410 HydrophobicContact CB-CE2 3.17Å; A101-Y410 VanDerWaalsContact CB-CZ 3.41Å; A101-Y410 WeakPolarHBondContact CB-OH 3.37Å |
| 102 | G | 71.3 | Confident | 72.4 | Confident | 19 Ų | 19 | 67 Ų | 67 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N98 I105 G106 | N98-G102 PolarHBondContact O-N 3.33Å; G102-I105 PolarHBondContact O-N 3.02Å; G102-G106 PolarHBondContact O-N 3.12Å |
| 103 | F | 77.1 | Confident | 74 | Confident | 105 Ų | 105 | 62 Ų | 62 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 174.4 | 175.1 | -103.3 | 0 | 0 | 0 | 112.5 | A37 R99 A101 I105 G106 L107 | A37-F103 HydrophobicContact CB-CD2 3.73Å; A37-F103 HydrophobicContact CB-CE2 3.63Å; R99-F103 WeakPolarHBondContact O-CB 3.46Å; R99-F103 PolarHBondContact O-N 3.2Å; A101-F103 VanDerWaalsContact C-N 3.31Å; A101-F103 PolarHBondContact O-N 2.86Å; F103-I105 VanDerWaalsContact C-N 3.35Å; F103-I105 PolarHBondContact O-N 3.47Å; F103-G106 PolarHBondContact O-N 3.35Å; F103-L107 HydrophobicContact CE1-CD2 4.36Å; F103-L107 HydrophobicContact CZ-CD2 4.46Å; F103-L107 WeakPolarHBondContact O-CB 3.33Å; F103-L107 PolarHBondContact O-N 3.49Å |
| 104 | G | 78.2 | Confident | 75.4 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | F100 A101 A108 | F100-G104 PolarHBondContact O-N 3.34Å; A101-G104 PolarHBondContact O-N 2.85Å; G104-A108 VanDerWaalsContact O-CB 3.31Å; G104-A108 WeakPolarHBondContact O-CB 3.29Å; G104-A108 PolarHBondContact O-N 2.73Å |
| 105 | I | 77.8 | Confident | 76.9 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176.8 | -66.5 | 165.8 | 0 | 0 | 0 | 110.9 | A101 G102 F103 A108 S109 F314 L317 T406 Y410 | A101-I105 WeakPolarHBondContact O-CB 3.39Å; A101-I105 WeakPolarHBondContact O-CD1 3.41Å; A101-I105 WeakPolarHBondContact O-CG1 3.07Å; A101-I105 PolarHBondContact O-N 3.49Å; G102-I105 PolarHBondContact O-N 3.02Å; F103-I105 VanDerWaalsContact C-N 3.35Å; F103-I105 PolarHBondContact O-N 3.47Å; I105-A108 PolarHBondContact O-N 3.42Å; I105-S109 PolarHBondContact O-N 3.21Å; I105-F314 HydrophobicContact CD1-CE2 4.12Å; I105-F314 HydrophobicContact CD1-CZ 4.49Å; I105-L317 HydrophobicContact CG2-CD1 3.22Å; I105-L317 HydrophobicContact CG2-CD2 4.48Å; I105-L317 HydrophobicContact CG2-CG 4.44Å; I105-T406 HydrophobicContact CG1-CG2 3.83Å; I105-T406 HydrophobicContact CG2-CG2 4.44Å; I105-Y410 HydrophobicContact CD1-CD1 4.47Å |
| 106 | G | 77.4 | Confident | 78.2 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G102 F103 A108 S109 L110 | G102-G106 PolarHBondContact O-N 3.12Å; F103-G106 PolarHBondContact O-N 3.35Å; G106-A108 PolarHBondContact O-N 3.02Å; G106-S109 WeakPolarHBondContact O-CB 3.41Å; G106-S109 PolarHBondContact O-N 3.17Å; G106-L110 WeakPolarHBondContact O-CG 3.31Å; G106-L110 PolarHBondContact O-N 3.49Å |
| 107 | L | 81.2 | Confident | 79.5 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.4 | -174.1 | 67 | 0 | 0 | 0 | 112.3 | F103 S109 L110 F111 | F103-L107 HydrophobicContact CE1-CD2 4.36Å; F103-L107 HydrophobicContact CZ-CD2 4.46Å; F103-L107 WeakPolarHBondContact O-CB 3.33Å; F103-L107 PolarHBondContact O-N 3.49Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-L110 PolarHBondContact O-N 3.01Å; L107-F111 WeakPolarHBondContact O-CB 3.48Å; L107-F111 PolarHBondContact O-N 3.33Å |
| 108 | A | 81.3 | Confident | 80.8 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G104 I105 G106 T112 | G104-A108 VanDerWaalsContact O-CB 3.31Å; G104-A108 WeakPolarHBondContact O-CB 3.29Å; G104-A108 PolarHBondContact O-N 2.73Å; I105-A108 PolarHBondContact O-N 3.42Å; G106-A108 PolarHBondContact O-N 3.02Å; A108-T112 VanDerWaalsContact O-CB 3.31Å; A108-T112 WeakPolarHBondContact O-CB 3.44Å; A108-T112 PolarHBondContact O-N 3.17Å; A108-T112 PolarHBondContact O-OG1 3.45Å |
| 109 | S | 81.1 | Confident | 82.2 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 174.2 | -159.1 | 0 | 0 | 0 | 0 | 110.7 | I105 G106 L107 F111 T112 E113 | I105-S109 PolarHBondContact O-N 3.21Å; G106-S109 WeakPolarHBondContact O-CB 3.41Å; G106-S109 PolarHBondContact O-N 3.17Å; L107-S109 VanDerWaalsContact C-N 3.34Å; S109-F111 PolarHBondContact O-N 3.43Å; S109-T112 WeakPolarHBondContact O-CB 3.1Å; S109-T112 PolarHBondContact O-N 2.93Å; S109-T112 VanDerWaalsContact O-N 3.13Å; S109-E113 WeakPolarHBondContact O-CG 3.23Å; S109-E113 PolarHBondContact O-N 3.22Å |
| 110 | L | 80.6 | Confident | 83.4 | Confident | 24 Ų | 24 | 37.9 Ų | 37.9 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | -179.3 | -69.5 | 164.9 | 0 | 0 | 0 | 113.5 | L39 G40 G106 L107 T112 E113 N114 | L39-L110 WeakPolarHBondContact O-CD1 3.22Å; G40-L110 VanDerWaalsContact CA-CD1 3.48Å; G40-L110 WeakPolarHBondContact O-CD1 3.19Å; G40-L110 VanDerWaalsContact O-CD2 3.29Å; G40-L110 WeakPolarHBondContact O-CD2 3.49Å; G106-L110 WeakPolarHBondContact O-CG 3.31Å; G106-L110 PolarHBondContact O-N 3.49Å; L107-L110 PolarHBondContact O-N 3.01Å; L110-T112 VanDerWaalsContact C-N 3.26Å; L110-T112 PolarHBondContact O-N 2.98Å; L110-E113 PolarHBondContact O-N 3.42Å; L110-N114 WeakPolarHBondContact O-CB 3.48Å; L110-N114 PolarHBondContact O-N 3.05Å; L110-N114 PolarHBondContact O-ND2 3.2Å |
| 111 | F | 86.9 | Confident | 84.5 | Confident | 111 Ų | 111 | 32.1 Ų | 32.1 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 176.2 | -177.1 | -93.5 | 0 | 0 | 0 | 110.7 | L107 S109 V115 L116 | L107-F111 WeakPolarHBondContact O-CB 3.48Å; L107-F111 PolarHBondContact O-N 3.33Å; S109-F111 PolarHBondContact O-N 3.43Å; F111-V115 HydrophobicContact CD2-CB 3.87Å; F111-V115 HydrophobicContact CD2-CG1 4.27Å; F111-V115 HydrophobicContact CD2-CG2 3.85Å; F111-V115 HydrophobicContact CE1-CB 4.48Å; F111-V115 HydrophobicContact CE2-CB 3.75Å; F111-V115 HydrophobicContact CE2-CG1 3.63Å; F111-V115 HydrophobicContact CE2-CG2 3.99Å; F111-V115 HydrophobicContact CG-CB 4.3Å; F111-V115 HydrophobicContact CZ-CB 4.07Å; F111-V115 HydrophobicContact CZ-CG1 3.76Å; F111-V115 WeakPolarHBondContact O-CA 3.27Å; F111-V115 VanDerWaalsContact O-CB 3.29Å; F111-V115 WeakPolarHBondContact O-CB 3.18Å; F111-V115 PolarHBondContact O-N 3.29Å; F111-L116 HydrophobicContact CE1-CB 4.47Å; F111-L116 HydrophobicContact CE1-CD1 4.37Å; F111-L116 PolarHBondContact O-N 3.37Å |
| 112 | T | 87.5 | Confident | 85.7 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -66 | -48.4 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | A108 S109 L110 L116 A117 H399 V402 | A108-T112 VanDerWaalsContact O-CB 3.31Å; A108-T112 WeakPolarHBondContact O-CB 3.44Å; A108-T112 PolarHBondContact O-N 3.17Å; A108-T112 PolarHBondContact O-OG1 3.45Å; S109-T112 WeakPolarHBondContact O-CB 3.1Å; S109-T112 PolarHBondContact O-N 2.93Å; S109-T112 VanDerWaalsContact O-N 3.13Å; L110-T112 VanDerWaalsContact C-N 3.26Å; L110-T112 PolarHBondContact O-N 2.98Å; T112-L116 HydrophobicContact CG2-CD2 4.04Å; T112-A117 VanDerWaalsContact O-CB 3.27Å; T112-A117 WeakPolarHBondContact O-CB 3.23Å; T112-A117 PolarHBondContact O-N 3.01Å; T112-H399 HydrophobicContact CG2-CB 4.1Å; T112-H399 VanDerWaalsContact CG2-CD2 3.5Å; T112-H399 WeakPolarHBondContact CG2-CD2 3.4Å; T112-V402 HydrophobicContact CG2-CB 4.1Å; T112-V402 HydrophobicContact CG2-CG2 3.99Å; T112-V402 WeakPolarHBondContact OG1-CG1 3.42Å |
| 113 | E | 83.8 | Confident | 86.8 | Confident | 32 Ų | 32 | 30.7 Ų | 30.7 | 15% | 0.15 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -66.8 | -39.1 | -178.3 | -71.6 | 179.2 | 171.2 | 0 | 0 | 113.2 | H41 S109 L110 H399 | H41-E113 IonicContact CE1-OE1 2.63Å; H41-E113 IonicContact CE1-OE2 3.77Å; S109-E113 WeakPolarHBondContact O-CG 3.23Å; S109-E113 PolarHBondContact O-N 3.22Å; L110-E113 PolarHBondContact O-N 3.42Å; E113-H399 IonicContact OE1-CE1 3Å; E113-H399 PolarHBondContact OE1-CE1 2.97Å; E113-H399 VanDerWaalsContact OE1-CE1 3.29Å; E113-H399 IonicContact OE1-NE2 2.76Å |
| 114 | N | 85.6 | Confident | 87.7 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -103.5 | -29.3 | -170 | -61.3 | -71.4 | 0 | 0 | 0 | 114 | L110 M163 F167 Q170 | L110-N114 WeakPolarHBondContact O-CB 3.48Å; L110-N114 PolarHBondContact O-N 3.05Å; L110-N114 PolarHBondContact O-ND2 3.2Å; N114-M163 WeakPolarHBondContact O-CE 3.44Å; N114-F167 HydrophobicContact CB-CE1 3.69Å; N114-F167 HydrophobicContact CB-CZ 3.83Å; N114-Q170 PolarHBondContact OD1-NE2 3.35Å |
| 115 | V | 91.1 | Very high | 88.5 | Confident | 36 Ų | 36 | 26.4 Ų | 26.4 | 22% | 0.218 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -106.4 | -54.1 | -175.9 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | F111 H118 W160 M163 F167 | F111-V115 HydrophobicContact CD2-CB 3.87Å; F111-V115 HydrophobicContact CD2-CG1 4.27Å; F111-V115 HydrophobicContact CD2-CG2 3.85Å; F111-V115 HydrophobicContact CE1-CB 4.48Å; F111-V115 HydrophobicContact CE2-CB 3.75Å; F111-V115 HydrophobicContact CE2-CG1 3.63Å; F111-V115 HydrophobicContact CE2-CG2 3.99Å; F111-V115 HydrophobicContact CG-CB 4.3Å; F111-V115 HydrophobicContact CZ-CB 4.07Å; F111-V115 HydrophobicContact CZ-CG1 3.76Å; F111-V115 WeakPolarHBondContact O-CA 3.27Å; F111-V115 VanDerWaalsContact O-CB 3.29Å; F111-V115 WeakPolarHBondContact O-CB 3.18Å; F111-V115 PolarHBondContact O-N 3.29Å; V115-H118 WeakPolarHBondContact O-CB 3.44Å; V115-H118 PolarHBondContact O-N 3.49Å; V115-W160 PolarHBondContact O-NE1 3.32Å; V115-M163 HydrophobicContact CB-CE 4.12Å; V115-M163 HydrophobicContact CG1-CE 3.97Å; V115-M163 HydrophobicContact CG2-CE 4.18Å; V115-F167 HydrophobicContact CG2-CZ 4.15Å |
| 116 | L | 91.9 | Very high | 89.3 | Confident | 58 Ų | 58 | 25.7 Ų | 25.7 | 30% | 0.304 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -70.7 | -38.5 | -174.6 | -161.6 | 79.1 | 0 | 0 | 0 | 111.9 | F111 T112 P119 L398 V402 | F111-L116 HydrophobicContact CE1-CB 4.47Å; F111-L116 HydrophobicContact CE1-CD1 4.37Å; F111-L116 PolarHBondContact O-N 3.37Å; T112-L116 HydrophobicContact CG2-CD2 4.04Å; L116-P119 WeakPolarHBondContact O-CD 3.33Å; L116-L398 HydrophobicContact CB-CD2 4.41Å; L116-L398 HydrophobicContact CD2-CD1 3.74Å; L116-L398 HydrophobicContact CD2-CD2 3.63Å; L116-L398 HydrophobicContact CD2-CG 3.53Å; L116-L398 HydrophobicContact CG-CD1 4.43Å; L116-L398 HydrophobicContact CG-CD2 3.62Å; L116-L398 HydrophobicContact CG-CG 4.12Å; L116-V402 HydrophobicContact CD2-CG2 3.75Å |
| 117 | A | 92.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -80.1 | -12.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T112 P119 C120 I121 Q395 | T112-A117 VanDerWaalsContact O-CB 3.27Å; T112-A117 WeakPolarHBondContact O-CB 3.23Å; T112-A117 PolarHBondContact O-N 3.01Å; A117-P119 VanDerWaalsContact C-CD 3.48Å; A117-C120 WeakPolarHBondContact O-CA 3.26Å; A117-C120 VanDerWaalsContact O-CB 3.29Å; A117-C120 WeakPolarHBondContact O-CB 3.48Å; A117-C120 PolarHBondContact O-N 3.14Å; A117-I121 PolarHBondContact O-N 3.4Å; A117-Q395 HydrophobicContact CB-CG 3.9Å |
| 118 | H | 94.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.3 | -40.5 | -173.6 | -165 | 84.5 | 0 | 0 | 0 | 114.7 | V115 C120 I121 V122 K161 M163 | V115-H118 WeakPolarHBondContact O-CB 3.44Å; V115-H118 PolarHBondContact O-N 3.49Å; H118-C120 PolarHBondContact O-N 3Å; H118-I121 WeakPolarHBondContact O-CB 3.45Å; H118-I121 PolarHBondContact O-N 3.21Å; H118-V122 WeakPolarHBondContact NE2-CG2 3.3Å; H118-V122 PolarHBondContact O-N 3.43Å; H118-K161 PolarHBondContact NE2-O 3.44Å; H118-M163 HydrophobicContact CB-CE 3.75Å; H118-M163 VanDerWaalsContact CE1-CA 3.49Å; H118-M163 WeakPolarHBondContact CE1-CA 3.28Å |
| 119 | P | 95.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 3% | 0.032 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55 | -37.1 | 172.8 | -30.2 | 39.2 | 0 | 0 | 0 | 114 | L116 A117 L123 M147 L159 W160 | L116-P119 WeakPolarHBondContact O-CD 3.33Å; A117-P119 VanDerWaalsContact C-CD 3.48Å; P119-L123 WeakPolarHBondContact O-CB 3.36Å; P119-L123 PolarHBondContact O-N 3.36Å; P119-L123 VanDerWaalsContact O-N 3.08Å; P119-M147 HydrophobicContact CB-CE 3.69Å; P119-L159 WeakPolarHBondContact CA-O 3.3Å; P119-L159 HydrophobicContact CB-CB 3.98Å; P119-L159 HydrophobicContact CG-CB 4.11Å; P119-W160 HydrophobicContact CG-CD2 4.01Å; P119-W160 HydrophobicContact CG-CE3 4.03Å; P119-W160 HydrophobicContact CG-CH2 3.45Å; P119-W160 VanDerWaalsContact CG-CH2 3.45Å; P119-W160 HydrophobicContact CG-CZ2 3.4Å; P119-W160 HydrophobicContact CG-CZ3 3.76Å |
| 120 | C | 95.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.02 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -71.2 | -39 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | A117 H118 L123 R124 A391 Q395 | A117-C120 WeakPolarHBondContact O-CA 3.26Å; A117-C120 VanDerWaalsContact O-CB 3.29Å; A117-C120 WeakPolarHBondContact O-CB 3.48Å; A117-C120 PolarHBondContact O-N 3.14Å; H118-C120 PolarHBondContact O-N 3Å; C120-L123 PolarHBondContact O-N 3.13Å; C120-R124 WeakPolarHBondContact O-CB 3.5Å; C120-R124 PolarHBondContact O-N 3.12Å; C120-A391 HydrophobicContact CB-CB 4.41Å; C120-A391 WeakPolarHBondContact CB-O 3.41Å; C120-Q395 HydrophobicContact CB-CB 3.73Å |
| 121 | I | 93.9 | Very high | 92.4 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 16% | 0.159 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 175.8 | -61.2 | 174.1 | 0 | 0 | 0 | 110.4 | A117 H118 R124 R125 | A117-I121 PolarHBondContact O-N 3.4Å; H118-I121 WeakPolarHBondContact O-CB 3.45Å; H118-I121 PolarHBondContact O-N 3.21Å; I121-R124 PolarHBondContact O-N 3.45Å; I121-R125 WeakPolarHBondContact O-CB 3.29Å; I121-R125 VanDerWaalsContact O-CG 3.28Å; I121-R125 WeakPolarHBondContact O-CG 3.27Å; I121-R125 PolarHBondContact O-N 3.29Å |
| 122 | V | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.1 | -50.9 | 178 | 166 | 0 | 0 | 0 | 0 | 110.7 | H118 R125 Q126 K161 | H118-V122 WeakPolarHBondContact NE2-CG2 3.3Å; H118-V122 PolarHBondContact O-N 3.43Å; V122-R125 PolarHBondContact O-N 2.87Å; V122-Q126 HydrophobicContact CG1-CG 4.47Å; V122-Q126 VanDerWaalsContact O-CG 3.29Å; V122-Q126 WeakPolarHBondContact O-CG 2.95Å; V122-Q126 PolarHBondContact O-N 2.85Å; V122-K161 HydrophobicContact CG1-CD 4.27Å; V122-K161 HydrophobicContact CG1-CG 3.88Å; V122-K161 HydrophobicContact CG2-CG 4.14Å |
| 123 | L | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | -178.3 | -79.4 | 172.6 | 0 | 0 | 0 | 113.5 | P119 C120 R125 Q126 C127 V143 I146 M147 F150 L159 | P119-L123 WeakPolarHBondContact O-CB 3.36Å; P119-L123 PolarHBondContact O-N 3.36Å; P119-L123 VanDerWaalsContact O-N 3.08Å; C120-L123 PolarHBondContact O-N 3.13Å; L123-R125 VanDerWaalsContact C-N 3.35Å; L123-Q126 PolarHBondContact O-N 2.87Å; L123-C127 PolarHBondContact O-N 3.38Å; L123-C127 PolarHBondContact O-SG 3.34Å; L123-V143 HydrophobicContact CD1-CG1 3.99Å; L123-I146 HydrophobicContact CD2-CG2 3.87Å; L123-M147 HydrophobicContact CD1-CB 4.14Å; L123-M147 HydrophobicContact CD1-CG 3.01Å; L123-M147 HydrophobicContact CD1-SD 4.1Å; L123-M147 HydrophobicContact CG-CG 4.49Å; L123-F150 HydrophobicContact CD2-CD2 3.66Å; L123-F150 HydrophobicContact CD2-CE2 3.45Å; L123-F150 VanDerWaalsContact CD2-CE2 3.45Å; L123-F150 HydrophobicContact CD2-CZ 4.4Å; L123-L159 HydrophobicContact CD1-CD2 4.27Å |
| 124 | R | 95.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 4% | 0.038 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.6 | -53.6 | 172.3 | -179.9 | -171.2 | 178.7 | 176.5 | -0.1 | 110 | C120 I121 Q126 C127 Q128 D328 Y332 E335 A391 V392 | C120-R124 WeakPolarHBondContact O-CB 3.5Å; C120-R124 PolarHBondContact O-N 3.12Å; I121-R124 PolarHBondContact O-N 3.45Å; R124-Q126 VanDerWaalsContact C-N 3.34Å; R124-Q126 PolarHBondContact O-N 2.91Å; R124-C127 PolarHBondContact O-N 3.3Å; R124-Q128 VanDerWaalsContact O-CG 3.28Å; R124-Q128 WeakPolarHBondContact O-CG 3.25Å; R124-Q128 PolarHBondContact O-N 3.37Å; R124-Q128 PolarHBondContact O-OE1 3.23Å; R124-D328 IonicContact NH1-OD2 2.86Å; R124-Y332 HydrophobicContact CG-CE2 4.18Å; R124-Y332 VanDerWaalsContact NH2-CE2 3.34Å; R124-E335 IonicContact CZ-OE1 3.57Å; R124-E335 IonicContact CZ-OE2 2.67Å; R124-E335 VanDerWaalsContact CZ-OE2 3.23Å; R124-E335 IonicContact NE-OE1 3.44Å; R124-E335 PolarHBondContact NE-OE1 3.38Å; R124-E335 IonicContact NH1-OE1 3.35Å; R124-E335 IonicContact NH1-OE2 3.86Å; R124-E335 IonicContact NH2-OE1 2.73Å; R124-E335 PolarHBondContact NH2-OE1 3.4Å; R124-E335 IonicContact NH2-OE2 3.56Å; R124-E335 PolarHBondContact NH2-OE2 2.95Å; R124-A391 HydrophobicContact CB-CB 4Å; R124-V392 HydrophobicContact CG-CG2 4.37Å |
| 125 | R | 95.6 | Very high | 93 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 14% | 0.136 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 180 | -71.8 | 173.3 | 176.4 | 175.9 | 5.7 | 111.7 | I121 V122 L123 C127 Q128 V129 L221 T224 V225 | I121-R125 WeakPolarHBondContact O-CB 3.29Å; I121-R125 VanDerWaalsContact O-CG 3.28Å; I121-R125 WeakPolarHBondContact O-CG 3.27Å; I121-R125 PolarHBondContact O-N 3.29Å; V122-R125 PolarHBondContact O-N 2.87Å; L123-R125 VanDerWaalsContact C-N 3.35Å; R125-C127 PolarHBondContact O-N 3.07Å; R125-Q128 PolarHBondContact O-N 3.07Å; R125-V129 WeakPolarHBondContact O-CG2 3.48Å; R125-V129 PolarHBondContact O-N 3.29Å; R125-V129 VanDerWaalsContact O-N 3.11Å; R125-L221 HydrophobicContact CB-CD1 4.4Å; R125-L221 HydrophobicContact CG-CD1 4.17Å; R125-T224 WeakPolarHBondContact CD-OG1 3.29Å; R125-T224 PolarHBondContact NH1-OG1 3.35Å; R125-V225 HydrophobicContact CB-CG1 3.58Å |
| 126 | Q | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 175.2 | -73.7 | -70.8 | 51.8 | 0 | 0 | 112.5 | V122 L123 R124 Q128 V129 N130 V225 D351 T353 | V122-Q126 HydrophobicContact CG1-CG 4.47Å; V122-Q126 VanDerWaalsContact O-CG 3.29Å; V122-Q126 WeakPolarHBondContact O-CG 2.95Å; V122-Q126 PolarHBondContact O-N 2.85Å; L123-Q126 PolarHBondContact O-N 2.87Å; R124-Q126 VanDerWaalsContact C-N 3.34Å; R124-Q126 PolarHBondContact O-N 2.91Å; Q126-Q128 PolarHBondContact O-N 3.06Å; Q126-V129 WeakPolarHBondContact O-CG2 3.27Å; Q126-V129 PolarHBondContact O-N 3Å; Q126-N130 WeakPolarHBondContact O-CB 3.32Å; Q126-N130 PolarHBondContact O-N 3.49Å; Q126-N130 VanDerWaalsContact O-N 3.07Å; Q126-V225 PolarHBondContact NE2-O 2.98Å; Q126-V225 VanDerWaalsContact OE1-CA 3.23Å; Q126-V225 PolarHBondContact OE1-O 2.91Å; Q126-D351 PolarHBondContact NE2-OD2 3.14Å; Q126-T353 HydrophobicContact CB-CG2 3.83Å |
| 127 | C | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | L123 R124 R125 V129 N130 K387 G388 | L123-C127 PolarHBondContact O-N 3.38Å; L123-C127 PolarHBondContact O-SG 3.34Å; R124-C127 PolarHBondContact O-N 3.3Å; R125-C127 PolarHBondContact O-N 3.07Å; C127-V129 VanDerWaalsContact C-N 3.32Å; C127-V129 PolarHBondContact O-N 3.44Å; C127-N130 PolarHBondContact O-N 3.25Å; C127-K387 HydrophobicContact CB-CB 4.36Å; C127-K387 WeakPolarHBondContact O-CB 3.39Å; C127-G388 VanDerWaalsContact CB-CA 3.44Å |
| 128 | Q | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | -178.7 | -73.6 | 170.2 | -40.5 | 0 | 0 | 112.5 | R124 R125 Q126 Y332 T336 H339 R340 K387 | R124-Q128 VanDerWaalsContact O-CG 3.28Å; R124-Q128 WeakPolarHBondContact O-CG 3.25Å; R124-Q128 PolarHBondContact O-N 3.37Å; R124-Q128 PolarHBondContact O-OE1 3.23Å; R125-Q128 PolarHBondContact O-N 3.07Å; Q126-Q128 PolarHBondContact O-N 3.06Å; Q128-Y332 HydrophobicContact CG-CE1 4.21Å; Q128-T336 HydrophobicContact CB-CG2 4.18Å; Q128-T336 HydrophobicContact CG-CG2 4.32Å; Q128-T336 WeakPolarHBondContact CG-OG1 3.47Å; Q128-T336 PolarHBondContact NE2-OG1 3.49Å; Q128-H339 PolarHBondContact OE1-CE1 3.18Å; Q128-H339 PolarHBondContact OE1-ND1 2.92Å; Q128-R340 PolarHBondContact O-NE 3.39Å; Q128-R340 PolarHBondContact O-NH2 2.7Å; Q128-K387 VanDerWaalsContact CG-O 3.29Å; Q128-K387 WeakPolarHBondContact CG-O 3.49Å |
| 129 | V | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -87.4 | -12.9 | 180 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | R125 Q126 C127 Y131 V225 H339 I343 I350 I362 | R125-V129 WeakPolarHBondContact O-CG2 3.48Å; R125-V129 PolarHBondContact O-N 3.29Å; R125-V129 VanDerWaalsContact O-N 3.11Å; Q126-V129 WeakPolarHBondContact O-CG2 3.27Å; Q126-V129 PolarHBondContact O-N 3Å; C127-V129 VanDerWaalsContact C-N 3.32Å; C127-V129 PolarHBondContact O-N 3.44Å; V129-Y131 PolarHBondContact O-N 3.08Å; V129-V225 HydrophobicContact CG2-CB 4.25Å; V129-V225 HydrophobicContact CG2-CG1 4.22Å; V129-H339 HydrophobicContact CG1-CB 3.93Å; V129-I343 HydrophobicContact CB-CG2 4.23Å; V129-I343 HydrophobicContact CG1-CG2 3.95Å; V129-I350 HydrophobicContact CG2-CD1 4.17Å; V129-I350 HydrophobicContact CG2-CG2 4.06Å; V129-I362 HydrophobicContact CB-CD1 4.24Å; V129-I362 HydrophobicContact CG2-CD1 4.19Å; V129-I362 WeakPolarHBondContact O-CD1 3.49Å |
| 130 | N | 93.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | trans | -74.8 | 90.5 | 177.2 | -172.4 | 1.3 | 0 | 0 | 0 | 111.4 | Q126 C127 H132 A133 I350 T353 K387 | Q126-N130 WeakPolarHBondContact O-CB 3.32Å; Q126-N130 PolarHBondContact O-N 3.49Å; Q126-N130 VanDerWaalsContact O-N 3.07Å; C127-N130 PolarHBondContact O-N 3.25Å; N130-H132 PolarHBondContact O-N 3.32Å; N130-H132 PolarHBondContact OD1-N 3.05Å; N130-A133 HydrophobicContact CB-CB 4.18Å; N130-A133 WeakPolarHBondContact O-CB 3.32Å; N130-A133 PolarHBondContact O-N 2.7Å; N130-A133 PolarHBondContact OD1-N 2.69Å; N130-I350 HydrophobicContact CB-CD1 3.81Å; N130-T353 PolarHBondContact ND2-OG1 2.8Å; N130-K387 PolarHBondContact O-NZ 3.48Å | ||
| 131 | Y | 87.6 | Confident | 93.3 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -43.2 | 175.2 | 172.1 | -97.9 | 0 | 0 | 0 | 112.3 | V129 A133 T364 E379 E380 K387 | V129-Y131 PolarHBondContact O-N 3.08Å; Y131-A133 PolarHBondContact O-N 3.38Å; Y131-T364 HydrophobicContact CD2-CG2 3.96Å; Y131-T364 HydrophobicContact CG-CG2 3.84Å; Y131-E379 WeakPolarHBondContact CE2-OE2 3.41Å; Y131-E379 VanDerWaalsContact CZ-OE2 3.25Å; Y131-E379 PolarHBondContact OH-OE2 2.96Å; Y131-E380 VanDerWaalsContact CD2-OE1 3.27Å; Y131-E380 WeakPolarHBondContact CD2-OE1 3.26Å; Y131-K387 PolarHBondContact O-NZ 2.81Å; Y131-K387 VanDerWaalsContact O-NZ 3.14Å |
| 132 | H | 87.5 | Confident | 93.2 | Very high | 94 Ų | 94 | 44.6 Ų | 44.6 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.1 | -175.2 | -68.4 | -66.4 | 0 | 0 | 0 | 115 | N130 Q134 | N130-H132 PolarHBondContact O-N 3.32Å; N130-H132 PolarHBondContact OD1-N 3.05Å; H132-Q134 PolarHBondContact O-N 2.97Å; H132-Q134 PolarHBondContact O-NE2 3.19Å |
| 133 | A | 89.2 | Confident | 93.2 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 5% | 0.05 | 21% | 0.213 | C | C | . | . | trans | -55.6 | 125.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N130 Y131 Y136 D354 K387 | N130-A133 HydrophobicContact CB-CB 4.18Å; N130-A133 WeakPolarHBondContact O-CB 3.32Å; N130-A133 PolarHBondContact O-N 2.7Å; N130-A133 PolarHBondContact OD1-N 2.69Å; Y131-A133 PolarHBondContact O-N 3.38Å; A133-Y136 WeakPolarHBondContact O-CE1 3.48Å; A133-D354 VanDerWaalsContact CA-OD2 3.3Å; A133-D354 WeakPolarHBondContact CA-OD2 3.34Å; A133-K387 HydrophobicContact CB-CD 4.44Å | ||
| 134 | Q | 88.3 | Confident | 93.1 | Very high | 158 Ų | 158 | 48.5 Ų | 48.5 | 74% | 0.738 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -85.3 | -33.4 | 169.8 | -63 | -59.7 | -59.8 | 0 | 0 | 111.2 | H132 D354 | H132-Q134 PolarHBondContact O-N 2.97Å; H132-Q134 PolarHBondContact O-NE2 3.19Å; Q134-D354 PolarHBondContact N-OD1 3.18Å; Q134-D354 PolarHBondContact N-OD2 2.95Å |
| 135 | H | 91 | Very high | 92.9 | Very high | 115 Ų | 115 | 53.6 Ų | 53.6 | 53% | 0.532 | 26% | 0.261 | S | S | . | . | trans | -105.8 | 124.5 | 176 | -52.6 | 92.6 | 0 | 0 | 0 | 109.9 | H137 D354 | H135-H137 VanDerWaalsContact C-N 3.31Å; H135-H137 PolarHBondContact O-CD2 3.36Å; H135-H137 PolarHBondContact O-N 3.4Å; H135-H137 PolarHBondContact O-NE2 2.79Å; H135-D354 WeakPolarHBondContact CA-OD1 3.37Å; H135-D354 VanDerWaalsContact CB-OD1 3.3Å; H135-D354 WeakPolarHBondContact CB-OD1 3.39Å; H135-D354 IonicContact CG-OD1 3.58Å; H135-D354 PolarHBondContact N-OD1 3.06Å; H135-D354 IonicContact ND1-OD1 3.1Å; H135-D354 PolarHBondContact ND1-OD1 3.36Å; H135-D354 VanDerWaalsContact ND1-OD1 3.1Å | ||
| 136 | Y | 94.2 | Very high | 92.6 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | trans | -86.8 | -2.9 | -177 | -62 | -9.4 | 0 | 0 | 0 | 113.6 | A133 L138 E380 F383 K387 G388 | A133-Y136 WeakPolarHBondContact O-CE1 3.48Å; Y136-L138 VanDerWaalsContact C-N 3.3Å; Y136-L138 PolarHBondContact O-N 2.9Å; Y136-E380 PolarHBondContact OH-O 2.92Å; Y136-F383 HydrophobicContact CD2-CB 3.59Å; Y136-F383 HydrophobicContact CE2-CB 3.82Å; Y136-K387 HydrophobicContact CD1-CD 4.18Å; Y136-K387 HydrophobicContact CD1-CG 3.79Å; Y136-K387 HydrophobicContact CE1-CD 4.47Å; Y136-K387 HydrophobicContact CE1-CG 4.45Å; Y136-K387 HydrophobicContact CG-CG 3.83Å; Y136-K387 CarbonylContact O-C 3.56Å; Y136-K387 WeakPolarHBondContact O-CA 3.43Å; Y136-G388 PolarHBondContact O-N 3.27Å | ||
| 137 | H | 95.1 | Very high | 92.5 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.065 | 27% | 0.266 | C | S | . | . | trans | 49.9 | 47.3 | 177.6 | -49.1 | -64.7 | 0 | 0 | 0 | 114.1 | H135 T139 T142 V143 I146 T353 D354 G390 | H135-H137 VanDerWaalsContact C-N 3.31Å; H135-H137 PolarHBondContact O-CD2 3.36Å; H135-H137 PolarHBondContact O-N 3.4Å; H135-H137 PolarHBondContact O-NE2 2.79Å; H137-T139 VanDerWaalsContact C-N 3.27Å; H137-T139 PolarHBondContact O-N 3.4Å; H137-T142 VanDerWaalsContact CA-OG1 3.26Å; H137-T142 WeakPolarHBondContact CA-OG1 3.04Å; H137-V143 HydrophobicContact CB-CG2 3.82Å; H137-I146 HydrophobicContact CB-CD1 4.27Å; H137-I146 WeakPolarHBondContact CE1-CD1 3.28Å; H137-I146 VanDerWaalsContact CG-CD1 3.44Å; H137-I146 VanDerWaalsContact ND1-CD1 3.28Å; H137-I146 WeakPolarHBondContact ND1-CD1 3.48Å; H137-I146 WeakPolarHBondContact NE2-CD1 3.27Å; H137-T353 PolarHBondContact CE1-O 3Å; H137-T353 PolarHBondContact NE2-O 3.48Å; H137-D354 IonicContact NE2-OD1 3.96Å; H137-G390 WeakPolarHBondContact O-CA 3.28Å; H137-G390 PolarHBondContact O-N 3.06Å | ||
| 138 | L | 95.1 | Very high | 92.3 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | trans | -72.3 | -20.8 | -177.7 | -56 | -179.6 | 0 | 0 | 0 | 112.9 | Y136 F383 Y386 F389 G390 | Y136-L138 VanDerWaalsContact C-N 3.3Å; Y136-L138 PolarHBondContact O-N 2.9Å; L138-F383 HydrophobicContact CD1-CB 4.36Å; L138-F383 HydrophobicContact CD1-CD1 3.95Å; L138-F383 HydrophobicContact CD1-CG 4.31Å; L138-Y386 WeakPolarHBondContact CD2-O 3.43Å; L138-F389 HydrophobicContact CD2-CB 4.41Å; L138-G390 PolarHBondContact O-N 2.73Å | ||
| 139 | T | 94.4 | Very high | 92 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -107 | 147.2 | -178.4 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | H137 F141 T142 | H137-T139 VanDerWaalsContact C-N 3.27Å; H137-T139 PolarHBondContact O-N 3.4Å; T139-F141 VanDerWaalsContact C-N 3.27Å; T139-F141 PolarHBondContact O-N 2.9Å; T139-T142 PolarHBondContact O-N 2.99Å; T139-T142 PolarHBondContact O-OG1 3.46Å; T139-T142 WeakPolarHBondContact OG1-CG2 2.87Å; T139-T142 PolarHBondContact OG1-OG1 3.32Å |
| 140 | P | 93.9 | Very high | 91.7 | Very high | 29 Ų | 29 | 62.7 Ų | 62.7 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -35.2 | -178 | 24.9 | -35.4 | 0 | 0 | 0 | 112.6 | T142 V143 I144 I393 I394 | P140-T142 VanDerWaalsContact C-N 3.33Å; P140-T142 PolarHBondContact O-N 3.45Å; P140-V143 PolarHBondContact O-N 2.94Å; P140-V143 VanDerWaalsContact O-N 3.15Å; P140-I144 WeakPolarHBondContact O-CG1 3.47Å; P140-I144 PolarHBondContact O-N 3.03Å; P140-I393 HydrophobicContact CB-CG2 4.35Å; P140-I393 HydrophobicContact CG-CG2 4.2Å; P140-I394 HydrophobicContact CB-CD1 4.04Å; P140-I394 HydrophobicContact CB-CG1 3.56Å |
| 141 | F | 93.9 | Very high | 91.6 | Very high | 153 Ų | 153 | 65.9 Ų | 65.9 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | -178.3 | -53.1 | -71 | 0 | 0 | 0 | 113 | T139 V143 I144 N145 | T139-F141 VanDerWaalsContact C-N 3.27Å; T139-F141 PolarHBondContact O-N 2.9Å; F141-V143 VanDerWaalsContact C-N 3.32Å; F141-V143 PolarHBondContact O-N 3.41Å; F141-I144 PolarHBondContact O-N 3.47Å; F141-N145 PolarHBondContact O-N 3.45Å |
| 142 | T | 93.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.6 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | H137 T139 P140 N145 I146 | H137-T142 VanDerWaalsContact CA-OG1 3.26Å; H137-T142 WeakPolarHBondContact CA-OG1 3.04Å; T139-T142 PolarHBondContact O-N 2.99Å; T139-T142 PolarHBondContact O-OG1 3.46Å; T139-T142 WeakPolarHBondContact OG1-CG2 2.87Å; T139-T142 PolarHBondContact OG1-OG1 3.32Å; P140-T142 VanDerWaalsContact C-N 3.33Å; P140-T142 PolarHBondContact O-N 3.45Å; T142-N145 PolarHBondContact O-N 2.88Å; T142-I146 WeakPolarHBondContact O-CG1 3.46Å; T142-I146 PolarHBondContact O-N 3.48Å |
| 143 | V | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 178 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | L123 H137 P140 F141 N145 I146 M147 A391 I394 | L123-V143 HydrophobicContact CD1-CG1 3.99Å; H137-V143 HydrophobicContact CB-CG2 3.82Å; P140-V143 PolarHBondContact O-N 2.94Å; P140-V143 VanDerWaalsContact O-N 3.15Å; F141-V143 VanDerWaalsContact C-N 3.32Å; F141-V143 PolarHBondContact O-N 3.41Å; V143-N145 VanDerWaalsContact C-N 3.26Å; V143-N145 PolarHBondContact O-N 2.9Å; V143-I146 WeakPolarHBondContact O-CB 3.49Å; V143-I146 PolarHBondContact O-N 3.24Å; V143-I146 VanDerWaalsContact O-N 3.08Å; V143-M147 HydrophobicContact CG1-CG 4.35Å; V143-M147 HydrophobicContact CG1-SD 4.34Å; V143-M147 WeakPolarHBondContact O-CG 3.09Å; V143-M147 PolarHBondContact O-N 3.35Å; V143-A391 HydrophobicContact CG1-CB 4.04Å; V143-A391 HydrophobicContact CG2-CB 4.45Å; V143-I394 HydrophobicContact CB-CD1 3.9Å; V143-I394 HydrophobicContact CG1-CD1 3.87Å |
| 144 | I | 92.8 | Very high | 91.6 | Very high | 83 Ų | 83 | 70.2 Ų | 70.2 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 177.3 | -67.9 | 167.4 | 0 | 0 | 0 | 111.1 | P140 F141 I146 M147 Y148 I394 | P140-I144 WeakPolarHBondContact O-CG1 3.47Å; P140-I144 PolarHBondContact O-N 3.03Å; F141-I144 PolarHBondContact O-N 3.47Å; I144-I146 VanDerWaalsContact C-N 3.31Å; I144-I146 PolarHBondContact O-N 2.97Å; I144-M147 WeakPolarHBondContact O-CB 3.43Å; I144-M147 PolarHBondContact O-N 2.82Å; I144-Y148 WeakPolarHBondContact O-CB 3.24Å; I144-Y148 PolarHBondContact O-N 3.4Å; I144-I394 HydrophobicContact CD1-CD1 4.34Å; I144-I394 HydrophobicContact CG1-CD1 3.74Å |
| 145 | N | 90.8 | Very high | 91.6 | Very high | 116 Ų | 116 | 63.7 Ų | 63.7 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 176.5 | -70 | -17.1 | 0 | 0 | 0 | 111.9 | F141 T142 V143 Y148 S149 | F141-N145 PolarHBondContact O-N 3.45Å; T142-N145 PolarHBondContact O-N 2.88Å; V143-N145 VanDerWaalsContact C-N 3.26Å; V143-N145 PolarHBondContact O-N 2.9Å; N145-Y148 PolarHBondContact O-N 2.79Å; N145-S149 PolarHBondContact O-N 3.46Å |
| 146 | I | 90.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69 | -44.6 | 175.8 | -54.2 | 160.8 | 0 | 0 | 0 | 110.8 | L123 H137 T142 V143 I144 Y148 S149 F150 T353 | L123-I146 HydrophobicContact CD2-CG2 3.87Å; H137-I146 HydrophobicContact CB-CD1 4.27Å; H137-I146 WeakPolarHBondContact CE1-CD1 3.28Å; H137-I146 VanDerWaalsContact CG-CD1 3.44Å; H137-I146 VanDerWaalsContact ND1-CD1 3.28Å; H137-I146 WeakPolarHBondContact ND1-CD1 3.48Å; H137-I146 WeakPolarHBondContact NE2-CD1 3.27Å; T142-I146 WeakPolarHBondContact O-CG1 3.46Å; T142-I146 PolarHBondContact O-N 3.48Å; V143-I146 WeakPolarHBondContact O-CB 3.49Å; V143-I146 PolarHBondContact O-N 3.24Å; V143-I146 VanDerWaalsContact O-N 3.08Å; I144-I146 VanDerWaalsContact C-N 3.31Å; I144-I146 PolarHBondContact O-N 2.97Å; I146-Y148 PolarHBondContact O-N 3.29Å; I146-S149 PolarHBondContact O-N 2.9Å; I146-F150 HydrophobicContact CG2-CD1 4.21Å; I146-F150 HydrophobicContact CG2-CD2 4.35Å; I146-F150 HydrophobicContact CG2-CE1 4.06Å; I146-F150 HydrophobicContact CG2-CE2 4.17Å; I146-F150 HydrophobicContact CG2-CG 4.36Å; I146-F150 HydrophobicContact CG2-CZ 3.99Å; I146-F150 PolarHBondContact O-N 3.44Å; I146-T353 WeakPolarHBondContact CD1-O 3.43Å; I146-T353 WeakPolarHBondContact CG1-O 3.2Å |
| 147 | M | 91.8 | Very high | 91.2 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.5 | -46.1 | 174.9 | -73 | 177.5 | 87.2 | 0 | 0 | 110.7 | P119 L123 V143 I144 N151 I394 | P119-M147 HydrophobicContact CB-CE 3.69Å; L123-M147 HydrophobicContact CD1-CB 4.14Å; L123-M147 HydrophobicContact CD1-CG 3.01Å; L123-M147 HydrophobicContact CD1-SD 4.1Å; L123-M147 HydrophobicContact CG-CG 4.49Å; V143-M147 HydrophobicContact CG1-CG 4.35Å; V143-M147 HydrophobicContact CG1-SD 4.34Å; V143-M147 WeakPolarHBondContact O-CG 3.09Å; V143-M147 PolarHBondContact O-N 3.35Å; I144-M147 WeakPolarHBondContact O-CB 3.43Å; I144-M147 PolarHBondContact O-N 2.82Å; M147-N151 VanDerWaalsContact O-CB 3.24Å; M147-N151 WeakPolarHBondContact O-CB 3.16Å; M147-N151 PolarHBondContact O-N 3.29Å; M147-I394 HydrophobicContact SD-CD1 4.5Å |
| 148 | Y | 91.4 | Very high | 90.8 | Very high | 153 Ų | 153 | 66.9 Ų | 66.9 | 60% | 0.6 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 176.8 | 179.4 | -97.1 | 0 | 0 | 0 | 111.9 | I144 N145 I146 N151 K152 | I144-Y148 WeakPolarHBondContact O-CB 3.24Å; I144-Y148 PolarHBondContact O-N 3.4Å; N145-Y148 PolarHBondContact O-N 2.79Å; I146-Y148 PolarHBondContact O-N 3.29Å; Y148-N151 PolarHBondContact O-N 3.44Å; Y148-K152 HydrophobicContact CE1-CD 4.24Å; Y148-K152 WeakPolarHBondContact O-CB 3.32Å; Y148-K152 PolarHBondContact O-N 3.2Å |
| 149 | S | 89.1 | Confident | 90.6 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 178.4 | -163.9 | 0 | 0 | 0 | 0 | 112.3 | N145 I146 K152 T153 G356 | N145-S149 PolarHBondContact O-N 3.46Å; I146-S149 PolarHBondContact O-N 2.9Å; S149-K152 PolarHBondContact O-N 3.43Å; S149-T153 WeakPolarHBondContact O-CB 3.16Å; S149-T153 VanDerWaalsContact O-CG2 3.32Å; S149-T153 WeakPolarHBondContact O-CG2 3.2Å; S149-T153 PolarHBondContact O-N 2.94Å; S149-T153 PolarHBondContact O-OG1 2.89Å; S149-G356 PolarHBondContact OG-O 3.27Å |
| 150 | F | 89.7 | Confident | 90.6 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 175.2 | -78.7 | 5.3 | 0 | 0 | 0 | 112 | L123 I146 K152 T153 Q154 L159 D351 T353 G356 | L123-F150 HydrophobicContact CD2-CD2 3.66Å; L123-F150 HydrophobicContact CD2-CE2 3.45Å; L123-F150 VanDerWaalsContact CD2-CE2 3.45Å; L123-F150 HydrophobicContact CD2-CZ 4.4Å; I146-F150 HydrophobicContact CG2-CD1 4.21Å; I146-F150 HydrophobicContact CG2-CD2 4.35Å; I146-F150 HydrophobicContact CG2-CE1 4.06Å; I146-F150 HydrophobicContact CG2-CE2 4.17Å; I146-F150 HydrophobicContact CG2-CG 4.36Å; I146-F150 HydrophobicContact CG2-CZ 3.99Å; I146-F150 PolarHBondContact O-N 3.44Å; F150-K152 VanDerWaalsContact C-N 3.27Å; F150-K152 PolarHBondContact O-N 3.42Å; F150-T153 PolarHBondContact O-N 2.91Å; F150-T153 PolarHBondContact O-OG1 3.41Å; F150-Q154 PolarHBondContact O-N 2.86Å; F150-L159 HydrophobicContact CB-CD2 4.36Å; F150-D351 HydrophobicContact CE1-CB 3.75Å; F150-D351 HydrophobicContact CE2-CB 3.88Å; F150-D351 HydrophobicContact CZ-CB 3.26Å; F150-T353 HydrophobicContact CZ-CG2 4.49Å; F150-G356 WeakPolarHBondContact CD1-O 3.4Å |
| 151 | N | 90.7 | Very high | 90.4 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 176.9 | -172.8 | 24.3 | 0 | 0 | 0 | 111.6 | M147 Y148 G155 P156 L159 | M147-N151 VanDerWaalsContact O-CB 3.24Å; M147-N151 WeakPolarHBondContact O-CB 3.16Å; M147-N151 PolarHBondContact O-N 3.29Å; Y148-N151 PolarHBondContact O-N 3.44Å; N151-G155 CarbonylContact O-C 3.57Å; N151-G155 WeakPolarHBondContact O-CA 3.26Å; N151-G155 PolarHBondContact O-N 3.38Å; N151-P156 WeakPolarHBondContact OD1-CA 3.39Å; N151-P156 WeakPolarHBondContact OD1-CB 3.23Å; N151-P156 WeakPolarHBondContact OD1-CD 3.38Å; N151-L159 HydrophobicContact CB-CD1 4.45Å |
| 152 | K | 90.1 | Very high | 90.2 | Very high | 157 Ų | 157 | 57.8 Ų | 57.8 | 68% | 0.683 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71 | -36.2 | 178.4 | -173.6 | 174.8 | -179.9 | 177.1 | 0 | 113 | Y148 S149 F150 | Y148-K152 HydrophobicContact CE1-CD 4.24Å; Y148-K152 WeakPolarHBondContact O-CB 3.32Å; Y148-K152 PolarHBondContact O-N 3.2Å; S149-K152 PolarHBondContact O-N 3.43Å; F150-K152 VanDerWaalsContact C-N 3.27Å; F150-K152 PolarHBondContact O-N 3.42Å |
| 153 | T | 86.7 | Confident | 90.1 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -90.6 | -39.8 | -173.2 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | S149 F150 G356 | S149-T153 WeakPolarHBondContact O-CB 3.16Å; S149-T153 VanDerWaalsContact O-CG2 3.32Å; S149-T153 WeakPolarHBondContact O-CG2 3.2Å; S149-T153 PolarHBondContact O-N 2.94Å; S149-T153 PolarHBondContact O-OG1 2.89Å; F150-T153 PolarHBondContact O-N 2.91Å; F150-T153 PolarHBondContact O-OG1 3.41Å; T153-G356 PolarHBondContact OG1-O 2.98Å |
| 154 | Q | 87 | Confident | 90 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -114 | -6.9 | -174.1 | -56.2 | -176.2 | 33.6 | 0 | 0 | 113.1 | F150 A158 I229 D351 | F150-Q154 PolarHBondContact O-N 2.86Å; Q154-A158 HydrophobicContact CB-CB 3.53Å; Q154-I229 HydrophobicContact CG-CD1 4.33Å; Q154-I229 HydrophobicContact CG-CG1 4.28Å; Q154-D351 PolarHBondContact NE2-OD1 2.67Å |
| 155 | G | 88.6 | Confident | 89.9 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | trans | 82.9 | 171.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | N151 R157 A158 | N151-G155 CarbonylContact O-C 3.57Å; N151-G155 WeakPolarHBondContact O-CA 3.26Å; N151-G155 PolarHBondContact O-N 3.38Å; G155-R157 VanDerWaalsContact C-N 3.28Å; G155-R157 PolarHBondContact O-N 3.05Å; G155-A158 WeakPolarHBondContact O-CB 3.26Å; G155-A158 PolarHBondContact O-N 3.34Å | ||
| 156 | P | 88.4 | Confident | 89.9 | Confident | 82 Ų | 82 | 49.6 Ų | 49.6 | 53% | 0.532 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -67.9 | -27.7 | -173.2 | 24.2 | -33.7 | 0 | 0 | 0 | 112.9 | N151 A158 L159 | N151-P156 WeakPolarHBondContact OD1-CA 3.39Å; N151-P156 WeakPolarHBondContact OD1-CB 3.23Å; N151-P156 WeakPolarHBondContact OD1-CD 3.38Å; P156-A158 PolarHBondContact O-N 2.85Å; P156-L159 PolarHBondContact O-N 3.39Å; P156-L159 VanDerWaalsContact O-N 3.17Å |
| 157 | R | 88.1 | Confident | 90 | Very high | 168 Ų | 168 | 53.1 Ų | 53.1 | 63% | 0.634 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -60.7 | -29 | 179.2 | -174.2 | 177 | 175.1 | -170.8 | -4.8 | 112.6 | G155 L159 W160 K161 | G155-R157 VanDerWaalsContact C-N 3.28Å; G155-R157 PolarHBondContact O-N 3.05Å; R157-L159 PolarHBondContact O-N 2.93Å; R157-W160 CarbonylContact O-C 3.5Å; R157-W160 WeakPolarHBondContact O-CA 3.47Å; R157-W160 PolarHBondContact O-N 2.87Å; R157-K161 PolarHBondContact O-N 3.01Å |
| 158 | A | 87.4 | Confident | 90 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63.4 | -28.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q154 G155 P156 W160 K161 E228 | Q154-A158 HydrophobicContact CB-CB 3.53Å; G155-A158 WeakPolarHBondContact O-CB 3.26Å; G155-A158 PolarHBondContact O-N 3.34Å; P156-A158 PolarHBondContact O-N 2.85Å; A158-W160 VanDerWaalsContact C-N 3.25Å; A158-W160 PolarHBondContact O-N 3.45Å; A158-K161 WeakPolarHBondContact O-CD 3.5Å; A158-K161 VanDerWaalsContact O-CG 3.27Å; A158-K161 WeakPolarHBondContact O-CG 3.31Å; A158-E228 HydrophobicContact CB-CG 4.11Å |
| 159 | L | 91.4 | Very high | 90 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -73.5 | -19.5 | 174.3 | -64.8 | 175.7 | 0 | 0 | 0 | 112.7 | P119 L123 F150 N151 P156 R157 | P119-L159 WeakPolarHBondContact CA-O 3.3Å; P119-L159 HydrophobicContact CB-CB 3.98Å; P119-L159 HydrophobicContact CG-CB 4.11Å; L123-L159 HydrophobicContact CD1-CD2 4.27Å; F150-L159 HydrophobicContact CB-CD2 4.36Å; N151-L159 HydrophobicContact CB-CD1 4.45Å; P156-L159 PolarHBondContact O-N 3.39Å; P156-L159 VanDerWaalsContact O-N 3.17Å; R157-L159 PolarHBondContact O-N 2.93Å |
| 160 | W | 92.7 | Very high | 90 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 37% | 0.367 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -103.8 | 15.5 | -179.8 | -87.1 | -83.4 | 0 | 0 | 0 | 114.1 | V115 P119 R157 A158 M163 | V115-W160 PolarHBondContact O-NE1 3.32Å; P119-W160 HydrophobicContact CG-CD2 4.01Å; P119-W160 HydrophobicContact CG-CE3 4.03Å; P119-W160 HydrophobicContact CG-CH2 3.45Å; P119-W160 VanDerWaalsContact CG-CH2 3.45Å; P119-W160 HydrophobicContact CG-CZ2 3.4Å; P119-W160 HydrophobicContact CG-CZ3 3.76Å; R157-W160 CarbonylContact O-C 3.5Å; R157-W160 WeakPolarHBondContact O-CA 3.47Å; R157-W160 PolarHBondContact O-N 2.87Å; A158-W160 VanDerWaalsContact C-N 3.25Å; A158-W160 PolarHBondContact O-N 3.45Å; W160-M163 HydrophobicContact CG-CE 4.42Å; W160-M163 WeakPolarHBondContact O-CB 3.28Å; W160-M163 PolarHBondContact O-N 3.41Å |
| 161 | K | 90.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 139.6 | -179.6 | 69.6 | -176.6 | 178.3 | 166.6 | 0 | 112.1 | H118 V122 R157 A158 M163 T224 V225 Q226 E228 D351 | H118-K161 PolarHBondContact NE2-O 3.44Å; V122-K161 HydrophobicContact CG1-CD 4.27Å; V122-K161 HydrophobicContact CG1-CG 3.88Å; V122-K161 HydrophobicContact CG2-CG 4.14Å; R157-K161 PolarHBondContact O-N 3.01Å; A158-K161 WeakPolarHBondContact O-CD 3.5Å; A158-K161 VanDerWaalsContact O-CG 3.27Å; A158-K161 WeakPolarHBondContact O-CG 3.31Å; K161-M163 PolarHBondContact O-N 2.84Å; K161-T224 WeakPolarHBondContact CE-O 3.29Å; K161-V225 PolarHBondContact NZ-O 3.36Å; K161-V225 VanDerWaalsContact NZ-O 3.16Å; K161-Q226 WeakPolarHBondContact CD-O 3.07Å; K161-Q226 PolarHBondContact NZ-O 2.89Å; K161-E228 WeakPolarHBondContact CB-OE1 3.44Å; K161-E228 HydrophobicContact CD-CG 4.43Å; K161-D351 IonicContact NZ-OD2 2.68Å; K161-D351 PolarHBondContact NZ-OD2 2.83Å |
| 162 | G | 89.5 | Confident | 90.3 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 11.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G164 S165 T166 | G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 2.95Å; G162-S165 PolarHBondContact O-N 3.49Å; G162-S165 PolarHBondContact O-OG 3.1Å; G162-T166 PolarHBondContact O-N 3.42Å; G162-T166 PolarHBondContact O-OG1 3.46Å |
| 163 | M | 90.9 | Very high | 90.4 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.7 | 169.7 | 171.5 | -89.5 | 0 | 0 | 112.9 | N114 V115 H118 W160 K161 S165 T166 F167 | N114-M163 WeakPolarHBondContact O-CE 3.44Å; V115-M163 HydrophobicContact CB-CE 4.12Å; V115-M163 HydrophobicContact CG1-CE 3.97Å; V115-M163 HydrophobicContact CG2-CE 4.18Å; H118-M163 HydrophobicContact CB-CE 3.75Å; H118-M163 VanDerWaalsContact CE1-CA 3.49Å; H118-M163 WeakPolarHBondContact CE1-CA 3.28Å; W160-M163 HydrophobicContact CG-CE 4.42Å; W160-M163 WeakPolarHBondContact O-CB 3.28Å; W160-M163 PolarHBondContact O-N 3.41Å; K161-M163 PolarHBondContact O-N 2.84Å; M163-S165 VanDerWaalsContact C-N 3.35Å; M163-S165 PolarHBondContact O-N 3.42Å; M163-T166 WeakPolarHBondContact CA-OG1 3.48Å; M163-T166 PolarHBondContact O-N 2.9Å; M163-T166 PolarHBondContact O-OG1 3.32Å; M163-F167 HydrophobicContact CE-CE2 4.49Å; M163-F167 HydrophobicContact CG-CD2 3.92Å; M163-F167 HydrophobicContact CG-CE2 3.55Å; M163-F167 WeakPolarHBondContact O-CD2 3.48Å; M163-F167 PolarHBondContact O-N 2.71Å; M163-F167 HydrophobicContact SD-CE2 4.12Å |
| 164 | G | 91.2 | Very high | 90.5 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 26% | 0.258 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G162 F167 I168 | G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 2.95Å; G164-F167 PolarHBondContact O-N 3.49Å; G164-I168 WeakPolarHBondContact O-CG1 3.5Å; G164-I168 PolarHBondContact O-N 3.2Å |
| 165 | S | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.9 | -33.1 | 177.9 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | G162 M163 F167 I168 V169 S220 E223 C239 | G162-S165 PolarHBondContact O-N 3.49Å; G162-S165 PolarHBondContact O-OG 3.1Å; M163-S165 VanDerWaalsContact C-N 3.35Å; M163-S165 PolarHBondContact O-N 3.42Å; S165-F167 VanDerWaalsContact C-N 3.32Å; S165-F167 PolarHBondContact O-N 2.87Å; S165-I168 WeakPolarHBondContact O-CB 3.33Å; S165-I168 PolarHBondContact O-N 2.93Å; S165-V169 WeakPolarHBondContact O-CG2 3.46Å; S165-V169 PolarHBondContact O-N 3.1Å; S165-S220 PolarHBondContact OG-OG 3.46Å; S165-E223 WeakPolarHBondContact CB-OE2 3.5Å; S165-E223 PolarHBondContact OG-OE2 3.22Å; S165-C239 VanDerWaalsContact CB-CB 3.48Å; S165-C239 WeakPolarHBondContact CB-SG 3.32Å |
| 166 | T | 90.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 172.9 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | G162 M163 V169 Q170 S220 T224 | G162-T166 PolarHBondContact O-N 3.42Å; G162-T166 PolarHBondContact O-OG1 3.46Å; M163-T166 WeakPolarHBondContact CA-OG1 3.48Å; M163-T166 PolarHBondContact O-N 2.9Å; M163-T166 PolarHBondContact O-OG1 3.32Å; T166-V169 PolarHBondContact O-N 3.4Å; T166-Q170 VanDerWaalsContact O-CG 3.29Å; T166-Q170 WeakPolarHBondContact O-CG 3.26Å; T166-Q170 PolarHBondContact O-N 2.91Å; T166-Q170 VanDerWaalsContact O-N 3.1Å; T166-S220 WeakPolarHBondContact CG2-OG 3.37Å; T166-S220 PolarHBondContact N-OG 2.9Å; T166-T224 HydrophobicContact CG2-CG2 3.97Å |
| 167 | F | 92.4 | Very high | 91 | Very high | 84 Ų | 84 | 37.3 Ų | 37.3 | 37% | 0.368 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 173.9 | -73.9 | -59.8 | 0 | 0 | 0 | 112.7 | N114 V115 M163 G164 S165 Q170 G171 | N114-F167 HydrophobicContact CB-CE1 3.69Å; N114-F167 HydrophobicContact CB-CZ 3.83Å; V115-F167 HydrophobicContact CG2-CZ 4.15Å; M163-F167 HydrophobicContact CE-CE2 4.49Å; M163-F167 HydrophobicContact CG-CD2 3.92Å; M163-F167 HydrophobicContact CG-CE2 3.55Å; M163-F167 WeakPolarHBondContact O-CD2 3.48Å; M163-F167 PolarHBondContact O-N 2.71Å; M163-F167 HydrophobicContact SD-CE2 4.12Å; G164-F167 PolarHBondContact O-N 3.49Å; S165-F167 VanDerWaalsContact C-N 3.32Å; S165-F167 PolarHBondContact O-N 2.87Å; F167-Q170 WeakPolarHBondContact O-CB 3.49Å; F167-Q170 PolarHBondContact O-N 3.23Å; F167-G171 PolarHBondContact O-N 3.26Å |
| 168 | I | 91.8 | Very high | 91.1 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 173.4 | -73.3 | 162.7 | 0 | 0 | 0 | 110.6 | G164 S165 Q170 G171 V172 I236 C239 V240 | G164-I168 WeakPolarHBondContact O-CG1 3.5Å; G164-I168 PolarHBondContact O-N 3.2Å; S165-I168 WeakPolarHBondContact O-CB 3.33Å; S165-I168 PolarHBondContact O-N 2.93Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.06Å; I168-G171 PolarHBondContact O-N 3.36Å; I168-G171 VanDerWaalsContact O-N 3.17Å; I168-V172 HydrophobicContact CG2-CG2 4.19Å; I168-V172 WeakPolarHBondContact O-CB 3.2Å; I168-V172 WeakPolarHBondContact O-CG2 3.25Å; I168-V172 PolarHBondContact O-N 3.19Å; I168-I236 HydrophobicContact CD1-CG2 3.67Å; I168-I236 WeakPolarHBondContact CD1-O 3.42Å; I168-C239 HydrophobicContact CD1-CB 4.32Å; I168-V240 HydrophobicContact CD1-CG2 4.04Å; I168-V240 HydrophobicContact CG2-CG2 3.72Å |
| 169 | V | 91.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | S165 T166 V172 T173 F216 | S165-V169 WeakPolarHBondContact O-CG2 3.46Å; S165-V169 PolarHBondContact O-N 3.1Å; T166-V169 PolarHBondContact O-N 3.4Å; V169-V172 PolarHBondContact O-N 3.3Å; V169-T173 WeakPolarHBondContact O-CB 3.2Å; V169-T173 PolarHBondContact O-N 2.95Å; V169-T173 PolarHBondContact O-OG1 3.22Å; V169-F216 VanDerWaalsContact CG2-C 3.47Å; V169-F216 HydrophobicContact CG2-CB 3.92Å; V169-F216 WeakPolarHBondContact CG2-O 3.25Å |
| 170 | Q | 90 | Very high | 91.2 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 16% | 0.159 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -49 | 174.1 | -69.1 | 173.2 | 2.6 | 0 | 0 | 111.7 | W42 N114 T166 F167 I168 V172 T173 L174 | W42-Q170 HydrophobicContact CZ2-CG 3.7Å; W42-Q170 VanDerWaalsContact NE1-CD 3.31Å; N114-Q170 PolarHBondContact OD1-NE2 3.35Å; T166-Q170 VanDerWaalsContact O-CG 3.29Å; T166-Q170 WeakPolarHBondContact O-CG 3.26Å; T166-Q170 PolarHBondContact O-N 2.91Å; T166-Q170 VanDerWaalsContact O-N 3.1Å; F167-Q170 WeakPolarHBondContact O-CB 3.49Å; F167-Q170 PolarHBondContact O-N 3.23Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.06Å; Q170-V172 PolarHBondContact O-N 3.5Å; Q170-T173 PolarHBondContact O-N 3.21Å; Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 2.96Å |
| 171 | G | 92.2 | Very high | 90.9 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 45% | 0.454 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F167 I168 G175 | F167-G171 PolarHBondContact O-N 3.26Å; I168-G171 PolarHBondContact O-N 3.36Å; I168-G171 VanDerWaalsContact O-N 3.17Å; G171-G175 PolarHBondContact O-N 3.48Å |
| 172 | V | 92.6 | Very high | 90.8 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 22% | 0.218 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | I168 V169 Q170 A176 F216 | I168-V172 HydrophobicContact CG2-CG2 4.19Å; I168-V172 WeakPolarHBondContact O-CB 3.2Å; I168-V172 WeakPolarHBondContact O-CG2 3.25Å; I168-V172 PolarHBondContact O-N 3.19Å; V169-V172 PolarHBondContact O-N 3.3Å; Q170-V172 PolarHBondContact O-N 3.5Å; V172-A176 WeakPolarHBondContact O-CB 3.38Å; V172-A176 PolarHBondContact O-N 3.32Å; V172-F216 HydrophobicContact CG1-CD2 3.75Å; V172-F216 HydrophobicContact CG1-CE2 3.99Å; V172-F216 HydrophobicContact CG1-CG 4.36Å; V172-F216 HydrophobicContact CG2-CD1 4.46Å; V172-F216 HydrophobicContact CG2-CD2 4.41Å; V172-F216 HydrophobicContact CG2-CG 4.34Å |
| 173 | T | 92.3 | Very high | 90.6 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 179.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | V169 Q170 A176 E177 T209 A213 | V169-T173 WeakPolarHBondContact O-CB 3.2Å; V169-T173 PolarHBondContact O-N 2.95Å; V169-T173 PolarHBondContact O-OG1 3.22Å; Q170-T173 PolarHBondContact O-N 3.21Å; T173-A176 PolarHBondContact O-N 2.69Å; T173-E177 WeakPolarHBondContact O-CB 3.48Å; T173-E177 PolarHBondContact O-N 2.89Å; T173-T209 HydrophobicContact CG2-CG2 3.74Å; T173-T209 VanDerWaalsContact O-CG2 3.28Å; T173-T209 WeakPolarHBondContact O-CG2 3.35Å; T173-A213 WeakPolarHBondContact OG1-CB 3.41Å |
| 174 | L | 89.9 | Confident | 90.1 | Very high | 96 Ų | 96 | 45.5 Ų | 45.5 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 178.1 | -68.1 | 173.6 | 0 | 0 | 0 | 112 | Q170 E177 G178 | Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 2.96Å; L174-E177 PolarHBondContact O-N 3.19Å; L174-G178 PolarHBondContact O-N 3.08Å |
| 175 | G | 92.3 | Very high | 89.3 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G171 G178 I179 | G171-G175 PolarHBondContact O-N 3.48Å; G175-G178 PolarHBondContact O-N 2.93Å; G175-I179 WeakPolarHBondContact O-CB 3.32Å; G175-I179 VanDerWaalsContact O-CG1 3.24Å; G175-I179 WeakPolarHBondContact O-CG1 3.26Å; G175-I179 PolarHBondContact O-N 3.12Å |
| 176 | A | 92.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V172 T173 G178 I179 I180 T209 V212 | V172-A176 WeakPolarHBondContact O-CB 3.38Å; V172-A176 PolarHBondContact O-N 3.32Å; T173-A176 PolarHBondContact O-N 2.69Å; A176-G178 VanDerWaalsContact C-N 3.28Å; A176-G178 PolarHBondContact O-N 3.43Å; A176-I179 PolarHBondContact O-N 3.38Å; A176-I180 HydrophobicContact CB-CD1 4.37Å; A176-I180 VanDerWaalsContact O-CB 3.31Å; A176-I180 WeakPolarHBondContact O-CB 3.46Å; A176-I180 VanDerWaalsContact O-CD1 3.27Å; A176-I180 WeakPolarHBondContact O-CD1 3.46Å; A176-I180 WeakPolarHBondContact O-CG1 3.24Å; A176-I180 PolarHBondContact O-N 3.04Å; A176-T209 HydrophobicContact CB-CG2 4.3Å; A176-V212 HydrophobicContact CB-CB 4.09Å; A176-V212 HydrophobicContact CB-CG1 3.72Å |
| 177 | E | 89.9 | Confident | 87.3 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 176.1 | -177.2 | 168.1 | 163.8 | 0 | 0 | 111.9 | T173 L174 S181 K206 T209 | T173-E177 WeakPolarHBondContact O-CB 3.48Å; T173-E177 PolarHBondContact O-N 2.89Å; L174-E177 PolarHBondContact O-N 3.19Å; E177-S181 VanDerWaalsContact O-CB 3.23Å; E177-S181 WeakPolarHBondContact O-CB 3.48Å; E177-S181 PolarHBondContact O-N 2.89Å; E177-S181 PolarHBondContact O-OG 3.14Å; E177-K206 IonicContact OE1-NZ 2.7Å; E177-K206 PolarHBondContact OE1-NZ 2.8Å; E177-K206 IonicContact OE2-NZ 2.69Å; E177-K206 PolarHBondContact OE2-NZ 3.1Å; E177-T209 WeakPolarHBondContact CA-OG1 3.18Å; E177-T209 HydrophobicContact CB-CG2 3.94Å |
| 178 | G | 89.1 | Confident | 85.7 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -52.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L174 G175 A176 I180 S181 E182 | L174-G178 PolarHBondContact O-N 3.08Å; G175-G178 PolarHBondContact O-N 2.93Å; A176-G178 VanDerWaalsContact C-N 3.28Å; A176-G178 PolarHBondContact O-N 3.43Å; G178-I180 VanDerWaalsContact C-N 3.35Å; G178-I180 PolarHBondContact O-N 3.33Å; G178-S181 PolarHBondContact O-N 3.04Å; G178-S181 PolarHBondContact O-OG 3.1Å; G178-E182 WeakPolarHBondContact O-CG 3.15Å; G178-E182 PolarHBondContact O-N 3.39Å |
| 179 | I | 91.4 | Very high | 84 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 177.8 | -69.2 | 167.2 | 0 | 0 | 0 | 109.9 | G175 A176 S181 E182 F183 | G175-I179 WeakPolarHBondContact O-CB 3.32Å; G175-I179 VanDerWaalsContact O-CG1 3.24Å; G175-I179 WeakPolarHBondContact O-CG1 3.26Å; G175-I179 PolarHBondContact O-N 3.12Å; A176-I179 PolarHBondContact O-N 3.38Å; I179-S181 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 2.85Å; I179-E182 PolarHBondContact O-N 2.95Å; I179-E182 VanDerWaalsContact O-N 3.12Å; I179-F183 HydrophobicContact CG2-CD2 3.69Å; I179-F183 HydrophobicContact CG2-CE2 3.82Å; I179-F183 WeakPolarHBondContact O-CD2 3.39Å; I179-F183 PolarHBondContact O-N 3.49Å |
| 180 | I | 90 | Very high | 82.4 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | -179.8 | -63.5 | 160.1 | 0 | 0 | 0 | 110.4 | A176 G178 E182 F183 T184 L205 L208 V212 | A176-I180 HydrophobicContact CB-CD1 4.37Å; A176-I180 VanDerWaalsContact O-CB 3.31Å; A176-I180 WeakPolarHBondContact O-CB 3.46Å; A176-I180 VanDerWaalsContact O-CD1 3.27Å; A176-I180 WeakPolarHBondContact O-CD1 3.46Å; A176-I180 WeakPolarHBondContact O-CG1 3.24Å; A176-I180 PolarHBondContact O-N 3.04Å; G178-I180 VanDerWaalsContact C-N 3.35Å; G178-I180 PolarHBondContact O-N 3.33Å; I180-E182 PolarHBondContact O-N 3.18Å; I180-F183 PolarHBondContact O-N 3.14Å; I180-T184 HydrophobicContact CG2-CG2 4.05Å; I180-T184 WeakPolarHBondContact O-CB 3.45Å; I180-T184 WeakPolarHBondContact O-CG2 3.42Å; I180-T184 PolarHBondContact O-N 3.19Å; I180-T184 PolarHBondContact O-OG1 2.94Å; I180-L205 HydrophobicContact CB-CD1 3.75Å; I180-L205 HydrophobicContact CG2-CD1 3.32Å; I180-L208 HydrophobicContact CD1-CB 4.19Å; I180-L208 HydrophobicContact CD1-CD2 4.04Å; I180-L208 HydrophobicContact CD1-CG 3.7Å; I180-L208 HydrophobicContact CG1-CD2 4.13Å; I180-L208 HydrophobicContact CG1-CG 4.33Å; I180-L208 HydrophobicContact CG2-CD2 3.64Å; I180-L208 HydrophobicContact CG2-CG 4.39Å; I180-V212 HydrophobicContact CD1-CG2 4.37Å |
| 181 | S | 86.5 | Confident | 80.6 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67 | -23.1 | 178.7 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | E177 G178 I179 R188 | E177-S181 VanDerWaalsContact O-CB 3.23Å; E177-S181 WeakPolarHBondContact O-CB 3.48Å; E177-S181 PolarHBondContact O-N 2.89Å; E177-S181 PolarHBondContact O-OG 3.14Å; G178-S181 PolarHBondContact O-N 3.04Å; G178-S181 PolarHBondContact O-OG 3.1Å; I179-S181 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 2.85Å; S181-R188 WeakPolarHBondContact OG-CD 3.33Å; S181-R188 PolarHBondContact OG-NE 3.38Å; S181-R188 PolarHBondContact OG-NH1 3.37Å |
| 182 | E | 88.9 | Confident | 78.7 | Confident | 152 Ų | 152 | 67.1 Ų | 67.1 | 71% | 0.71 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -81 | -39.2 | 174.1 | -73.6 | 177.5 | -173 | 0 | 0 | 111.7 | G178 I179 I180 | G178-E182 WeakPolarHBondContact O-CG 3.15Å; G178-E182 PolarHBondContact O-N 3.39Å; I179-E182 PolarHBondContact O-N 2.95Å; I179-E182 VanDerWaalsContact O-N 3.12Å; I180-E182 PolarHBondContact O-N 3.18Å |
| 183 | F | 84.9 | Confident | 76.9 | Confident | 170 Ų | 170 | 73.9 Ų | 73.9 | 75% | 0.746 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -84.8 | -14.7 | -178.7 | -74.7 | -71.8 | 0 | 0 | 0 | 114.2 | I179 I180 | I179-F183 HydrophobicContact CG2-CD2 3.69Å; I179-F183 HydrophobicContact CG2-CE2 3.82Å; I179-F183 WeakPolarHBondContact O-CD2 3.39Å; I179-F183 PolarHBondContact O-N 3.49Å; I180-F183 PolarHBondContact O-N 3.14Å |
| 184 | T | 81.3 | Confident | 75.5 | Confident | 39 Ų | 39 | 82.2 Ų | 82.2 | 24% | 0.239 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -121.1 | 144.3 | -180 | 67.3 | 0 | 0 | 0 | 0 | 110.2 | I180 L186 | I180-T184 HydrophobicContact CG2-CG2 4.05Å; I180-T184 WeakPolarHBondContact O-CB 3.45Å; I180-T184 WeakPolarHBondContact O-CG2 3.42Å; I180-T184 PolarHBondContact O-N 3.19Å; I180-T184 PolarHBondContact O-OG1 2.94Å; T184-L186 HydrophobicContact CG2-CD1 4.44Å; T184-L186 PolarHBondContact O-N 3.23Å; T184-L186 WeakPolarHBondContact OG1-CD1 3.2Å; T184-L186 WeakPolarHBondContact OG1-CG 3.34Å |
| 185 | P | 73 | Confident | 74.7 | Confident | 133 Ų | 133 | 79.3 Ų | 79.3 | 86% | 0.864 | 40% | 0.396 | S | S | * | . | trans | -73 | 21.1 | 176 | 33 | -36.9 | 0 | 0 | 0 | 112.8 | ||||
| 186 | L | 73.3 | Confident | 74 | Confident | 26 Ų | 26 | 83.1 Ų | 83.1 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | trans | -78.2 | 130.5 | -175 | -60.1 | 174.6 | 0 | 0 | 0 | 109.8 | T184 R188 E201 L204 L205 | T184-L186 HydrophobicContact CG2-CD1 4.44Å; T184-L186 PolarHBondContact O-N 3.23Å; T184-L186 WeakPolarHBondContact OG1-CD1 3.2Å; T184-L186 WeakPolarHBondContact OG1-CG 3.34Å; L186-R188 PolarHBondContact O-N 3.05Å; L186-E201 HydrophobicContact CD2-CB 3.67Å; L186-E201 HydrophobicContact CD2-CG 4.01Å; L186-L204 HydrophobicContact CD1-CD2 4.41Å; L186-L204 HydrophobicContact CD1-CG 4.36Å; L186-L204 HydrophobicContact CD2-CD2 4.3Å; L186-L205 HydrophobicContact CB-CB 4.05Å; L186-L205 HydrophobicContact CD1-CB 3.92Å; L186-L205 HydrophobicContact CD1-CD1 4.5Å | ||
| 187 | P | 66.8 | Low | 73.6 | Confident | 29 Ų | 29 | 90 Ų | 90 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | trans | -68.7 | 126.1 | -176.4 | 27.8 | -31.1 | 0 | 0 | 0 | 110.9 | E189 Q198 E201 H202 | P187-E189 VanDerWaalsContact C-N 3.28Å; P187-Q198 HydrophobicContact CG-CB 4.26Å; P187-Q198 HydrophobicContact CG-CG 4.49Å; P187-E201 VanDerWaalsContact CD-CB 3.45Å; P187-E201 HydrophobicContact CG-CB 4.04Å; P187-H202 HydrophobicContact CG-CB 4.4Å; P187-H202 PolarHBondContact O-ND1 3.43Å | ||
| 188 | R | 58.5 | Low | 73.2 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -72.2 | -24.5 | 176.1 | -140 | 170.9 | -177.2 | 176.8 | -7.1 | 112.5 | S181 L186 H202 | S181-R188 WeakPolarHBondContact OG-CD 3.33Å; S181-R188 PolarHBondContact OG-NE 3.38Å; S181-R188 PolarHBondContact OG-NH1 3.37Å; L186-R188 PolarHBondContact O-N 3.05Å; R188-H202 PolarHBondContact O-CE1 2.91Å; R188-H202 PolarHBondContact O-ND1 2.96Å |
| 189 | E | 57.8 | Low | 72.9 | Confident | 78 Ų | 78 | 94.1 Ų | 94.1 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -130.3 | 139.2 | -179.2 | -75.4 | 164.7 | -146.8 | 0 | 0 | 110.9 | P46 P187 L191 | P46-E189 HydrophobicContact CB-CG 3.85Å; P46-E189 WeakPolarHBondContact CB-OE1 3.36Å; P46-E189 VanDerWaalsContact CD-CG 3.49Å; P46-E189 HydrophobicContact CG-CG 3.58Å; P46-E189 WeakPolarHBondContact CG-OE1 3.42Å; P187-E189 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 2.91Å |
| 190 | V | 57.3 | Low | 72.6 | Confident | 35 Ų | 35 | 91.4 Ų | 91.4 | 21% | 0.212 | 46% | 0.457 | C | S | . | . | trans | -86.7 | 98.8 | 173.5 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | I199 H202 | V190-I199 HydrophobicContact CG1-CG1 3.96Å; V190-H202 HydrophobicContact CG2-CB 4.08Å | ||
| 191 | L | 53.2 | Low | 72.5 | Confident | 111 Ų | 111 | 93.2 Ų | 93.2 | 58% | 0.581 | 47% | 0.465 | S | S | * | . | trans | -56.4 | 150.6 | 174.3 | -78.8 | 162.5 | 0 | 0 | 0 | 111.6 | E189 K193 | E189-L191 PolarHBondContact O-N 2.91Å; L191-K193 CarbonylContact O-C 3.56Å; L191-K193 PolarHBondContact O-N 3.46Å | ||
| 192 | H | 51.8 | Low | 72.5 | Confident | 178 Ų | 178 | 92.4 Ų | 92.4 | 82% | 0.824 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -55.2 | -14.1 | -173 | -161.8 | 77.7 | 0 | 0 | 0 | 116 | W194 | H192-W194 PolarHBondContact O-N 2.9Š|
| 193 | K | 55.1 | Low | 72.6 | Confident | 179 Ų | 179 | 87.1 Ų | 87.1 | 78% | 0.778 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -89.8 | 100.9 | 171.9 | -69.1 | -175.7 | 179.4 | -179.6 | 0 | 108.6 | L191 S195 | L191-K193 CarbonylContact O-C 3.56Å; L191-K193 PolarHBondContact O-N 3.46Å; K193-S195 VanDerWaalsContact C-N 3.27Å; K193-S195 PolarHBondContact O-N 2.95Å |
| 194 | W | 62.5 | Low | 72.9 | Confident | 191 Ų | 191 | 84.1 Ų | 84.1 | 72% | 0.723 | 43% | 0.427 | S | S | * | . | trans | -56.6 | 81.9 | 177.7 | -65.4 | 76.3 | 0 | 0 | 0 | 111.9 | H192 I199 | H192-W194 PolarHBondContact O-N 2.9Å; W194-I199 HydrophobicContact CE3-CD1 3.82Å; W194-I199 HydrophobicContact CZ3-CD1 4.37Å | ||
| 195 | S | 73.9 | Confident | 73.4 | Confident | 35 Ų | 35 | 82.2 Ų | 82.2 | 25% | 0.245 | 42% | 0.415 | C | S | . | . | trans | -92.5 | 121.4 | 167.4 | 81.1 | 0 | 0 | 0 | 0 | 108.3 | K193 K197 Q198 I199 | K193-S195 VanDerWaalsContact C-N 3.27Å; K193-S195 PolarHBondContact O-N 2.95Å; S195-K197 PolarHBondContact O-N 3.08Å; S195-K197 VanDerWaalsContact O-N 3.15Å; S195-Q198 PolarHBondContact O-N 2.93Å; S195-Q198 VanDerWaalsContact O-N 3.12Å; S195-Q198 WeakPolarHBondContact OG-CB 3.47Å; S195-Q198 WeakPolarHBondContact OG-CG 3.39Å; S195-Q198 PolarHBondContact OG-N 3.29Å; S195-Q198 PolarHBondContact OG-OE1 3.35Å; S195-I199 PolarHBondContact O-N 3.08Å | ||
| 196 | P | 77.6 | Confident | 74.2 | Confident | 113 Ų | 113 | 76.1 Ų | 76.1 | 73% | 0.734 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.9 | -26.5 | -177.6 | 24.5 | -33.7 | 0 | 0 | 0 | 111.7 | G200 | P196-G200 PolarHBondContact O-N 3.04Å |
| 197 | K | 82.4 | Confident | 75.2 | Confident | 153 Ų | 153 | 76.3 Ų | 76.3 | 67% | 0.665 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.8 | -49.1 | 173.8 | -170 | -177.6 | 176.1 | -168.4 | 0 | 112.1 | S195 I199 G200 E201 | S195-K197 PolarHBondContact O-N 3.08Å; S195-K197 VanDerWaalsContact O-N 3.15Å; K197-I199 VanDerWaalsContact C-N 3.31Å; K197-I199 PolarHBondContact O-N 3.27Å; K197-G200 PolarHBondContact O-N 3.44Å; K197-E201 WeakPolarHBondContact CE-OE1 3.1Å; K197-E201 WeakPolarHBondContact O-CG 3.18Å; K197-E201 PolarHBondContact O-N 3.39Å |
| 198 | Q | 81.9 | Confident | 76.5 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 178.3 | -73.7 | 167.5 | -24.3 | 0 | 0 | 112.2 | P187 S195 E201 H202 | P187-Q198 HydrophobicContact CG-CB 4.26Å; P187-Q198 HydrophobicContact CG-CG 4.49Å; S195-Q198 PolarHBondContact O-N 2.93Å; S195-Q198 VanDerWaalsContact O-N 3.12Å; S195-Q198 WeakPolarHBondContact OG-CB 3.47Å; S195-Q198 WeakPolarHBondContact OG-CG 3.39Å; S195-Q198 PolarHBondContact OG-N 3.29Å; S195-Q198 PolarHBondContact OG-OE1 3.35Å; Q198-E201 PolarHBondContact O-N 2.96Å; Q198-H202 VanDerWaalsContact O-CB 3.32Å; Q198-H202 WeakPolarHBondContact O-CB 3.48Å; Q198-H202 PolarHBondContact O-N 3.34Å |
| 199 | I | 83.3 | Confident | 78.2 | Confident | 50 Ų | 50 | 73.3 Ų | 73.3 | 26% | 0.256 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 174 | -64.1 | 169.1 | 0 | 0 | 0 | 110 | V190 W194 S195 K197 H202 L203 | V190-I199 HydrophobicContact CG1-CG1 3.96Å; W194-I199 HydrophobicContact CE3-CD1 3.82Å; W194-I199 HydrophobicContact CZ3-CD1 4.37Å; S195-I199 PolarHBondContact O-N 3.08Å; K197-I199 VanDerWaalsContact C-N 3.31Å; K197-I199 PolarHBondContact O-N 3.27Å; I199-H202 PolarHBondContact O-N 3.33Å; I199-L203 HydrophobicContact CG2-CD1 3.97Å; I199-L203 HydrophobicContact CG2-CG 4.35Å; I199-L203 WeakPolarHBondContact O-CB 3.44Å; I199-L203 VanDerWaalsContact O-CG 3.25Å; I199-L203 WeakPolarHBondContact O-CG 3.44Å; I199-L203 PolarHBondContact O-N 3.36Å |
| 200 | G | 85.6 | Confident | 80 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P196 K197 H202 L203 L204 | P196-G200 PolarHBondContact O-N 3.04Å; K197-G200 PolarHBondContact O-N 3.44Å; G200-H202 PolarHBondContact O-N 3.42Å; G200-L203 PolarHBondContact O-N 3.32Å; G200-L204 WeakPolarHBondContact O-CB 3.41Å; G200-L204 PolarHBondContact O-N 3.46Å |
| 201 | E | 87.1 | Confident | 81.7 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 177 | -70.2 | 169.7 | 173.3 | 0 | 0 | 111.8 | L186 P187 K197 Q198 L204 L205 | L186-E201 HydrophobicContact CD2-CB 3.67Å; L186-E201 HydrophobicContact CD2-CG 4.01Å; P187-E201 VanDerWaalsContact CD-CB 3.45Å; P187-E201 HydrophobicContact CG-CB 4.04Å; K197-E201 WeakPolarHBondContact CE-OE1 3.1Å; K197-E201 WeakPolarHBondContact O-CG 3.18Å; K197-E201 PolarHBondContact O-N 3.39Å; Q198-E201 PolarHBondContact O-N 2.96Å; E201-L204 WeakPolarHBondContact O-CB 3.49Å; E201-L204 PolarHBondContact O-N 2.87Å; E201-L205 PolarHBondContact O-N 2.94Å |
| 202 | H | 86.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 176.4 | -175.8 | 75.8 | 0 | 0 | 0 | 112.7 | T45 P187 R188 V190 Q198 I199 G200 L204 L205 K206 Y276 | T45-H202 VanDerWaalsContact CG2-CE1 3.41Å; T45-H202 WeakPolarHBondContact CG2-CE1 3.29Å; T45-H202 VanDerWaalsContact CG2-NE2 3.29Å; T45-H202 WeakPolarHBondContact CG2-NE2 3.4Å; P187-H202 HydrophobicContact CG-CB 4.4Å; P187-H202 PolarHBondContact O-ND1 3.43Å; R188-H202 PolarHBondContact O-CE1 2.91Å; R188-H202 PolarHBondContact O-ND1 2.96Å; V190-H202 HydrophobicContact CG2-CB 4.08Å; Q198-H202 VanDerWaalsContact O-CB 3.32Å; Q198-H202 WeakPolarHBondContact O-CB 3.48Å; Q198-H202 PolarHBondContact O-N 3.34Å; I199-H202 PolarHBondContact O-N 3.33Å; G200-H202 PolarHBondContact O-N 3.42Å; H202-L204 VanDerWaalsContact C-N 3.3Å; H202-L204 PolarHBondContact O-N 2.9Å; H202-L205 WeakPolarHBondContact O-CB 3.19Å; H202-L205 PolarHBondContact O-N 2.99Å; H202-K206 WeakPolarHBondContact NE2-CE 3.17Å; H202-K206 WeakPolarHBondContact O-CG 3.47Å; H202-K206 PolarHBondContact O-N 2.94Å; H202-Y276 AromaticContact CD2-CE1 3.5Å; H202-Y276 AromaticContact CD2-CZ 3.57Å; H202-Y276 PolarHBondContact CD2-OH 3.38Å; H202-Y276 AromaticContact NE2-CE1 3.55Å; H202-Y276 AromaticContact NE2-CZ 3.29Å; H202-Y276 VanDerWaalsContact NE2-CZ 3.29Å; H202-Y276 PolarHBondContact NE2-OH 2.78Å |
| 203 | L | 90 | Very high | 85.7 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.4 | -33.4 | 174.4 | -70.1 | 175.2 | 0 | 0 | 0 | 112.1 | I199 G200 K206 S207 V273 Y276 I277 | I199-L203 HydrophobicContact CG2-CD1 3.97Å; I199-L203 HydrophobicContact CG2-CG 4.35Å; I199-L203 WeakPolarHBondContact O-CB 3.44Å; I199-L203 VanDerWaalsContact O-CG 3.25Å; I199-L203 WeakPolarHBondContact O-CG 3.44Å; I199-L203 PolarHBondContact O-N 3.36Å; G200-L203 PolarHBondContact O-N 3.32Å; L203-K206 PolarHBondContact O-N 3.39Å; L203-S207 WeakPolarHBondContact O-CB 3.35Å; L203-S207 PolarHBondContact O-N 2.94Å; L203-S207 PolarHBondContact O-OG 3.36Å; L203-V273 HydrophobicContact CD2-CG1 4.12Å; L203-Y276 HydrophobicContact CD2-CD1 3.71Å; L203-Y276 HydrophobicContact CD2-CE1 3.69Å; L203-I277 HydrophobicContact CD1-CD1 4.36Å; L203-I277 HydrophobicContact CD2-CD1 4.04Å; L203-I277 HydrophobicContact CD2-CG1 3.92Å |
| 204 | L | 91.8 | Very high | 87.5 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 56% | 0.555 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.1 | -44 | 172.7 | -179.2 | 62.7 | 0 | 0 | 0 | 111.3 | L186 G200 E201 H202 K206 S207 L208 | L186-L204 HydrophobicContact CD1-CD2 4.41Å; L186-L204 HydrophobicContact CD1-CG 4.36Å; L186-L204 HydrophobicContact CD2-CD2 4.3Å; G200-L204 WeakPolarHBondContact O-CB 3.41Å; G200-L204 PolarHBondContact O-N 3.46Å; E201-L204 WeakPolarHBondContact O-CB 3.49Å; E201-L204 PolarHBondContact O-N 2.87Å; H202-L204 VanDerWaalsContact C-N 3.3Å; H202-L204 PolarHBondContact O-N 2.9Å; L204-K206 PolarHBondContact O-N 3.02Å; L204-S207 WeakPolarHBondContact O-CB 3.48Å; L204-S207 PolarHBondContact O-N 3.44Å; L204-L208 PolarHBondContact O-N 3.45Å |
| 205 | L | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.3 | -51.7 | 173.3 | 174 | 63.9 | 0 | 0 | 0 | 110.7 | I180 L186 E201 H202 S207 L208 T209 | I180-L205 HydrophobicContact CB-CD1 3.75Å; I180-L205 HydrophobicContact CG2-CD1 3.32Å; L186-L205 HydrophobicContact CB-CB 4.05Å; L186-L205 HydrophobicContact CD1-CB 3.92Å; L186-L205 HydrophobicContact CD1-CD1 4.5Å; E201-L205 PolarHBondContact O-N 2.94Å; H202-L205 WeakPolarHBondContact O-CB 3.19Å; H202-L205 PolarHBondContact O-N 2.99Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 2.91Å; L205-L208 PolarHBondContact O-N 3.35Å; L205-T209 PolarHBondContact O-N 3.44Å; L205-T209 PolarHBondContact O-OG1 3.3Å; L205-T209 VanDerWaalsContact O-OG1 3.05Å |
| 206 | K | 90.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 177.6 | -68.6 | -70.2 | 173.9 | -170.3 | 0 | 112.3 | E177 H202 L203 L204 L208 T209 Y210 Y276 | E177-K206 IonicContact OE1-NZ 2.7Å; E177-K206 PolarHBondContact OE1-NZ 2.8Å; E177-K206 IonicContact OE2-NZ 2.69Å; E177-K206 PolarHBondContact OE2-NZ 3.1Å; H202-K206 WeakPolarHBondContact NE2-CE 3.17Å; H202-K206 WeakPolarHBondContact O-CG 3.47Å; H202-K206 PolarHBondContact O-N 2.94Å; L203-K206 PolarHBondContact O-N 3.39Å; L204-K206 PolarHBondContact O-N 3.02Å; K206-L208 PolarHBondContact O-N 2.87Å; K206-T209 WeakPolarHBondContact O-CB 3.36Å; K206-T209 PolarHBondContact O-N 3.42Å; K206-Y210 HydrophobicContact CB-CE2 4.19Å; K206-Y210 WeakPolarHBondContact O-CD2 3.4Å; K206-Y210 PolarHBondContact O-N 3.2Å; K206-Y276 HydrophobicContact CG-CD1 4.05Å; K206-Y276 HydrophobicContact CG-CE1 4.07Å |
| 207 | S | 93.9 | Very high | 90.6 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 177.8 | -59 | 0 | 0 | 0 | 0 | 111.6 | L203 L204 L205 Y210 V211 V273 | L203-S207 WeakPolarHBondContact O-CB 3.35Å; L203-S207 PolarHBondContact O-N 2.94Å; L203-S207 PolarHBondContact O-OG 3.36Å; L204-S207 WeakPolarHBondContact O-CB 3.48Å; L204-S207 PolarHBondContact O-N 3.44Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 2.91Å; S207-Y210 PolarHBondContact O-N 2.91Å; S207-V211 WeakPolarHBondContact O-CG2 3.31Å; S207-V211 PolarHBondContact O-N 3.24Å; S207-V211 VanDerWaalsContact O-N 3.08Å; S207-V273 WeakPolarHBondContact OG-CG2 3.5Å |
| 208 | L | 94.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 33.1 Ų | 33.1 | 40% | 0.398 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.6 | -40 | 178.5 | -174.7 | 57.7 | 0 | 0 | 0 | 111.7 | I180 L204 L205 K206 Y210 V211 V212 | I180-L208 HydrophobicContact CD1-CB 4.19Å; I180-L208 HydrophobicContact CD1-CD2 4.04Å; I180-L208 HydrophobicContact CD1-CG 3.7Å; I180-L208 HydrophobicContact CG1-CD2 4.13Å; I180-L208 HydrophobicContact CG1-CG 4.33Å; I180-L208 HydrophobicContact CG2-CD2 3.64Å; I180-L208 HydrophobicContact CG2-CG 4.39Å; L204-L208 PolarHBondContact O-N 3.45Å; L205-L208 PolarHBondContact O-N 3.35Å; K206-L208 PolarHBondContact O-N 2.87Å; L208-Y210 VanDerWaalsContact C-N 3.35Å; L208-Y210 PolarHBondContact O-N 3.49Å; L208-V211 WeakPolarHBondContact O-CB 3.31Å; L208-V211 PolarHBondContact O-N 3.15Å; L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 3.12Å |
| 209 | T | 94 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 173 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | T173 A176 E177 L205 K206 V211 V212 A213 | T173-T209 HydrophobicContact CG2-CG2 3.74Å; T173-T209 VanDerWaalsContact O-CG2 3.28Å; T173-T209 WeakPolarHBondContact O-CG2 3.35Å; A176-T209 HydrophobicContact CB-CG2 4.3Å; E177-T209 WeakPolarHBondContact CA-OG1 3.18Å; E177-T209 HydrophobicContact CB-CG2 3.94Å; L205-T209 PolarHBondContact O-N 3.44Å; L205-T209 PolarHBondContact O-OG1 3.3Å; L205-T209 VanDerWaalsContact O-OG1 3.05Å; K206-T209 WeakPolarHBondContact O-CB 3.36Å; K206-T209 PolarHBondContact O-N 3.42Å; T209-V211 VanDerWaalsContact C-N 3.32Å; T209-V211 PolarHBondContact O-N 2.91Å; T209-V212 PolarHBondContact O-N 3.43Å; T209-A213 WeakPolarHBondContact O-CB 3.49Å; T209-A213 PolarHBondContact O-N 3.35Å |
| 210 | Y | 94.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 28.1 Ų | 28.1 | 13% | 0.129 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -34.9 | 178.7 | -66.8 | -49.9 | 0 | 0 | 0 | 112.7 | K206 S207 L208 A213 M214 G272 V273 | K206-Y210 HydrophobicContact CB-CE2 4.19Å; K206-Y210 WeakPolarHBondContact O-CD2 3.4Å; K206-Y210 PolarHBondContact O-N 3.2Å; S207-Y210 PolarHBondContact O-N 2.91Å; L208-Y210 VanDerWaalsContact C-N 3.35Å; L208-Y210 PolarHBondContact O-N 3.49Å; Y210-A213 PolarHBondContact O-N 2.93Å; Y210-M214 VanDerWaalsContact O-CB 3.32Å; Y210-M214 WeakPolarHBondContact O-CB 3.35Å; Y210-M214 PolarHBondContact O-N 2.96Å; Y210-G272 PolarHBondContact OH-O 3.43Å; Y210-V273 HydrophobicContact CD2-CG2 4.3Å; Y210-V273 HydrophobicContact CE2-CG2 4.34Å |
| 211 | V | 94.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 26.2 Ų | 26.2 | 30% | 0.297 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.1 | -45 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | S207 L208 T209 I265 V269 | S207-V211 WeakPolarHBondContact O-CG2 3.31Å; S207-V211 PolarHBondContact O-N 3.24Å; S207-V211 VanDerWaalsContact O-N 3.08Å; L208-V211 WeakPolarHBondContact O-CB 3.31Å; L208-V211 PolarHBondContact O-N 3.15Å; T209-V211 VanDerWaalsContact C-N 3.32Å; T209-V211 PolarHBondContact O-N 2.91Å; V211-I265 HydrophobicContact CG1-CD1 4.46Å; V211-I265 HydrophobicContact CG2-CG2 3.91Å; V211-V269 HydrophobicContact CG2-CG2 3.71Å |
| 212 | V | 93.9 | Very high | 92.5 | Very high | 63 Ų | 63 | 24.3 Ų | 24.3 | 38% | 0.382 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -68 | -36.8 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 111.9 | A176 I180 L208 T209 P215 | A176-V212 HydrophobicContact CB-CB 4.09Å; A176-V212 HydrophobicContact CB-CG1 3.72Å; I180-V212 HydrophobicContact CD1-CG2 4.37Å; L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 3.12Å; T209-V212 PolarHBondContact O-N 3.43Å; V212-P215 WeakPolarHBondContact O-CD 3.32Å |
| 213 | A | 93.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -79.5 | -24.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | T173 T209 Y210 F216 Y217 | T173-A213 WeakPolarHBondContact OG1-CB 3.41Å; T209-A213 WeakPolarHBondContact O-CB 3.49Å; T209-A213 PolarHBondContact O-N 3.35Å; Y210-A213 PolarHBondContact O-N 2.93Å; A213-F216 PolarHBondContact O-N 2.89Å; A213-F216 VanDerWaalsContact O-N 3.15Å; A213-Y217 PolarHBondContact O-N 3.44Å |
| 214 | M | 93.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -47.7 | -46.3 | -176.4 | -176 | -135.1 | 65.9 | 0 | 0 | 115.8 | Y210 F216 Y217 S218 L261 L264 I265 T268 | Y210-M214 VanDerWaalsContact O-CB 3.32Å; Y210-M214 WeakPolarHBondContact O-CB 3.35Å; Y210-M214 PolarHBondContact O-N 2.96Å; M214-F216 VanDerWaalsContact C-N 3.35Å; M214-F216 PolarHBondContact O-N 3.46Å; M214-Y217 PolarHBondContact O-N 2.91Å; M214-S218 PolarHBondContact O-N 2.83Å; M214-S218 PolarHBondContact O-OG 3.29Å; M214-L261 HydrophobicContact CE-CB 3.93Å; M214-L261 HydrophobicContact CE-CD1 4.07Å; M214-L261 HydrophobicContact CE-CD2 3.68Å; M214-L261 HydrophobicContact CE-CG 4.08Å; M214-L264 HydrophobicContact SD-CB 3.94Å; M214-I265 HydrophobicContact SD-CG1 4.31Å; M214-T268 HydrophobicContact CB-CG2 4.18Å; M214-T268 HydrophobicContact CG-CG2 4.01Å |
| 215 | P | 92.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.9 | -34 | -177.3 | 27.1 | -32.9 | 0 | 0 | 0 | 112.5 | V212 A219 G243 R246 V247 | V212-P215 WeakPolarHBondContact O-CD 3.32Å; P215-A219 PolarHBondContact O-N 3.25Å; P215-G243 WeakPolarHBondContact CB-O 3.23Å; P215-R246 HydrophobicContact CB-CB 4.14Å; P215-V247 HydrophobicContact CB-CG2 3.78Å; P215-V247 HydrophobicContact CG-CG2 3.52Å |
| 216 | F | 93.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 20.9 Ų | 20.9 | 11% | 0.114 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73.2 | -39.8 | 174.5 | -58.2 | -84.6 | 0 | 0 | 0 | 111.3 | V169 V172 A213 M214 S218 A219 S220 V240 I244 | V169-F216 VanDerWaalsContact CG2-C 3.47Å; V169-F216 HydrophobicContact CG2-CB 3.92Å; V169-F216 WeakPolarHBondContact CG2-O 3.25Å; V172-F216 HydrophobicContact CG1-CD2 3.75Å; V172-F216 HydrophobicContact CG1-CE2 3.99Å; V172-F216 HydrophobicContact CG1-CG 4.36Å; V172-F216 HydrophobicContact CG2-CD1 4.46Å; V172-F216 HydrophobicContact CG2-CD2 4.41Å; V172-F216 HydrophobicContact CG2-CG 4.34Å; A213-F216 PolarHBondContact O-N 2.89Å; A213-F216 VanDerWaalsContact O-N 3.15Å; M214-F216 VanDerWaalsContact C-N 3.35Å; M214-F216 PolarHBondContact O-N 3.46Å; F216-S218 VanDerWaalsContact C-N 3.27Å; F216-S218 PolarHBondContact O-N 2.96Å; F216-A219 WeakPolarHBondContact O-CB 3.33Å; F216-A219 PolarHBondContact O-N 3.3Å; F216-A219 VanDerWaalsContact O-N 3.15Å; F216-S220 PolarHBondContact O-N 3.12Å; F216-V240 HydrophobicContact CE1-CG1 4.21Å; F216-I244 HydrophobicContact CE1-CG1 4.26Å; F216-I244 HydrophobicContact CZ-CG1 4.13Å |
| 217 | Y | 93.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 20.6 Ų | 20.6 | 15% | 0.153 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.3 | -42.6 | 172.4 | 170.4 | -101.5 | 0 | 0 | 0 | 111.4 | A213 M214 A219 S220 L221 L338 H339 H342 | A213-Y217 PolarHBondContact O-N 3.44Å; M214-Y217 PolarHBondContact O-N 2.91Å; Y217-A219 PolarHBondContact O-N 3.36Å; Y217-S220 PolarHBondContact O-N 2.78Å; Y217-L221 WeakPolarHBondContact O-CB 3.48Å; Y217-L221 PolarHBondContact O-N 2.83Å; Y217-L338 HydrophobicContact CE1-CD2 4.15Å; Y217-L338 HydrophobicContact CE1-CG 4.4Å; Y217-H339 PolarHBondContact OH-CD2 2.9Å; Y217-H339 PolarHBondContact OH-NE2 3.26Å; Y217-H342 AromaticContact CD1-CE1 3.91Å; Y217-H342 AromaticContact CE1-CD2 3.94Å; Y217-H342 AromaticContact CE1-NE2 3.91Å |
| 218 | S | 91.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 112 | M214 F216 L221 I222 H342 | M214-S218 PolarHBondContact O-N 2.83Å; M214-S218 PolarHBondContact O-OG 3.29Å; F216-S218 VanDerWaalsContact C-N 3.27Å; F216-S218 PolarHBondContact O-N 2.96Å; S218-L221 PolarHBondContact O-N 3.37Å; S218-I222 WeakPolarHBondContact O-CD1 3.13Å; S218-I222 WeakPolarHBondContact O-CG1 3.47Å; S218-I222 PolarHBondContact O-N 3.46Å; S218-H342 PolarHBondContact OG-CE1 2.9Å; S218-H342 PolarHBondContact OG-ND1 3.35Å |
| 219 | A | 90.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -48.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P215 F216 Y217 L221 I222 E223 E242 R246 | P215-A219 PolarHBondContact O-N 3.25Å; F216-A219 WeakPolarHBondContact O-CB 3.33Å; F216-A219 PolarHBondContact O-N 3.3Å; F216-A219 VanDerWaalsContact O-N 3.15Å; Y217-A219 PolarHBondContact O-N 3.36Å; A219-L221 VanDerWaalsContact C-N 3.33Å; A219-L221 PolarHBondContact O-N 2.91Å; A219-I222 PolarHBondContact O-N 3.44Å; A219-E223 PolarHBondContact O-N 3.49Å; A219-E242 HydrophobicContact CB-CB 4.23Å; A219-E242 HydrophobicContact CB-CG 4.12Å; A219-R246 VanDerWaalsContact CB-NH1 3.27Å |
| 220 | S | 92.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.5 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | S165 T166 F216 Y217 I222 E223 T224 | S165-S220 PolarHBondContact OG-OG 3.46Å; T166-S220 WeakPolarHBondContact CG2-OG 3.37Å; T166-S220 PolarHBondContact N-OG 2.9Å; F216-S220 PolarHBondContact O-N 3.12Å; Y217-S220 PolarHBondContact O-N 2.78Å; S220-I222 VanDerWaalsContact C-N 3.35Å; S220-I222 PolarHBondContact O-N 2.92Å; S220-E223 PolarHBondContact O-N 3.1Å; S220-T224 WeakPolarHBondContact O-CG2 3.45Å; S220-T224 PolarHBondContact O-N 3.29Å; S220-T224 PolarHBondContact O-OG1 3.45Å |
| 221 | L | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.3 | -50.7 | 176.1 | 178.5 | 63.8 | 0 | 0 | 0 | 110.6 | R125 Y217 S218 A219 E223 T224 V225 H339 H342 | R125-L221 HydrophobicContact CB-CD1 4.4Å; R125-L221 HydrophobicContact CG-CD1 4.17Å; Y217-L221 WeakPolarHBondContact O-CB 3.48Å; Y217-L221 PolarHBondContact O-N 2.83Å; S218-L221 PolarHBondContact O-N 3.37Å; A219-L221 VanDerWaalsContact C-N 3.33Å; A219-L221 PolarHBondContact O-N 2.91Å; L221-E223 PolarHBondContact O-N 3.38Å; L221-T224 WeakPolarHBondContact CA-OG1 3.18Å; L221-T224 PolarHBondContact O-N 3.41Å; L221-T224 VanDerWaalsContact O-N 3.12Å; L221-T224 PolarHBondContact O-OG1 3.05Å; L221-V225 HydrophobicContact CD1-CG1 4.41Å; L221-V225 VanDerWaalsContact O-CG2 3.27Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 3.24Å; L221-H339 HydrophobicContact CD1-CB 4.42Å; L221-H339 HydrophobicContact CD2-CB 4.15Å; L221-H342 HydrophobicContact CD2-CB 3.58Å |
| 222 | I | 91.2 | Very high | 88 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 8% | 0.082 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 178.4 | -66.6 | 160.8 | 0 | 0 | 0 | 110.8 | S218 A219 S220 T224 V225 Q226 I343 T346 T348 | S218-I222 WeakPolarHBondContact O-CD1 3.13Å; S218-I222 WeakPolarHBondContact O-CG1 3.47Å; S218-I222 PolarHBondContact O-N 3.46Å; A219-I222 PolarHBondContact O-N 3.44Å; S220-I222 VanDerWaalsContact C-N 3.35Å; S220-I222 PolarHBondContact O-N 2.92Å; I222-T224 PolarHBondContact O-N 3.15Å; I222-V225 WeakPolarHBondContact O-CG2 3.44Å; I222-V225 PolarHBondContact O-N 3.19Å; I222-Q226 WeakPolarHBondContact O-CB 3.43Å; I222-Q226 PolarHBondContact O-N 3.37Å; I222-I343 HydrophobicContact CG1-CG1 4.4Å; I222-T346 HydrophobicContact CD1-CG2 3.61Å; I222-T346 HydrophobicContact CG1-CG2 4.27Å; I222-T348 HydrophobicContact CG2-CG2 4.33Å; I222-T348 WeakPolarHBondContact CG2-OG1 3.4Å |
| 223 | E | 90.8 | Very high | 86.2 | Confident | 28 Ų | 28 | 35 Ų | 35 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -32.6 | 178 | -74 | -176.5 | -166.4 | 0 | 0 | 113.2 | S165 A219 S220 L221 V225 R231 C239 | S165-E223 WeakPolarHBondContact CB-OE2 3.5Å; S165-E223 PolarHBondContact OG-OE2 3.22Å; A219-E223 PolarHBondContact O-N 3.49Å; S220-E223 PolarHBondContact O-N 3.1Å; L221-E223 PolarHBondContact O-N 3.38Å; E223-V225 VanDerWaalsContact C-N 3.32Å; E223-R231 PolarHBondContact O-NH1 3.45Å; E223-R231 VanDerWaalsContact O-NH1 3.07Å; E223-C239 WeakPolarHBondContact OE1-CA 3.5Å; E223-C239 WeakPolarHBondContact OE1-CB 3.37Å; E223-C239 PolarHBondContact OE1-N 3.06Å |
| 224 | T | 92.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79 | -12.9 | -179.5 | 60.4 | 0 | 0 | 0 | 0 | 114 | R125 K161 T166 S220 L221 I222 | R125-T224 WeakPolarHBondContact CD-OG1 3.29Å; R125-T224 PolarHBondContact NH1-OG1 3.35Å; K161-T224 WeakPolarHBondContact CE-O 3.29Å; T166-T224 HydrophobicContact CG2-CG2 3.97Å; S220-T224 WeakPolarHBondContact O-CG2 3.45Å; S220-T224 PolarHBondContact O-N 3.29Å; S220-T224 PolarHBondContact O-OG1 3.45Å; L221-T224 WeakPolarHBondContact CA-OG1 3.18Å; L221-T224 PolarHBondContact O-N 3.41Å; L221-T224 VanDerWaalsContact O-N 3.12Å; L221-T224 PolarHBondContact O-OG1 3.05Å; I222-T224 PolarHBondContact O-N 3.15Å |
| 225 | V | 92.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -118.7 | -22.9 | -179.6 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | R125 Q126 V129 K161 L221 I222 E223 S227 I343 T348 I350 | R125-V225 HydrophobicContact CB-CG1 3.58Å; Q126-V225 PolarHBondContact NE2-O 2.98Å; Q126-V225 VanDerWaalsContact OE1-CA 3.23Å; Q126-V225 PolarHBondContact OE1-O 2.91Å; V129-V225 HydrophobicContact CG2-CB 4.25Å; V129-V225 HydrophobicContact CG2-CG1 4.22Å; K161-V225 PolarHBondContact NZ-O 3.36Å; K161-V225 VanDerWaalsContact NZ-O 3.16Å; L221-V225 HydrophobicContact CD1-CG1 4.41Å; L221-V225 VanDerWaalsContact O-CG2 3.27Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 3.24Å; I222-V225 WeakPolarHBondContact O-CG2 3.44Å; I222-V225 PolarHBondContact O-N 3.19Å; E223-V225 VanDerWaalsContact C-N 3.32Å; V225-S227 PolarHBondContact O-N 2.94Å; V225-I343 HydrophobicContact CB-CD1 4.37Å; V225-I343 HydrophobicContact CG2-CD1 3.1Å; V225-T348 HydrophobicContact CG2-CG2 4.38Å; V225-I350 HydrophobicContact CB-CG2 4.19Å; V225-I350 HydrophobicContact CG2-CG2 4.28Å |
| 226 | Q | 91.3 | Very high | 82.7 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 134.8 | 174.7 | -174.7 | 171.9 | 1 | 0 | 0 | 111.5 | K161 I222 T348 I349 | K161-Q226 WeakPolarHBondContact CD-O 3.07Å; K161-Q226 PolarHBondContact NZ-O 2.89Å; I222-Q226 WeakPolarHBondContact O-CB 3.43Å; I222-Q226 PolarHBondContact O-N 3.37Å; Q226-T348 HydrophobicContact CB-CG2 3.91Å; Q226-T348 HydrophobicContact CG-CG2 4.28Å; Q226-I349 WeakPolarHBondContact CA-O 3.48Å |
| 227 | S | 88.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -65.4 | 135.5 | 178.2 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | V225 I229 I230 R231 I349 D351 V359 | V225-S227 PolarHBondContact O-N 2.94Å; S227-I229 PolarHBondContact O-N 2.8Å; S227-I229 PolarHBondContact OG-N 3.43Å; S227-I230 PolarHBondContact O-N 2.87Å; S227-R231 PolarHBondContact O-N 2.93Å; S227-I349 PolarHBondContact N-O 2.9Å; S227-D351 WeakPolarHBondContact CB-OD1 3.3Å; S227-D351 PolarHBondContact OG-OD1 3.31Å; S227-V359 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 228 | E | 83.8 | Confident | 81.6 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26.1 | 175.7 | -67.8 | -73.1 | 171.6 | 0 | 0 | 112.1 | A158 K161 I230 R231 | A158-E228 HydrophobicContact CB-CG 4.11Å; K161-E228 WeakPolarHBondContact CB-OE1 3.44Å; K161-E228 HydrophobicContact CD-CG 4.43Å; E228-I230 PolarHBondContact O-N 3.5Å; E228-I230 VanDerWaalsContact O-N 3.14Å; E228-R231 PolarHBondContact O-N 3.17Å; E228-R231 IonicContact OE1-CZ 3.19Å; E228-R231 IonicContact OE1-NH1 3.63Å; E228-R231 IonicContact OE1-NH2 2.56Å; E228-R231 PolarHBondContact OE1-NH2 2.81Å; E228-R231 IonicContact OE2-CZ 3.33Å; E228-R231 IonicContact OE2-NE 3.62Å; E228-R231 PolarHBondContact OE2-NE 2.9Å; E228-R231 IonicContact OE2-NH2 2.72Å; E228-R231 PolarHBondContact OE2-NH2 3.35Å |
| 229 | I | 78 | Confident | 81.3 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -29.1 | -179.1 | -59.3 | 172.2 | 0 | 0 | 0 | 111.1 | Q154 S227 V359 | Q154-I229 HydrophobicContact CG-CD1 4.33Å; Q154-I229 HydrophobicContact CG-CG1 4.28Å; S227-I229 PolarHBondContact O-N 2.8Å; S227-I229 PolarHBondContact OG-N 3.43Å; I229-V359 HydrophobicContact CD1-CG1 4.02Å |
| 230 | I | 75.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 34% | 0.338 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -15.4 | -176.4 | -64.2 | 158.2 | 0 | 0 | 0 | 111.3 | S227 E228 D232 I349 V359 | S227-I230 PolarHBondContact O-N 2.87Å; E228-I230 PolarHBondContact O-N 3.5Å; E228-I230 VanDerWaalsContact O-N 3.14Å; I230-D232 PolarHBondContact O-N 3.45Å; I230-I349 HydrophobicContact CD1-CB 3.54Å; I230-I349 HydrophobicContact CD1-CD1 3.65Å; I230-I349 HydrophobicContact CD1-CG1 4.18Å; I230-I349 HydrophobicContact CD1-CG2 3.26Å; I230-V359 HydrophobicContact CD1-CB 4.45Å; I230-V359 HydrophobicContact CD1-CG2 4.17Å |
| 231 | R | 70.6 | Confident | 80.9 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 16% | 0.158 | 31% | 0.314 | C | S | . | . | trans | -82 | 110.7 | -174.6 | -161.5 | 173 | 70.7 | -168.5 | 4.8 | 109.7 | E223 S227 E228 | E223-R231 PolarHBondContact O-NH1 3.45Å; E223-R231 VanDerWaalsContact O-NH1 3.07Å; S227-R231 PolarHBondContact O-N 2.93Å; E228-R231 PolarHBondContact O-N 3.17Å; E228-R231 IonicContact OE1-CZ 3.19Å; E228-R231 IonicContact OE1-NH1 3.63Å; E228-R231 IonicContact OE1-NH2 2.56Å; E228-R231 PolarHBondContact OE1-NH2 2.81Å; E228-R231 IonicContact OE2-CZ 3.33Å; E228-R231 IonicContact OE2-NE 3.62Å; E228-R231 PolarHBondContact OE2-NE 2.9Å; E228-R231 IonicContact OE2-NH2 2.72Å; E228-R231 PolarHBondContact OE2-NH2 3.35Å | ||
| 232 | D | 64.6 | Low | 80.4 | Confident | 139 Ų | 139 | 62.3 Ų | 62.3 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | trans | -59.6 | 149.4 | 166 | -67.2 | -38.5 | 0 | 0 | 0 | 109.6 | I230 T234 | I230-D232 PolarHBondContact O-N 3.45Å; D232-T234 VanDerWaalsContact C-N 3.27Å; D232-T234 PolarHBondContact O-N 3.04Å; D232-T234 PolarHBondContact O-OG1 3.25Å | ||
| 233 | N | 56.2 | Low | 80 | Confident | 152 Ų | 152 | 61.6 Ų | 61.6 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | trans | -60.5 | 84.9 | -178.2 | -83.8 | -55.9 | 0 | 0 | 0 | 111.6 | ||||
| 234 | T | 60.7 | Low | 79.8 | Confident | 73 Ų | 73 | 64 Ų | 64 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | trans | -88.2 | 134.4 | 177.2 | 44.1 | 0 | 0 | 0 | 0 | 110 | D232 E238 | D232-T234 VanDerWaalsContact C-N 3.27Å; D232-T234 PolarHBondContact O-N 3.04Å; D232-T234 PolarHBondContact O-OG1 3.25Å; T234-E238 HydrophobicContact CG2-CG 4.16Å | ||
| 235 | G | 70.3 | Confident | 79.3 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | trans | -68.1 | 160.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L237 E238 | G235-L237 PolarHBondContact O-N 2.85Å; G235-L237 VanDerWaalsContact O-N 3.1Å; G235-E238 WeakPolarHBondContact O-CB 3.34Å; G235-E238 PolarHBondContact O-N 3.45Å | ||
| 236 | I | 75.1 | Confident | 78.7 | Confident | 114 Ų | 114 | 65.6 Ų | 65.6 | 59% | 0.585 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.8 | -179.3 | -61.7 | 164.5 | 0 | 0 | 0 | 112.3 | I168 E238 | I168-I236 HydrophobicContact CD1-CG2 3.67Å; I168-I236 WeakPolarHBondContact CD1-O 3.42Å; I236-E238 VanDerWaalsContact C-N 3.32Å; I236-E238 PolarHBondContact O-N 2.92Å |
| 237 | L | 81.2 | Confident | 78.3 | Confident | 131 Ų | 131 | 68 Ų | 68 | 69% | 0.686 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10 | 179.9 | -60.8 | 179.4 | 0 | 0 | 0 | 114.1 | G235 C239 V240 K241 | G235-L237 PolarHBondContact O-N 2.85Å; G235-L237 VanDerWaalsContact O-N 3.1Å; L237-C239 PolarHBondContact O-N 3.49Å; L237-V240 WeakPolarHBondContact O-CB 3.33Å; L237-V240 PolarHBondContact O-N 2.9Å; L237-K241 PolarHBondContact O-N 3.04Å |
| 238 | E | 84.1 | Confident | 77.9 | Confident | 65 Ų | 65 | 73 Ų | 73 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -34.7 | 177.2 | -74.8 | -64.9 | 144.7 | 0 | 0 | 111.4 | T234 G235 I236 V240 K241 E242 | T234-E238 HydrophobicContact CG2-CG 4.16Å; G235-E238 WeakPolarHBondContact O-CB 3.34Å; G235-E238 PolarHBondContact O-N 3.45Å; I236-E238 VanDerWaalsContact C-N 3.32Å; I236-E238 PolarHBondContact O-N 2.92Å; E238-V240 VanDerWaalsContact C-N 3.26Å; E238-V240 PolarHBondContact O-N 3.49Å; E238-K241 VanDerWaalsContact CD-NZ 3.3Å; E238-K241 PolarHBondContact O-N 3.41Å; E238-K241 IonicContact OE1-NZ 3.61Å; E238-K241 PolarHBondContact OE1-NZ 3.37Å; E238-K241 IonicContact OE2-NZ 3.23Å; E238-K241 PolarHBondContact OE2-NZ 3.07Å; E238-E242 VanDerWaalsContact O-CB 3.22Å; E238-E242 WeakPolarHBondContact O-CB 3.41Å; E238-E242 PolarHBondContact O-N 2.84Å |
| 239 | C | 84.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -55.7 | -40.2 | 170.8 | 177.5 | 0 | 0 | 0 | 0 | 112.9 | S165 I168 E223 L237 G243 | S165-C239 VanDerWaalsContact CB-CB 3.48Å; S165-C239 WeakPolarHBondContact CB-SG 3.32Å; I168-C239 HydrophobicContact CD1-CB 4.32Å; E223-C239 WeakPolarHBondContact OE1-CA 3.5Å; E223-C239 WeakPolarHBondContact OE1-CB 3.37Å; E223-C239 PolarHBondContact OE1-N 3.06Å; L237-C239 PolarHBondContact O-N 3.49Å; C239-G243 PolarHBondContact O-N 3.46Å |
| 240 | V | 87.2 | Confident | 76.5 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 26% | 0.261 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.6 | -47.5 | 179.1 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | I168 F216 L237 E238 E242 G243 I244 | I168-V240 HydrophobicContact CD1-CG2 4.04Å; I168-V240 HydrophobicContact CG2-CG2 3.72Å; F216-V240 HydrophobicContact CE1-CG1 4.21Å; L237-V240 WeakPolarHBondContact O-CB 3.33Å; L237-V240 PolarHBondContact O-N 2.9Å; E238-V240 VanDerWaalsContact C-N 3.26Å; E238-V240 PolarHBondContact O-N 3.49Å; V240-E242 PolarHBondContact O-N 2.91Å; V240-G243 PolarHBondContact O-N 3.47Å; V240-I244 HydrophobicContact CG1-CD1 3.76Å; V240-I244 HydrophobicContact CG1-CG1 4.44Å; V240-I244 WeakPolarHBondContact O-CB 3.33Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.35Å; V240-I244 PolarHBondContact O-N 3.27Å |
| 241 | K | 85.9 | Confident | 75.6 | Confident | 126 Ų | 126 | 73.8 Ų | 73.8 | 55% | 0.548 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 178.7 | 173.4 | 175.8 | 152.5 | -136.4 | 0 | 111.8 | L237 E238 I244 G245 | L237-K241 PolarHBondContact O-N 3.04Å; E238-K241 VanDerWaalsContact CD-NZ 3.3Å; E238-K241 PolarHBondContact O-N 3.41Å; E238-K241 IonicContact OE1-NZ 3.61Å; E238-K241 PolarHBondContact OE1-NZ 3.37Å; E238-K241 IonicContact OE2-NZ 3.23Å; E238-K241 PolarHBondContact OE2-NZ 3.07Å; K241-I244 PolarHBondContact O-N 2.97Å; K241-G245 PolarHBondContact O-N 3.25Å |
| 242 | E | 84.5 | Confident | 74.9 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 29% | 0.29 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 178.2 | -177 | 70.8 | -170.3 | 0 | 0 | 111.2 | A219 E238 V240 G245 R246 | A219-E242 HydrophobicContact CB-CB 4.23Å; A219-E242 HydrophobicContact CB-CG 4.12Å; E238-E242 VanDerWaalsContact O-CB 3.22Å; E238-E242 WeakPolarHBondContact O-CB 3.41Å; E238-E242 PolarHBondContact O-N 2.84Å; V240-E242 PolarHBondContact O-N 2.91Å; E242-G245 PolarHBondContact O-N 2.99Å; E242-R246 WeakPolarHBondContact O-CB 3.44Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 3.5Å; E242-R246 IonicContact OE1-CZ 3.96Å; E242-R246 IonicContact OE1-NH1 3.85Å; E242-R246 IonicContact OE1-NH2 3.97Å; E242-R246 PolarHBondContact OE1-NH2 3.18Å |
| 243 | G | 82.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P215 C239 V240 R246 V247 | P215-G243 WeakPolarHBondContact CB-O 3.23Å; C239-G243 PolarHBondContact O-N 3.46Å; V240-G243 PolarHBondContact O-N 3.47Å; G243-R246 WeakPolarHBondContact O-CB 3.49Å; G243-R246 PolarHBondContact O-N 3.06Å; G243-V247 WeakPolarHBondContact O-CG2 3.36Å; G243-V247 PolarHBondContact O-N 3.43Å |
| 244 | I | 85.4 | Confident | 74.2 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 175.8 | -67.5 | 170.2 | 0 | 0 | 0 | 110.9 | F216 V240 K241 R246 V247 I248 | F216-I244 HydrophobicContact CE1-CG1 4.26Å; F216-I244 HydrophobicContact CZ-CG1 4.13Å; V240-I244 HydrophobicContact CG1-CD1 3.76Å; V240-I244 HydrophobicContact CG1-CG1 4.44Å; V240-I244 WeakPolarHBondContact O-CB 3.33Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.35Å; V240-I244 PolarHBondContact O-N 3.27Å; K241-I244 PolarHBondContact O-N 2.97Å; I244-R246 VanDerWaalsContact C-N 3.3Å; I244-R246 PolarHBondContact O-N 2.85Å; I244-V247 WeakPolarHBondContact O-CB 3.5Å; I244-V247 PolarHBondContact O-N 3.14Å; I244-I248 HydrophobicContact CG2-CD1 3.46Å; I244-I248 VanDerWaalsContact CG2-CD1 3.46Å; I244-I248 HydrophobicContact CG2-CG1 4.16Å; I244-I248 WeakPolarHBondContact O-CG1 3.42Å; I244-I248 PolarHBondContact O-N 3.32Å |
| 245 | G | 81.6 | Confident | 74 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.2 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K241 E242 V247 I248 G249 M250 | K241-G245 PolarHBondContact O-N 3.25Å; E242-G245 PolarHBondContact O-N 2.99Å; G245-V247 PolarHBondContact O-N 3.02Å; G245-I248 PolarHBondContact O-N 3.24Å; G245-G249 CarbonylContact O-C 3.53Å; G245-G249 WeakPolarHBondContact O-CA 3.42Å; G245-G249 PolarHBondContact O-N 3.28Å; G245-M250 CarbonylContact C-O 3.57Å; G245-M250 WeakPolarHBondContact CA-O 3.34Å; G245-M250 PolarHBondContact O-N 3.48Å |
| 246 | R | 81.4 | Confident | 73.3 | Confident | 23 Ų | 23 | 76.2 Ų | 76.2 | 9% | 0.087 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 171.6 | -83.9 | -171.7 | -178.3 | 87.7 | 28.6 | 112.4 | P215 A219 E242 G243 I244 G249 V252 L261 | P215-R246 HydrophobicContact CB-CB 4.14Å; A219-R246 VanDerWaalsContact CB-NH1 3.27Å; E242-R246 WeakPolarHBondContact O-CB 3.44Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 3.5Å; E242-R246 IonicContact OE1-CZ 3.96Å; E242-R246 IonicContact OE1-NH1 3.85Å; E242-R246 IonicContact OE1-NH2 3.97Å; E242-R246 PolarHBondContact OE1-NH2 3.18Å; G243-R246 WeakPolarHBondContact O-CB 3.49Å; G243-R246 PolarHBondContact O-N 3.06Å; I244-R246 VanDerWaalsContact C-N 3.3Å; I244-R246 PolarHBondContact O-N 2.85Å; R246-G249 PolarHBondContact O-N 3.19Å; R246-V252 HydrophobicContact CG-CG2 4.04Å; R246-L261 HydrophobicContact CB-CD1 3.88Å; R246-L261 WeakPolarHBondContact O-CD1 3.26Å |
| 247 | V | 82.7 | Confident | 72.8 | Confident | 98 Ų | 98 | 76.1 Ų | 76.1 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 179.1 | 175 | 0 | 0 | 0 | 0 | 112.1 | P215 G243 I244 G245 G249 | P215-V247 HydrophobicContact CB-CG2 3.78Å; P215-V247 HydrophobicContact CG-CG2 3.52Å; G243-V247 WeakPolarHBondContact O-CG2 3.36Å; G243-V247 PolarHBondContact O-N 3.43Å; I244-V247 WeakPolarHBondContact O-CB 3.5Å; I244-V247 PolarHBondContact O-N 3.14Å; G245-V247 PolarHBondContact O-N 3.02Å; V247-G249 VanDerWaalsContact C-N 3.29Å; V247-G249 PolarHBondContact O-N 3.13Å |
| 248 | I | 80.8 | Confident | 72.3 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -82.7 | -10.2 | -176 | -54.1 | 171.6 | 0 | 0 | 0 | 111.6 | I244 G245 M250 | I244-I248 HydrophobicContact CG2-CD1 3.46Å; I244-I248 VanDerWaalsContact CG2-CD1 3.46Å; I244-I248 HydrophobicContact CG2-CG1 4.16Å; I244-I248 WeakPolarHBondContact O-CG1 3.42Å; I244-I248 PolarHBondContact O-N 3.32Å; G245-I248 PolarHBondContact O-N 3.24Å; I248-M250 HydrophobicContact CB-CE 4.42Å; I248-M250 HydrophobicContact CD1-CE 4.39Å; I248-M250 HydrophobicContact CG2-CE 3.81Å; I248-M250 HydrophobicContact CG2-CG 4.11Å; I248-M250 PolarHBondContact O-N 3.42Å |
| 249 | G | 71.6 | Confident | 71.7 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 11.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G245 R246 V247 | G245-G249 CarbonylContact O-C 3.53Å; G245-G249 WeakPolarHBondContact O-CA 3.42Å; G245-G249 PolarHBondContact O-N 3.28Å; R246-G249 PolarHBondContact O-N 3.19Å; V247-G249 VanDerWaalsContact C-N 3.29Å; V247-G249 PolarHBondContact O-N 3.13Å |
| 250 | M | 59.7 | Low | 71.3 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 62% | 0.616 | 40% | 0.402 | S | S | * | . | trans | -96.2 | 129.6 | 176.5 | -71.6 | -162.9 | -63.2 | 0 | 0 | 110.6 | G245 I248 | G245-M250 CarbonylContact C-O 3.57Å; G245-M250 WeakPolarHBondContact CA-O 3.34Å; G245-M250 PolarHBondContact O-N 3.48Å; I248-M250 HydrophobicContact CB-CE 4.42Å; I248-M250 HydrophobicContact CD1-CE 4.39Å; I248-M250 HydrophobicContact CG2-CE 3.81Å; I248-M250 HydrophobicContact CG2-CG 4.11Å; I248-M250 PolarHBondContact O-N 3.42Å | ||
| 251 | G | 56.8 | Low | 70.9 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 68% | 0.68 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 91.6 | -5.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P253 | G251-P253 WeakPolarHBondContact O-CD 3.39Š|
| 252 | V | 55.6 | Low | 70.7 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 18% | 0.176 | 41% | 0.411 | C | S | . | . | trans | -77.2 | 121.5 | 173.5 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | R246 H254 L258 | R246-V252 HydrophobicContact CG-CG2 4.04Å; V252-H254 PolarHBondContact O-N 2.87Å; V252-H254 VanDerWaalsContact O-N 3.07Å; V252-H254 PolarHBondContact O-ND1 3.31Å; V252-H254 VanDerWaalsContact O-ND1 3.08Å; V252-L258 HydrophobicContact CB-CD2 4.48Å; V252-L258 HydrophobicContact CG1-CD2 3.01Å; V252-L258 HydrophobicContact CG1-CG 4.47Å | ||
| 253 | P | 53.8 | Low | 70.8 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 31% | 0.312 | 41% | 0.413 | S | S | . | . | trans | -58.1 | 121.7 | 173.1 | 21.5 | -29 | 0 | 0 | 0 | 107.6 | G251 S255 | G251-P253 WeakPolarHBondContact O-CD 3.39Å; P253-S255 PolarHBondContact O-N 2.98Å | ||
| 254 | H | 51.8 | Low | 71.2 | Confident | 181 Ų | 181 | 74.9 Ų | 74.9 | 84% | 0.838 | 42% | 0.415 | S | S | * | . | trans | -70.3 | 58.1 | 179.7 | -72.5 | 55.2 | 0 | 0 | 0 | 110.6 | V252 | V252-H254 PolarHBondContact O-N 2.87Å; V252-H254 VanDerWaalsContact O-N 3.07Å; V252-H254 PolarHBondContact O-ND1 3.31Å; V252-H254 VanDerWaalsContact O-ND1 3.08Å | ||
| 255 | S | 56.4 | Low | 71.6 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | trans | -79.6 | 127.5 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 107.7 | P253 R257 L258 | P253-S255 PolarHBondContact O-N 2.98Å; S255-R257 PolarHBondContact O-N 2.96Å; S255-L258 PolarHBondContact O-N 3.13Å | ||
| 256 | K | 56.8 | Low | 72.2 | Confident | 215 Ų | 215 | 79.3 Ų | 79.3 | 94% | 0.935 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -12 | 173 | -62.9 | -173.9 | 178.7 | -175.2 | 0 | 113.4 | ||
| 257 | R | 63.7 | Low | 72.9 | Confident | 113 Ų | 113 | 78.4 Ų | 78.4 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -11 | -178.8 | -58.2 | -175.5 | 179 | 175.4 | -2.1 | 114.3 | S255 N363 Q365 | S255-R257 PolarHBondContact O-N 2.96Å; R257-N363 PolarHBondContact NH1-OD1 2.6Å; R257-Q365 HydrophobicContact CG-CG 4.46Å |
| 258 | L | 71.3 | Confident | 73.5 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -82.4 | 127.8 | 177.4 | -173.2 | 85.7 | 0 | 0 | 0 | 109.2 | V252 S255 Q344 T346 | V252-L258 HydrophobicContact CB-CD2 4.48Å; V252-L258 HydrophobicContact CG1-CD2 3.01Å; V252-L258 HydrophobicContact CG1-CG 4.47Å; S255-L258 PolarHBondContact O-N 3.13Å; L258-Q344 WeakPolarHBondContact CD1-O 3.3Å; L258-T346 HydrophobicContact CD1-CG2 3.9Å |
| 259 | L | 70.9 | Confident | 74.3 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 140.7 | 173.5 | -72.6 | -177.4 | 0 | 0 | 0 | 111 | L264 L341 Q344 | L259-L264 HydrophobicContact CB-CD2 4.39Å; L259-L264 HydrophobicContact CD1-CD2 4.18Å; L259-L341 HydrophobicContact CD1-CD2 3.93Å; L259-Q344 VanDerWaalsContact CG-NE2 3.27Å |
| 260 | P | 76.6 | Confident | 75.4 | Confident | 84 Ų | 84 | 71 Ų | 71 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 142.6 | 171.5 | 26.8 | -32.6 | 0 | 0 | 0 | 109.6 | L262 S263 | P260-L262 PolarHBondContact O-N 3.19Å; P260-L262 VanDerWaalsContact O-N 3.1Å; P260-S263 WeakPolarHBondContact O-CA 3.39Å; P260-S263 WeakPolarHBondContact O-CB 3.32Å; P260-S263 PolarHBondContact O-N 3.04Å |
| 261 | L | 78.8 | Confident | 77.2 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -53.6 | -34.7 | -179.8 | -68.3 | -174.6 | 0 | 0 | 0 | 113.3 | M214 R246 S263 L264 I265 | M214-L261 HydrophobicContact CE-CB 3.93Å; M214-L261 HydrophobicContact CE-CD1 4.07Å; M214-L261 HydrophobicContact CE-CD2 3.68Å; M214-L261 HydrophobicContact CE-CG 4.08Å; R246-L261 HydrophobicContact CB-CD1 3.88Å; R246-L261 WeakPolarHBondContact O-CD1 3.26Å; L261-S263 PolarHBondContact O-N 2.91Å; L261-L264 HydrophobicContact CD2-CD1 4.24Å; L261-L264 WeakPolarHBondContact O-CA 3.36Å; L261-L264 WeakPolarHBondContact O-CB 3.47Å; L261-L264 PolarHBondContact O-N 3.07Å; L261-I265 PolarHBondContact O-N 2.99Å |
| 262 | L | 82.3 | Confident | 79 | Confident | 142 Ų | 142 | 63.4 Ų | 63.4 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59 | -35 | 175.7 | -67.7 | 173.1 | 0 | 0 | 0 | 112.6 | P260 L264 I265 | P260-L262 PolarHBondContact O-N 3.19Å; P260-L262 VanDerWaalsContact O-N 3.1Å; L262-L264 PolarHBondContact O-N 3.15Å; L262-I265 HydrophobicContact CD2-CD1 3.76Å; L262-I265 PolarHBondContact O-N 2.9Å |
| 263 | S | 86.4 | Confident | 80.8 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.8 | -19.4 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 112.7 | P260 L261 P267 | P260-S263 WeakPolarHBondContact O-CA 3.39Å; P260-S263 WeakPolarHBondContact O-CB 3.32Å; P260-S263 PolarHBondContact O-N 3.04Å; L261-S263 PolarHBondContact O-N 2.91Å; S263-P267 VanDerWaalsContact O-CD 3.32Å; S263-P267 WeakPolarHBondContact O-CD 3.4Å |
| 264 | L | 90.9 | Very high | 82.8 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -87.3 | -19.4 | 177.5 | -61.5 | 176.6 | 0 | 0 | 0 | 112.5 | M214 L259 L261 L262 F266 P267 T268 L341 | M214-L264 HydrophobicContact SD-CB 3.94Å; L259-L264 HydrophobicContact CB-CD2 4.39Å; L259-L264 HydrophobicContact CD1-CD2 4.18Å; L261-L264 HydrophobicContact CD2-CD1 4.24Å; L261-L264 WeakPolarHBondContact O-CA 3.36Å; L261-L264 WeakPolarHBondContact O-CB 3.47Å; L261-L264 PolarHBondContact O-N 3.07Å; L262-L264 PolarHBondContact O-N 3.15Å; L264-F266 PolarHBondContact O-N 3.17Å; L264-P267 WeakPolarHBondContact O-CD 3.39Å; L264-P267 WeakPolarHBondContact O-CG 3.39Å; L264-T268 WeakPolarHBondContact O-CB 3.24Å; L264-T268 PolarHBondContact O-N 2.95Å; L264-T268 PolarHBondContact O-OG1 3.36Å; L264-L341 HydrophobicContact CD2-CB 3.8Å |
| 265 | I | 93.4 | Very high | 84.9 | Confident | 52 Ų | 52 | 57 Ų | 57 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.2 | -50.7 | 178.7 | -70.3 | 174.8 | 0 | 0 | 0 | 111.5 | V211 M214 L261 L262 T268 V269 | V211-I265 HydrophobicContact CG1-CD1 4.46Å; V211-I265 HydrophobicContact CG2-CG2 3.91Å; M214-I265 HydrophobicContact SD-CG1 4.31Å; L261-I265 PolarHBondContact O-N 2.99Å; L262-I265 HydrophobicContact CD2-CD1 3.76Å; L262-I265 PolarHBondContact O-N 2.9Å; I265-T268 PolarHBondContact O-N 3.24Å; I265-V269 HydrophobicContact CG2-CG2 4.08Å; I265-V269 WeakPolarHBondContact O-CB 3.35Å; I265-V269 VanDerWaalsContact O-CG2 3.3Å; I265-V269 WeakPolarHBondContact O-CG2 3.43Å; I265-V269 PolarHBondContact O-N 3.07Å |
| 266 | F | 95.1 | Very high | 86.6 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 58% | 0.575 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.1 | -55.2 | -178.7 | 174.3 | -103.8 | 0 | 0 | 0 | 112.9 | L264 T268 L270 M369 | L264-F266 PolarHBondContact O-N 3.17Å; F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 3.13Å; F266-L270 HydrophobicContact CE1-CD2 4.14Å; F266-L270 HydrophobicContact CZ-CD2 3.94Å; F266-L270 WeakPolarHBondContact O-CB 3.46Å; F266-L270 PolarHBondContact O-N 2.72Å; F266-M369 HydrophobicContact CD1-CE 3.91Å; F266-M369 HydrophobicContact CE1-CE 3.76Å; F266-M369 HydrophobicContact CE1-SD 4.16Å |
| 267 | P | 95.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 177.3 | 14.5 | -24.7 | 0 | 0 | 0 | 113.5 | S263 L264 H271 L338 L341 M369 | S263-P267 VanDerWaalsContact O-CD 3.32Å; S263-P267 WeakPolarHBondContact O-CD 3.4Å; L264-P267 WeakPolarHBondContact O-CD 3.39Å; L264-P267 WeakPolarHBondContact O-CG 3.39Å; P267-H271 WeakPolarHBondContact O-CB 3.29Å; P267-H271 PolarHBondContact O-N 3.5Å; P267-L338 HydrophobicContact CB-CD1 3.78Å; P267-L341 HydrophobicContact CB-CD1 4.08Å; P267-L341 HydrophobicContact CG-CD1 4.04Å; P267-M369 HydrophobicContact CB-CE 3.35Å; P267-M369 HydrophobicContact CG-CE 4.32Å |
| 268 | T | 95.5 | Very high | 89.7 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67 | -48.4 | -178.8 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | M214 L264 I265 F266 H271 G272 H342 | M214-T268 HydrophobicContact CB-CG2 4.18Å; M214-T268 HydrophobicContact CG-CG2 4.01Å; L264-T268 WeakPolarHBondContact O-CB 3.24Å; L264-T268 PolarHBondContact O-N 2.95Å; L264-T268 PolarHBondContact O-OG1 3.36Å; I265-T268 PolarHBondContact O-N 3.24Å; F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 3.13Å; T268-H271 PolarHBondContact O-N 3.39Å; T268-G272 PolarHBondContact O-N 3.46Å; T268-H342 PolarHBondContact OG1-CE1 2.62Å; T268-H342 PolarHBondContact OG1-NE2 2.89Å |
| 269 | V | 96.4 | Very high | 90.7 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 16% | 0.158 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -42.2 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | V211 I265 H271 G272 V273 | V211-V269 HydrophobicContact CG2-CG2 3.71Å; I265-V269 HydrophobicContact CG2-CG2 4.08Å; I265-V269 WeakPolarHBondContact O-CB 3.35Å; I265-V269 VanDerWaalsContact O-CG2 3.3Å; I265-V269 WeakPolarHBondContact O-CG2 3.43Å; I265-V269 PolarHBondContact O-N 3.07Å; V269-H271 PolarHBondContact O-N 3.41Å; V269-G272 PolarHBondContact O-N 2.84Å; V269-V273 HydrophobicContact CG1-CG2 3.94Å; V269-V273 VanDerWaalsContact O-CB 3.27Å; V269-V273 WeakPolarHBondContact O-CB 3.46Å; V269-V273 VanDerWaalsContact O-CG2 3.29Å; V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 2.68Å |
| 270 | L | 96.2 | Very high | 91.6 | Very high | 57 Ų | 57 | 42.9 Ų | 42.9 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.6 | -50.5 | 176.9 | -179.5 | 65.9 | 0 | 0 | 0 | 111 | F266 L274 L334 M369 | F266-L270 HydrophobicContact CE1-CD2 4.14Å; F266-L270 HydrophobicContact CZ-CD2 3.94Å; F266-L270 WeakPolarHBondContact O-CB 3.46Å; F266-L270 PolarHBondContact O-N 2.72Å; L270-L274 HydrophobicContact CD1-CD1 3.75Å; L270-L274 HydrophobicContact CD1-CG 4.11Å; L270-L274 HydrophobicContact CG-CD1 3.88Å; L270-L274 VanDerWaalsContact O-CB 3.26Å; L270-L274 WeakPolarHBondContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.19Å; L270-L334 HydrophobicContact CD2-CD1 4.36Å; L270-L334 HydrophobicContact CD2-CD2 4.37Å; L270-L334 HydrophobicContact CG-CD2 4.23Å; L270-M369 HydrophobicContact CD2-CE 3.9Å; L270-M369 HydrophobicContact CD2-SD 4.4Å |
| 271 | H | 96.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 11% | 0.111 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -51.5 | 177.7 | 176.4 | -88.5 | 0 | 0 | 0 | 111.8 | P267 T268 V269 V273 L274 H275 L334 L338 | P267-H271 WeakPolarHBondContact O-CB 3.29Å; P267-H271 PolarHBondContact O-N 3.5Å; T268-H271 PolarHBondContact O-N 3.39Å; V269-H271 PolarHBondContact O-N 3.41Å; H271-V273 PolarHBondContact O-N 3.23Å; H271-L274 PolarHBondContact O-N 3.17Å; H271-H275 VanDerWaalsContact O-CB 3.26Å; H271-H275 WeakPolarHBondContact O-CB 3.43Å; H271-H275 PolarHBondContact O-N 3.15Å; H271-L334 HydrophobicContact CB-CD2 3.94Å; H271-L334 HydrophobicContact CB-CG 4.19Å; H271-L338 HydrophobicContact CB-CD2 3.93Å |
| 272 | G | 94.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y210 T268 V269 H275 Y276 | Y210-G272 PolarHBondContact OH-O 3.43Å; T268-G272 PolarHBondContact O-N 3.46Å; V269-G272 PolarHBondContact O-N 2.84Å; G272-H275 PolarHBondContact O-N 3.25Å; G272-Y276 WeakPolarHBondContact O-CB 3.41Å; G272-Y276 PolarHBondContact O-N 2.97Å |
| 273 | V | 94.7 | Very high | 93.6 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.3 | -43 | 179.1 | 171 | 0 | 0 | 0 | 0 | 111.6 | L203 S207 Y210 V269 H271 H275 Y276 I277 | L203-V273 HydrophobicContact CD2-CG1 4.12Å; S207-V273 WeakPolarHBondContact OG-CG2 3.5Å; Y210-V273 HydrophobicContact CD2-CG2 4.3Å; Y210-V273 HydrophobicContact CE2-CG2 4.34Å; V269-V273 HydrophobicContact CG1-CG2 3.94Å; V269-V273 VanDerWaalsContact O-CB 3.27Å; V269-V273 WeakPolarHBondContact O-CB 3.46Å; V269-V273 VanDerWaalsContact O-CG2 3.29Å; V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 2.68Å; H271-V273 PolarHBondContact O-N 3.23Å; V273-H275 VanDerWaalsContact C-N 3.32Å; V273-H275 PolarHBondContact O-N 3.25Å; V273-Y276 PolarHBondContact O-N 3.39Å; V273-I277 HydrophobicContact CG1-CD1 3.66Å; V273-I277 HydrophobicContact CG1-CG1 4.35Å; V273-I277 VanDerWaalsContact O-CG1 3.27Å; V273-I277 WeakPolarHBondContact O-CG1 3.45Å; V273-I277 PolarHBondContact O-N 2.74Å |
| 274 | L | 95.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 39.6 Ų | 39.6 | 32% | 0.319 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.4 | -74.5 | 175.1 | 0 | 0 | 0 | 111.3 | L270 H271 Y276 I277 I278 L331 L334 | L270-L274 HydrophobicContact CD1-CD1 3.75Å; L270-L274 HydrophobicContact CD1-CG 4.11Å; L270-L274 HydrophobicContact CG-CD1 3.88Å; L270-L274 VanDerWaalsContact O-CB 3.26Å; L270-L274 WeakPolarHBondContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.19Å; H271-L274 PolarHBondContact O-N 3.17Å; L274-Y276 VanDerWaalsContact C-N 3.32Å; L274-Y276 PolarHBondContact O-N 3.08Å; L274-I277 PolarHBondContact O-N 2.72Å; L274-I278 WeakPolarHBondContact O-CB 3.32Å; L274-I278 VanDerWaalsContact O-CG1 3.23Å; L274-I278 WeakPolarHBondContact O-CG1 3.34Å; L274-I278 PolarHBondContact O-N 2.86Å; L274-L331 HydrophobicContact CB-CD1 3.92Å; L274-L331 HydrophobicContact CB-CD2 3.91Å; L274-L331 HydrophobicContact CD1-CD2 4.09Å; L274-L334 HydrophobicContact CD1-CD2 3.91Å |
| 275 | H | 95.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 179.1 | -170.9 | -71.8 | 0 | 0 | 0 | 110.6 | H271 G272 V273 S279 S327 D328 L331 | H271-H275 VanDerWaalsContact O-CB 3.26Å; H271-H275 WeakPolarHBondContact O-CB 3.43Å; H271-H275 PolarHBondContact O-N 3.15Å; G272-H275 PolarHBondContact O-N 3.25Å; V273-H275 VanDerWaalsContact C-N 3.32Å; V273-H275 PolarHBondContact O-N 3.25Å; H275-S279 PolarHBondContact CE1-OG 3.35Å; H275-S279 PolarHBondContact ND1-OG 3.13Å; H275-S279 WeakPolarHBondContact O-CB 3.49Å; H275-S279 PolarHBondContact O-N 3.44Å; H275-S279 PolarHBondContact O-OG 3.46Å; H275-S327 PolarHBondContact CE1-OG 3.48Å; H275-S327 PolarHBondContact NE2-OG 3.27Å; H275-S327 VanDerWaalsContact NE2-OG 3.12Å; H275-D328 IonicContact CD2-OD1 3.02Å; H275-D328 IonicContact CE1-OD1 2.77Å; H275-D328 IonicContact NE2-OD1 3.26Å; H275-D328 PolarHBondContact NE2-OD1 3.22Å; H275-L331 HydrophobicContact CB-CD1 3.55Å |
| 276 | Y | 92.1 | Very high | 94 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.9 | -56.2 | 173.4 | 168.8 | -138.5 | 0 | 0 | 0 | 112.6 | T44 T45 H202 L203 K206 G272 V273 L274 I278 S279 S280 | T44-Y276 HydrophobicContact CG2-CD2 2.98Å; T44-Y276 HydrophobicContact CG2-CE2 3.73Å; T44-Y276 HydrophobicContact CG2-CG 3.46Å; T44-Y276 VanDerWaalsContact CG2-CG 3.46Å; T45-Y276 HydrophobicContact CG2-CE2 4.35Å; T45-Y276 WeakPolarHBondContact CG2-OH 3.37Å; H202-Y276 AromaticContact CD2-CE1 3.5Å; H202-Y276 AromaticContact CD2-CZ 3.57Å; H202-Y276 PolarHBondContact CD2-OH 3.38Å; H202-Y276 AromaticContact NE2-CE1 3.55Å; H202-Y276 AromaticContact NE2-CZ 3.29Å; H202-Y276 VanDerWaalsContact NE2-CZ 3.29Å; H202-Y276 PolarHBondContact NE2-OH 2.78Å; L203-Y276 HydrophobicContact CD2-CD1 3.71Å; L203-Y276 HydrophobicContact CD2-CE1 3.69Å; K206-Y276 HydrophobicContact CG-CD1 4.05Å; K206-Y276 HydrophobicContact CG-CE1 4.07Å; G272-Y276 WeakPolarHBondContact O-CB 3.41Å; G272-Y276 PolarHBondContact O-N 2.97Å; V273-Y276 PolarHBondContact O-N 3.39Å; L274-Y276 VanDerWaalsContact C-N 3.32Å; L274-Y276 PolarHBondContact O-N 3.08Å; Y276-I278 VanDerWaalsContact C-N 3.31Å; Y276-I278 PolarHBondContact O-N 3.5Å; Y276-S279 PolarHBondContact O-N 2.91Å; Y276-S280 VanDerWaalsContact CD2-OG 3.25Å; Y276-S280 WeakPolarHBondContact CD2-OG 3.47Å; Y276-S280 WeakPolarHBondContact CE2-OG 3.42Å; Y276-S280 WeakPolarHBondContact O-CB 3.5Å; Y276-S280 PolarHBondContact O-N 3.01Å; Y276-S280 PolarHBondContact O-OG 3.32Å |
| 277 | I | 92.1 | Very high | 93.8 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 35% | 0.349 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.1 | -47.5 | -175.2 | -69.6 | 167.6 | 0 | 0 | 0 | 110.3 | L203 V273 L274 S280 V281 | L203-I277 HydrophobicContact CD1-CD1 4.36Å; L203-I277 HydrophobicContact CD2-CD1 4.04Å; L203-I277 HydrophobicContact CD2-CG1 3.92Å; V273-I277 HydrophobicContact CG1-CD1 3.66Å; V273-I277 HydrophobicContact CG1-CG1 4.35Å; V273-I277 VanDerWaalsContact O-CG1 3.27Å; V273-I277 WeakPolarHBondContact O-CG1 3.45Å; V273-I277 PolarHBondContact O-N 2.74Å; L274-I277 PolarHBondContact O-N 2.72Å; I277-S280 PolarHBondContact O-N 2.91Å; I277-V281 WeakPolarHBondContact O-CB 3.47Å; I277-V281 VanDerWaalsContact O-CG2 3.23Å; I277-V281 WeakPolarHBondContact O-CG2 3.46Å; I277-V281 PolarHBondContact O-N 3Å |
| 278 | I | 93.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -49 | 180 | -66.8 | 168 | 0 | 0 | 0 | 110.1 | L274 Y276 S280 V281 I282 I330 L331 | L274-I278 WeakPolarHBondContact O-CB 3.32Å; L274-I278 VanDerWaalsContact O-CG1 3.23Å; L274-I278 WeakPolarHBondContact O-CG1 3.34Å; L274-I278 PolarHBondContact O-N 2.86Å; Y276-I278 VanDerWaalsContact C-N 3.31Å; Y276-I278 PolarHBondContact O-N 3.5Å; I278-S280 PolarHBondContact O-N 2.92Å; I278-V281 PolarHBondContact O-N 2.98Å; I278-I282 HydrophobicContact CG2-CD1 3.61Å; I278-I282 HydrophobicContact CG2-CG1 4.37Å; I278-I282 WeakPolarHBondContact O-CB 3.37Å; I278-I282 VanDerWaalsContact O-CG1 3.26Å; I278-I282 WeakPolarHBondContact O-CG1 3.46Å; I278-I282 PolarHBondContact O-N 3.37Å; I278-I330 HydrophobicContact CD1-CG2 3.87Å; I278-I330 HydrophobicContact CG2-CD1 3.98Å; I278-L331 HydrophobicContact CD1-CD1 4.07Å; I278-L331 HydrophobicContact CD1-CD2 4Å; I278-L331 HydrophobicContact CD1-CG 3.94Å |
| 279 | S | 92.9 | Very high | 93.4 | Very high | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 178.5 | -68 | 0 | 0 | 0 | 0 | 111.6 | H275 Y276 V281 I282 Q283 A323 S327 | H275-S279 PolarHBondContact CE1-OG 3.35Å; H275-S279 PolarHBondContact ND1-OG 3.13Å; H275-S279 WeakPolarHBondContact O-CB 3.49Å; H275-S279 PolarHBondContact O-N 3.44Å; H275-S279 PolarHBondContact O-OG 3.46Å; Y276-S279 PolarHBondContact O-N 2.91Å; S279-V281 PolarHBondContact O-N 2.69Å; S279-I282 PolarHBondContact O-N 2.97Å; S279-Q283 WeakPolarHBondContact O-CB 3.35Å; S279-Q283 PolarHBondContact O-N 3.16Å; S279-A323 VanDerWaalsContact O-CB 3.25Å; S279-A323 WeakPolarHBondContact O-CB 3.34Å; S279-S327 WeakPolarHBondContact OG-CB 3.13Å; S279-S327 PolarHBondContact OG-OG 3.01Å |
| 280 | S | 89.3 | Confident | 93 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -35.9 | -178.7 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | Y276 I277 I278 K284 | Y276-S280 VanDerWaalsContact CD2-OG 3.25Å; Y276-S280 WeakPolarHBondContact CD2-OG 3.47Å; Y276-S280 WeakPolarHBondContact CE2-OG 3.42Å; Y276-S280 WeakPolarHBondContact O-CB 3.5Å; Y276-S280 PolarHBondContact O-N 3.01Å; Y276-S280 PolarHBondContact O-OG 3.32Å; I277-S280 PolarHBondContact O-N 2.91Å; I278-S280 PolarHBondContact O-N 2.92Å; S280-K284 WeakPolarHBondContact O-CB 3.26Å; S280-K284 VanDerWaalsContact O-CG 3.27Å; S280-K284 WeakPolarHBondContact O-CG 3.39Å; S280-K284 PolarHBondContact O-N 3.25Å; S280-K284 VanDerWaalsContact O-N 3.07Å |
| 281 | V | 92.4 | Very high | 92.6 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.8 | -47.1 | 174.4 | 169 | 0 | 0 | 0 | 0 | 110.3 | I277 I278 S279 F285 | I277-V281 WeakPolarHBondContact O-CB 3.47Å; I277-V281 VanDerWaalsContact O-CG2 3.23Å; I277-V281 WeakPolarHBondContact O-CG2 3.46Å; I277-V281 PolarHBondContact O-N 3Å; I278-V281 PolarHBondContact O-N 2.98Å; S279-V281 PolarHBondContact O-N 2.69Å; V281-F285 VanDerWaalsContact O-CB 3.28Å; V281-F285 WeakPolarHBondContact O-CB 3.35Å; V281-F285 PolarHBondContact O-N 2.97Å |
| 282 | I | 93.9 | Very high | 92.1 | Very high | 32 Ų | 32 | 59.7 Ų | 59.7 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.3 | -44.1 | -178.5 | -65.3 | 177 | 0 | 0 | 0 | 110.9 | I278 S279 K284 F285 V286 A323 C326 I330 | I278-I282 HydrophobicContact CG2-CD1 3.61Å; I278-I282 HydrophobicContact CG2-CG1 4.37Å; I278-I282 WeakPolarHBondContact O-CB 3.37Å; I278-I282 VanDerWaalsContact O-CG1 3.26Å; I278-I282 WeakPolarHBondContact O-CG1 3.46Å; I278-I282 PolarHBondContact O-N 3.37Å; S279-I282 PolarHBondContact O-N 2.97Å; I282-K284 PolarHBondContact O-N 2.91Å; I282-F285 PolarHBondContact O-N 3.01Å; I282-V286 HydrophobicContact CG2-CG2 4.08Å; I282-V286 WeakPolarHBondContact O-CB 3.2Å; I282-V286 VanDerWaalsContact O-CG2 3.28Å; I282-V286 WeakPolarHBondContact O-CG2 3.36Å; I282-V286 PolarHBondContact O-N 3.03Å; I282-A323 HydrophobicContact CB-CB 4.33Å; I282-A323 HydrophobicContact CG2-CB 4.28Å; I282-C326 HydrophobicContact CD1-CB 3.24Å; I282-C326 HydrophobicContact CG2-CB 4.37Å; I282-I330 HydrophobicContact CD1-CD1 4.45Å |
| 283 | Q | 92.9 | Very high | 91.6 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.5 | -50.7 | 177.1 | -171.1 | -168.5 | -1.1 | 0 | 0 | 110.7 | S279 F285 V286 L287 A319 N320 A323 | S279-Q283 WeakPolarHBondContact O-CB 3.35Å; S279-Q283 PolarHBondContact O-N 3.16Å; Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.3Å; Q283-V286 PolarHBondContact O-N 3.25Å; Q283-L287 HydrophobicContact CG-CD1 4.2Å; Q283-L287 VanDerWaalsContact O-CB 3.26Å; Q283-L287 WeakPolarHBondContact O-CB 3.41Å; Q283-L287 WeakPolarHBondContact O-CG 3.31Å; Q283-L287 PolarHBondContact O-N 3.35Å; Q283-A319 HydrophobicContact CG-CB 4.14Å; Q283-N320 WeakPolarHBondContact CG-OD1 3.31Å; Q283-N320 PolarHBondContact NE2-OD1 3.45Å; Q283-A323 HydrophobicContact CB-CB 3.75Å |
| 284 | K | 91.3 | Very high | 90.8 | Very high | 103 Ų | 103 | 67.6 Ų | 67.6 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 177.7 | -75.5 | 178.1 | 178.7 | 177.6 | 0 | 111.9 | S280 I282 L288 | S280-K284 WeakPolarHBondContact O-CB 3.26Å; S280-K284 VanDerWaalsContact O-CG 3.27Å; S280-K284 WeakPolarHBondContact O-CG 3.39Å; S280-K284 PolarHBondContact O-N 3.25Å; S280-K284 VanDerWaalsContact O-N 3.07Å; I282-K284 PolarHBondContact O-N 2.91Å; K284-L288 VanDerWaalsContact O-CB 3.3Å; K284-L288 WeakPolarHBondContact O-CB 3.33Å; K284-L288 PolarHBondContact O-N 3.35Å |
| 285 | F | 94.1 | Very high | 89.7 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.9 | -47.4 | 178.4 | 179.6 | -106.7 | 0 | 0 | 0 | 112.3 | V281 I282 Q283 L288 I289 | V281-F285 VanDerWaalsContact O-CB 3.28Å; V281-F285 WeakPolarHBondContact O-CB 3.35Å; V281-F285 PolarHBondContact O-N 2.97Å; I282-F285 PolarHBondContact O-N 3.01Å; Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.3Å; F285-L288 PolarHBondContact O-N 2.79Å; F285-I289 HydrophobicContact CD1-CD1 3.85Å; F285-I289 HydrophobicContact CE1-CD1 3.34Å; F285-I289 HydrophobicContact CE2-CD1 4.07Å; F285-I289 HydrophobicContact CG-CD1 4.41Å; F285-I289 HydrophobicContact CZ-CD1 3.48Å; F285-I289 VanDerWaalsContact CZ-CD1 3.48Å; F285-I289 HydrophobicContact CZ-CG1 4.47Å; F285-I289 WeakPolarHBondContact O-CG1 3.44Å; F285-I289 PolarHBondContact O-N 3.02Å |
| 286 | V | 94.1 | Very high | 88.8 | Confident | 27 Ų | 27 | 75.3 Ų | 75.3 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | I282 Q283 L288 I289 L290 A319 A322 | I282-V286 HydrophobicContact CG2-CG2 4.08Å; I282-V286 WeakPolarHBondContact O-CB 3.2Å; I282-V286 VanDerWaalsContact O-CG2 3.28Å; I282-V286 WeakPolarHBondContact O-CG2 3.36Å; I282-V286 PolarHBondContact O-N 3.03Å; Q283-V286 PolarHBondContact O-N 3.25Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 3.28Å; V286-I289 PolarHBondContact O-N 3.22Å; V286-L290 HydrophobicContact CG1-CD1 3.76Å; V286-L290 HydrophobicContact CG1-CG 4.18Å; V286-L290 WeakPolarHBondContact O-CB 3.43Å; V286-L290 VanDerWaalsContact O-CG 3.31Å; V286-L290 WeakPolarHBondContact O-CG 3.1Å; V286-L290 PolarHBondContact O-N 3.47Å; V286-A319 HydrophobicContact CB-CB 4.02Å; V286-A319 HydrophobicContact CG1-CB 3.86Å; V286-A322 HydrophobicContact CG1-CB 4.42Å; V286-A322 HydrophobicContact CG2-CB 4.03Å |
| 287 | L | 90.6 | Very high | 87.7 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.2 | -43.5 | 173.3 | -82.6 | 176.4 | 0 | 0 | 0 | 112 | Q283 L290 K291 E316 A319 | Q283-L287 HydrophobicContact CG-CD1 4.2Å; Q283-L287 VanDerWaalsContact O-CB 3.26Å; Q283-L287 WeakPolarHBondContact O-CB 3.41Å; Q283-L287 WeakPolarHBondContact O-CG 3.31Å; Q283-L287 PolarHBondContact O-N 3.35Å; L287-L290 PolarHBondContact O-N 3.21Å; L287-K291 WeakPolarHBondContact O-CB 3.22Å; L287-K291 WeakPolarHBondContact O-CG 3.45Å; L287-K291 PolarHBondContact O-N 2.92Å; L287-E316 HydrophobicContact CD2-CB 4.34Å; L287-A319 HydrophobicContact CB-CB 4.39Å; L287-A319 HydrophobicContact CD1-CB 4.45Å; L287-A319 HydrophobicContact CD2-CB 3.75Å; L287-A319 HydrophobicContact CG-CB 3.48Å; L287-A319 VanDerWaalsContact CG-CB 3.48Å |
| 288 | L | 91.2 | Very high | 86.5 | Confident | 109 Ų | 109 | 78.5 Ų | 78.5 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 178.2 | -175.1 | 155.8 | 0 | 0 | 0 | 111.2 | K284 F285 V286 R292 | K284-L288 VanDerWaalsContact O-CB 3.3Å; K284-L288 WeakPolarHBondContact O-CB 3.33Å; K284-L288 PolarHBondContact O-N 3.35Å; F285-L288 PolarHBondContact O-N 2.79Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 3.28Å; L288-R292 VanDerWaalsContact O-CB 3.26Å; L288-R292 WeakPolarHBondContact O-CB 3.48Å; L288-R292 PolarHBondContact O-N 3.31Å |
| 289 | I | 92.3 | Very high | 85.1 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 177.7 | -69.9 | 171.4 | 0 | 0 | 0 | 110.9 | F285 V286 R292 K293 | F285-I289 HydrophobicContact CD1-CD1 3.85Å; F285-I289 HydrophobicContact CE1-CD1 3.34Å; F285-I289 HydrophobicContact CE2-CD1 4.07Å; F285-I289 HydrophobicContact CG-CD1 4.41Å; F285-I289 HydrophobicContact CZ-CD1 3.48Å; F285-I289 VanDerWaalsContact CZ-CD1 3.48Å; F285-I289 HydrophobicContact CZ-CG1 4.47Å; F285-I289 WeakPolarHBondContact O-CG1 3.44Å; F285-I289 PolarHBondContact O-N 3.02Å; V286-I289 PolarHBondContact O-N 3.22Å; I289-R292 PolarHBondContact O-N 3.2Å; I289-K293 WeakPolarHBondContact O-CB 3.34Å; I289-K293 PolarHBondContact O-N 3.29Å |
| 290 | L | 88.9 | Confident | 83.6 | Confident | 38 Ų | 38 | 87.2 Ų | 87.2 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.7 | -46.6 | -177.9 | -67.2 | 175.7 | 0 | 0 | 0 | 111.5 | V286 L287 R292 K293 T294 P315 I318 | V286-L290 HydrophobicContact CG1-CD1 3.76Å; V286-L290 HydrophobicContact CG1-CG 4.18Å; V286-L290 WeakPolarHBondContact O-CB 3.43Å; V286-L290 VanDerWaalsContact O-CG 3.31Å; V286-L290 WeakPolarHBondContact O-CG 3.1Å; V286-L290 PolarHBondContact O-N 3.47Å; L287-L290 PolarHBondContact O-N 3.21Å; L290-R292 VanDerWaalsContact C-N 3.33Å; L290-R292 PolarHBondContact O-N 2.93Å; L290-K293 WeakPolarHBondContact O-CB 3.19Å; L290-K293 PolarHBondContact O-N 3.47Å; L290-K293 VanDerWaalsContact O-N 3.14Å; L290-T294 PolarHBondContact O-N 3.44Å; L290-T294 PolarHBondContact O-OG1 3.45Å; L290-T294 VanDerWaalsContact O-OG1 3.1Å; L290-P315 HydrophobicContact CB-CB 4.01Å; L290-P315 HydrophobicContact CD1-CB 4Å; L290-P315 WeakPolarHBondContact CD1-O 3.14Å; L290-I318 HydrophobicContact CD1-CB 3.99Å; L290-I318 HydrophobicContact CD1-CG2 3.82Å |
| 291 | K | 85.9 | Confident | 82.2 | Confident | 141 Ų | 141 | 93.6 Ų | 93.6 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.4 | -39.9 | 176.4 | -74.2 | -175.4 | 176.9 | -175.9 | 0 | 112.2 | L287 K293 T294 Y295 | L287-K291 WeakPolarHBondContact O-CB 3.22Å; L287-K291 WeakPolarHBondContact O-CG 3.45Å; L287-K291 PolarHBondContact O-N 2.92Å; K291-K293 VanDerWaalsContact C-N 3.34Å; K291-K293 PolarHBondContact O-N 3.49Å; K291-T294 PolarHBondContact O-N 3.02Å; K291-Y295 WeakPolarHBondContact O-CB 3.46Å; K291-Y295 PolarHBondContact O-N 3.05Å |
| 292 | R | 86.3 | Confident | 80.4 | Confident | 174 Ų | 174 | 95.5 Ų | 95.5 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 175.3 | -174.4 | 173.8 | -178.8 | 163.7 | 0.3 | 111.8 | L288 I289 L290 N296 | L288-R292 VanDerWaalsContact O-CB 3.26Å; L288-R292 WeakPolarHBondContact O-CB 3.48Å; L288-R292 PolarHBondContact O-N 3.31Å; I289-R292 PolarHBondContact O-N 3.2Å; L290-R292 VanDerWaalsContact C-N 3.33Å; L290-R292 PolarHBondContact O-N 2.93Å; R292-N296 PolarHBondContact O-N 2.93Å |
| 293 | K | 83.9 | Confident | 78.7 | Confident | 155 Ų | 155 | 96.5 Ų | 96.5 | 67% | 0.674 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 176.6 | -171.4 | 177.1 | 179.5 | -179.8 | 0 | 111.6 | I289 L290 K291 N296 S297 | I289-K293 WeakPolarHBondContact O-CB 3.34Å; I289-K293 PolarHBondContact O-N 3.29Å; L290-K293 WeakPolarHBondContact O-CB 3.19Å; L290-K293 PolarHBondContact O-N 3.47Å; L290-K293 VanDerWaalsContact O-N 3.14Å; K291-K293 VanDerWaalsContact C-N 3.34Å; K291-K293 PolarHBondContact O-N 3.49Å; K293-N296 PolarHBondContact O-N 3.04Å; K293-S297 PolarHBondContact O-N 3.23Å; K293-S297 VanDerWaalsContact O-N 3.13Å |
| 294 | T | 77.7 | Confident | 77.1 | Confident | 41 Ų | 41 | 97.7 Ų | 97.7 | 25% | 0.252 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | L290 K291 N296 S297 H298 D311 | L290-T294 PolarHBondContact O-N 3.44Å; L290-T294 PolarHBondContact O-OG1 3.45Å; L290-T294 VanDerWaalsContact O-OG1 3.1Å; K291-T294 PolarHBondContact O-N 3.02Å; T294-N296 PolarHBondContact O-N 3.41Å; T294-S297 WeakPolarHBondContact O-CB 3.36Å; T294-S297 PolarHBondContact O-N 2.89Å; T294-S297 VanDerWaalsContact O-N 3.12Å; T294-H298 PolarHBondContact O-N 3.33Å; T294-D311 HydrophobicContact CG2-CB 4.36Å |
| 295 | Y | 73.1 | Confident | 75.5 | Confident | 161 Ų | 161 | 98 Ų | 98 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.7 | -46.8 | 176.6 | 177.8 | -98.6 | 0 | 0 | 0 | 112.3 | K291 S297 H298 L299 | K291-Y295 WeakPolarHBondContact O-CB 3.46Å; K291-Y295 PolarHBondContact O-N 3.05Å; Y295-S297 VanDerWaalsContact C-N 3.26Å; Y295-S297 PolarHBondContact O-N 3.49Å; Y295-H298 PolarHBondContact O-N 3.35Å; Y295-L299 PolarHBondContact O-N 3.41Å |
| 296 | N | 75.9 | Confident | 73.7 | Confident | 100 Ų | 100 | 93.7 Ų | 93.7 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -30.7 | 177.6 | -71.8 | -11.8 | 0 | 0 | 0 | 112.7 | R292 K293 T294 | R292-N296 PolarHBondContact O-N 2.93Å; K293-N296 PolarHBondContact O-N 3.04Å; T294-N296 PolarHBondContact O-N 3.41Å |
| 297 | S | 70 | Confident | 72.3 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.5 | -39.5 | 177.3 | -159.5 | 0 | 0 | 0 | 0 | 112.4 | K293 T294 Y295 L299 A300 | K293-S297 PolarHBondContact O-N 3.23Å; K293-S297 VanDerWaalsContact O-N 3.13Å; T294-S297 WeakPolarHBondContact O-CB 3.36Å; T294-S297 PolarHBondContact O-N 2.89Å; T294-S297 VanDerWaalsContact O-N 3.12Å; Y295-S297 VanDerWaalsContact C-N 3.26Å; Y295-S297 PolarHBondContact O-N 3.49Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 3.06Å; S297-A300 WeakPolarHBondContact O-CB 3.27Å; S297-A300 PolarHBondContact O-N 2.86Å |
| 298 | H | 66.2 | Low | 71 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.7 | -23.3 | 179.6 | -113.5 | -80.3 | 0 | 0 | 0 | 113.4 | T294 Y295 A300 T303 | T294-H298 PolarHBondContact O-N 3.33Å; Y295-H298 PolarHBondContact O-N 3.35Å; H298-A300 PolarHBondContact O-N 3Å; H298-T303 VanDerWaalsContact CE1-CB 3.49Å; H298-T303 WeakPolarHBondContact CE1-CB 3.43Å; H298-T303 PolarHBondContact CE1-OG1 3Å; H298-T303 PolarHBondContact ND1-OG1 2.95Å |
| 299 | L | 64.4 | Low | 69.6 | Low | 140 Ų | 140 | 94.3 Ų | 94.3 | 73% | 0.733 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.1 | 172.1 | -153.7 | 82.1 | 0 | 0 | 0 | 112.3 | Y295 S297 | Y295-L299 PolarHBondContact O-N 3.41Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 3.06Å |
| 300 | A | 60.7 | Low | 68.4 | Low | 83 Ų | 83 | 90.6 Ų | 90.6 | 69% | 0.686 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -17.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S297 H298 | S297-A300 WeakPolarHBondContact O-CB 3.27Å; S297-A300 PolarHBondContact O-N 2.86Å; H298-A300 PolarHBondContact O-N 3Å |
| 301 | E | 59.7 | Low | 67.5 | Low | 147 Ų | 147 | 91.3 Ų | 91.3 | 69% | 0.687 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -146.7 | 139.3 | -176.9 | -92.9 | 179.1 | 163.2 | 0 | 0 | 113.4 | T303 | E301-T303 PolarHBondContact O-N 3.27Å; E301-T303 PolarHBondContact O-OG1 3.45Å |
| 302 | S | 55.8 | Low | 66.8 | Low | 132 Ų | 132 | 87.4 Ų | 87.4 | 92% | 0.923 | 48% | 0.48 | S | S | * | . | trans | -74.7 | 89.7 | 171.5 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 303 | T | 57.6 | Low | 66.4 | Low | 53 Ų | 53 | 84.3 Ų | 84.3 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | trans | -79.8 | 144.2 | -175.2 | -19 | 0 | 0 | 0 | 0 | 112.1 | H298 E301 Q307 | H298-T303 VanDerWaalsContact CE1-CB 3.49Å; H298-T303 WeakPolarHBondContact CE1-CB 3.43Å; H298-T303 PolarHBondContact CE1-OG1 3Å; H298-T303 PolarHBondContact ND1-OG1 2.95Å; E301-T303 PolarHBondContact O-N 3.27Å; E301-T303 PolarHBondContact O-OG1 3.45Å; T303-Q307 HydrophobicContact CG2-CB 3.8Å; T303-Q307 HydrophobicContact CG2-CG 3.63Å | ||
| 304 | S | 59.8 | Low | 66.4 | Low | 53 Ų | 53 | 77.3 Ų | 77.3 | 37% | 0.371 | 44% | 0.439 | S | S | . | . | trans | -65 | 149.7 | 177 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | V306 Q307 S308 | S304-V306 PolarHBondContact O-N 3.04Å; S304-V306 VanDerWaalsContact O-N 3.08Å; S304-Q307 PolarHBondContact O-N 2.77Å; S304-S308 PolarHBondContact O-N 2.63Å | ||
| 305 | P | 56.7 | Low | 66.8 | Low | 108 Ų | 108 | 76 Ų | 76 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.9 | -176.5 | 23.2 | -33.8 | 0 | 0 | 0 | 113.5 | ||
| 306 | V | 56.6 | Low | 67.4 | Low | 39 Ų | 39 | 71.6 Ų | 71.6 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -36.8 | -179.1 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | S304 S308 M309 L414 | S304-V306 PolarHBondContact O-N 3.04Å; S304-V306 VanDerWaalsContact O-N 3.08Å; V306-S308 VanDerWaalsContact C-N 3.28Å; V306-S308 PolarHBondContact O-N 3.25Å; V306-M309 PolarHBondContact O-N 3.34Å; V306-L414 HydrophobicContact CG1-CD1 3.8Å; V306-L414 HydrophobicContact CG1-CD2 3.49Å; V306-L414 VanDerWaalsContact CG1-CD2 3.49Å; V306-L414 HydrophobicContact CG1-CG 4.11Å |
| 307 | Q | 64.9 | Low | 67.9 | Low | 78 Ų | 78 | 68 Ų | 68 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 175 | -170.9 | 64.4 | 34.1 | 0 | 0 | 111.4 | T303 S304 M309 L310 D311 | T303-Q307 HydrophobicContact CG2-CB 3.8Å; T303-Q307 HydrophobicContact CG2-CG 3.63Å; S304-Q307 PolarHBondContact O-N 2.77Å; Q307-M309 PolarHBondContact O-N 3.02Å; Q307-L310 PolarHBondContact O-N 3.37Å; Q307-D311 PolarHBondContact O-N 3Å |
| 308 | S | 63 | Low | 68.8 | Low | 56 Ų | 56 | 67.2 Ų | 67.2 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.1 | -28.2 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 114.1 | S304 V306 A312 | S304-S308 PolarHBondContact O-N 2.63Å; V306-S308 VanDerWaalsContact C-N 3.28Å; V306-S308 PolarHBondContact O-N 3.25Å; S308-A312 PolarHBondContact O-N 2.95Å |
| 309 | M | 62.1 | Low | 70 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -83.3 | -38 | 178.4 | -73.1 | -176.7 | -65.8 | 0 | 0 | 113.4 | N98 V306 Q307 D311 A312 Y313 | N98-M309 HydrophobicContact CB-CE 4.02Å; N98-M309 HydrophobicContact CB-SD 3.92Å; N98-M309 WeakPolarHBondContact ND2-CE 3.36Å; N98-M309 WeakPolarHBondContact OD1-CE 3.38Å; V306-M309 PolarHBondContact O-N 3.34Å; Q307-M309 PolarHBondContact O-N 3.02Å; M309-D311 PolarHBondContact O-N 3.16Å; M309-A312 WeakPolarHBondContact O-CA 3.36Å; M309-A312 WeakPolarHBondContact O-CB 3.38Å; M309-A312 PolarHBondContact O-N 2.72Å; M309-Y313 WeakPolarHBondContact O-CD2 3.39Å; M309-Y313 PolarHBondContact O-N 3.33Å; M309-Y313 VanDerWaalsContact O-N 3.12Å |
| 310 | L | 67.5 | Low | 71.2 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 170.4 | -151.6 | 156 | 0 | 0 | 0 | 109.2 | Q307 A312 F314 K407 Y410 L414 | Q307-L310 PolarHBondContact O-N 3.37Å; L310-A312 PolarHBondContact O-N 2.81Å; L310-F314 HydrophobicContact CB-CD2 4.47Å; L310-F314 HydrophobicContact CD1-CE2 4.45Å; L310-F314 HydrophobicContact CD2-CB 4.48Å; L310-F314 HydrophobicContact CD2-CD2 3.18Å; L310-F314 HydrophobicContact CD2-CE2 3.45Å; L310-F314 VanDerWaalsContact CD2-CE2 3.45Å; L310-F314 HydrophobicContact CD2-CG 3.88Å; L310-F314 HydrophobicContact CD2-CZ 4.36Å; L310-F314 HydrophobicContact CG-CD2 3.6Å; L310-F314 HydrophobicContact CG-CE2 3.6Å; L310-F314 WeakPolarHBondContact O-CB 3.36Å; L310-F314 WeakPolarHBondContact O-CD2 3.42Å; L310-F314 PolarHBondContact O-N 3.44Å; L310-F314 VanDerWaalsContact O-N 3.12Å; L310-K407 HydrophobicContact CD2-CG 4.41Å; L310-Y410 HydrophobicContact CB-CE1 4.29Å; L310-Y410 HydrophobicContact CD1-CD1 3.32Å; L310-Y410 HydrophobicContact CD1-CE1 3.77Å; L310-Y410 HydrophobicContact CD1-CG 4.38Å; L310-Y410 HydrophobicContact CG-CD1 3.73Å; L310-Y410 HydrophobicContact CG-CE1 3.98Å; L310-L414 HydrophobicContact CD1-CD1 3.9Å |
| 311 | D | 69.5 | Low | 72.7 | Confident | 53 Ų | 53 | 56 Ų | 56 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.7 | -9.8 | 173.3 | -67.4 | -26 | 0 | 0 | 0 | 114.4 | T294 Q307 M309 P315 | T294-D311 HydrophobicContact CG2-CB 4.36Å; Q307-D311 PolarHBondContact O-N 3Å; M309-D311 PolarHBondContact O-N 3.16Å; D311-P315 VanDerWaalsContact O-CD 3.24Å; D311-P315 WeakPolarHBondContact O-CD 3.2Å; D311-P315 WeakPolarHBondContact O-CG 3.27Å |
| 312 | A | 72.5 | Confident | 74.4 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 49% | 0.488 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -90.1 | -48 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S308 M309 L310 | S308-A312 PolarHBondContact O-N 2.95Å; M309-A312 WeakPolarHBondContact O-CA 3.36Å; M309-A312 WeakPolarHBondContact O-CB 3.38Å; M309-A312 PolarHBondContact O-N 2.72Å; L310-A312 PolarHBondContact O-N 2.81Å |
| 313 | Y | 77.3 | Confident | 76.2 | Confident | 109 Ų | 109 | 43.8 Ų | 43.8 | 43% | 0.427 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -81 | -41.3 | -174.8 | -65.7 | -74.6 | 0 | 0 | 0 | 113.6 | M309 E316 L317 | M309-Y313 WeakPolarHBondContact O-CD2 3.39Å; M309-Y313 PolarHBondContact O-N 3.33Å; M309-Y313 VanDerWaalsContact O-N 3.12Å; Y313-E316 PolarHBondContact O-N 3.2Å; Y313-L317 WeakPolarHBondContact O-CG 3.38Å; Y313-L317 PolarHBondContact O-N 3.4Å; Y313-L317 VanDerWaalsContact O-N 3.1Å |
| 314 | F | 82.9 | Confident | 77.9 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | -175.5 | -85.1 | -89.7 | 0 | 0 | 0 | 113.9 | I105 L310 E316 L317 I318 L403 T406 K407 Y410 | I105-F314 HydrophobicContact CD1-CE2 4.12Å; I105-F314 HydrophobicContact CD1-CZ 4.49Å; L310-F314 HydrophobicContact CB-CD2 4.47Å; L310-F314 HydrophobicContact CD1-CE2 4.45Å; L310-F314 HydrophobicContact CD2-CB 4.48Å; L310-F314 HydrophobicContact CD2-CD2 3.18Å; L310-F314 HydrophobicContact CD2-CE2 3.45Å; L310-F314 VanDerWaalsContact CD2-CE2 3.45Å; L310-F314 HydrophobicContact CD2-CG 3.88Å; L310-F314 HydrophobicContact CD2-CZ 4.36Å; L310-F314 HydrophobicContact CG-CD2 3.6Å; L310-F314 HydrophobicContact CG-CE2 3.6Å; L310-F314 WeakPolarHBondContact O-CB 3.36Å; L310-F314 WeakPolarHBondContact O-CD2 3.42Å; L310-F314 PolarHBondContact O-N 3.44Å; L310-F314 VanDerWaalsContact O-N 3.12Å; F314-E316 VanDerWaalsContact C-N 3.26Å; F314-E316 PolarHBondContact O-N 3.38Å; F314-L317 PolarHBondContact O-N 2.81Å; F314-I318 WeakPolarHBondContact O-CB 3.4Å; F314-I318 VanDerWaalsContact O-CG1 3.25Å; F314-I318 WeakPolarHBondContact O-CG1 3.49Å; F314-I318 PolarHBondContact O-N 3.02Å; F314-L403 HydrophobicContact CD1-CD2 4.35Å; F314-L403 HydrophobicContact CE1-CD2 4.43Å; F314-T406 HydrophobicContact CZ-CG2 4.49Å; F314-K407 HydrophobicContact CD1-CB 4.22Å; F314-K407 HydrophobicContact CD1-CD 4.3Å; F314-K407 HydrophobicContact CD1-CG 4.13Å; F314-K407 HydrophobicContact CE1-CB 3.41Å; F314-K407 VanDerWaalsContact CE1-CB 3.41Å; F314-K407 HydrophobicContact CE1-CD 4.31Å; F314-K407 HydrophobicContact CE1-CG 3.71Å; F314-K407 HydrophobicContact CZ-CB 3.71Å; F314-K407 HydrophobicContact CZ-CG 3.93Å; F314-Y410 HydrophobicContact CE2-CD1 4.39Å |
| 315 | P | 87 | Confident | 79.5 | Confident | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -35.4 | 174.9 | -29.8 | 39.7 | 0 | 0 | 0 | 113.8 | L290 D311 A319 | L290-P315 HydrophobicContact CB-CB 4.01Å; L290-P315 HydrophobicContact CD1-CB 4Å; L290-P315 WeakPolarHBondContact CD1-O 3.14Å; D311-P315 VanDerWaalsContact O-CD 3.24Å; D311-P315 WeakPolarHBondContact O-CD 3.2Å; D311-P315 WeakPolarHBondContact O-CG 3.27Å; P315-A319 VanDerWaalsContact O-CB 3.26Å; P315-A319 WeakPolarHBondContact O-CB 3.29Å; P315-A319 PolarHBondContact O-N 3.11Å |
| 316 | E | 85.7 | Confident | 81.4 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 176.1 | -171 | 168.4 | -177.7 | 0 | 0 | 111.5 | L287 Y313 F314 I318 A319 N320 | L287-E316 HydrophobicContact CD2-CB 4.34Å; Y313-E316 PolarHBondContact O-N 3.2Å; F314-E316 VanDerWaalsContact C-N 3.26Å; F314-E316 PolarHBondContact O-N 3.38Å; E316-I318 PolarHBondContact O-N 3.17Å; E316-A319 PolarHBondContact O-N 3.26Å; E316-N320 WeakPolarHBondContact O-CB 3.34Å; E316-N320 PolarHBondContact O-N 3.34Å; E316-N320 PolarHBondContact O-ND2 2.95Å; E316-N320 PolarHBondContact O-OD1 3.31Å |
| 317 | L | 86.4 | Confident | 83.3 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 175 | -64.6 | 166.9 | 0 | 0 | 0 | 112.4 | I105 Y313 F314 A319 N320 F321 L403 | I105-L317 HydrophobicContact CG2-CD1 3.22Å; I105-L317 HydrophobicContact CG2-CD2 4.48Å; I105-L317 HydrophobicContact CG2-CG 4.44Å; Y313-L317 WeakPolarHBondContact O-CG 3.38Å; Y313-L317 PolarHBondContact O-N 3.4Å; Y313-L317 VanDerWaalsContact O-N 3.1Å; F314-L317 PolarHBondContact O-N 2.81Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-N320 PolarHBondContact O-N 3.43Å; L317-F321 VanDerWaalsContact O-CB 3.23Å; L317-F321 WeakPolarHBondContact O-CB 3.28Å; L317-F321 PolarHBondContact O-N 2.79Å; L317-L403 HydrophobicContact CB-CD1 3.98Å |
| 318 | I | 89.4 | Confident | 84.7 | Confident | 61 Ų | 61 | 35.3 Ų | 35.3 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.4 | -67.9 | 166.1 | 0 | 0 | 0 | 110.6 | L290 F314 E316 A322 L403 | L290-I318 HydrophobicContact CD1-CB 3.99Å; L290-I318 HydrophobicContact CD1-CG2 3.82Å; F314-I318 WeakPolarHBondContact O-CB 3.4Å; F314-I318 VanDerWaalsContact O-CG1 3.25Å; F314-I318 WeakPolarHBondContact O-CG1 3.49Å; F314-I318 PolarHBondContact O-N 3.02Å; E316-I318 PolarHBondContact O-N 3.17Å; I318-A322 VanDerWaalsContact O-CB 3.32Å; I318-A322 WeakPolarHBondContact O-CB 3.39Å; I318-A322 PolarHBondContact O-N 3.42Å; I318-L403 HydrophobicContact CG1-CD2 4.32Å |
| 319 | A | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q283 V286 L287 P315 E316 L317 A322 A323 | Q283-A319 HydrophobicContact CG-CB 4.14Å; V286-A319 HydrophobicContact CB-CB 4.02Å; V286-A319 HydrophobicContact CG1-CB 3.86Å; L287-A319 HydrophobicContact CB-CB 4.39Å; L287-A319 HydrophobicContact CD1-CB 4.45Å; L287-A319 HydrophobicContact CD2-CB 3.75Å; L287-A319 HydrophobicContact CG-CB 3.48Å; L287-A319 VanDerWaalsContact CG-CB 3.48Å; P315-A319 VanDerWaalsContact O-CB 3.26Å; P315-A319 WeakPolarHBondContact O-CB 3.29Å; P315-A319 PolarHBondContact O-N 3.11Å; E316-A319 PolarHBondContact O-N 3.26Å; L317-A319 VanDerWaalsContact C-N 3.34Å; A319-A322 PolarHBondContact O-N 2.65Å; A319-A323 WeakPolarHBondContact O-CB 3.4Å; A319-A323 PolarHBondContact O-N 2.93Å |
| 320 | N | 89.4 | Confident | 88 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 175 | -67.7 | -7.3 | 0 | 0 | 0 | 111 | Q283 E316 L317 A322 A323 S324 | Q283-N320 WeakPolarHBondContact CG-OD1 3.31Å; Q283-N320 PolarHBondContact NE2-OD1 3.45Å; E316-N320 WeakPolarHBondContact O-CB 3.34Å; E316-N320 PolarHBondContact O-N 3.34Å; E316-N320 PolarHBondContact O-ND2 2.95Å; E316-N320 PolarHBondContact O-OD1 3.31Å; L317-N320 PolarHBondContact O-N 3.43Å; N320-A322 PolarHBondContact O-N 3.3Å; N320-A323 PolarHBondContact O-N 3.49Å; N320-S324 WeakPolarHBondContact O-CB 3.28Å; N320-S324 PolarHBondContact O-N 3.01Å |
| 321 | F | 91.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 17% | 0.167 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.4 | -50.6 | 174 | 170.3 | -90.6 | 0 | 0 | 0 | 111.5 | L317 S324 L325 Y396 H399 A400 | L317-F321 VanDerWaalsContact O-CB 3.23Å; L317-F321 WeakPolarHBondContact O-CB 3.28Å; L317-F321 PolarHBondContact O-N 2.79Å; F321-S324 PolarHBondContact O-N 3.34Å; F321-L325 HydrophobicContact CE1-CD2 4.13Å; F321-L325 HydrophobicContact CZ-CD2 4.31Å; F321-L325 WeakPolarHBondContact O-CB 3.38Å; F321-L325 PolarHBondContact O-N 2.96Å; F321-Y396 HydrophobicContact CD2-CD1 4.23Å; F321-Y396 AromaticContact CE2-CD1 3.73Å; F321-Y396 HydrophobicContact CE2-CD1 3.73Å; F321-Y396 WeakPolarHBondContact CE2-O 3.2Å; F321-Y396 HydrophobicContact CZ-CD1 4.18Å; F321-H399 HydrophobicContact CD2-CB 4.4Å; F321-H399 AromaticContact CD2-CG 4Å; F321-H399 AromaticContact CD2-ND1 3.45Å; F321-H399 WeakPolarHBondContact CD2-ND1 3.41Å; F321-H399 HydrophobicContact CE2-CB 4.15Å; F321-A400 HydrophobicContact CE2-CB 4.04Å; F321-A400 HydrophobicContact CZ-CB 3.95Å |
| 322 | A | 94.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V286 I318 A319 N320 C326 | V286-A322 HydrophobicContact CG1-CB 4.42Å; V286-A322 HydrophobicContact CG2-CB 4.03Å; I318-A322 VanDerWaalsContact O-CB 3.32Å; I318-A322 WeakPolarHBondContact O-CB 3.39Å; I318-A322 PolarHBondContact O-N 3.42Å; A319-A322 PolarHBondContact O-N 2.65Å; N320-A322 PolarHBondContact O-N 3.3Å; A322-C326 VanDerWaalsContact O-CB 3.31Å; A322-C326 WeakPolarHBondContact O-CB 3.46Å; A322-C326 PolarHBondContact O-N 3.42Å; A322-C326 PolarHBondContact O-SG 2.87Å |
| 323 | A | 94.4 | Very high | 92 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S279 I282 Q283 A319 N320 S327 | S279-A323 VanDerWaalsContact O-CB 3.25Å; S279-A323 WeakPolarHBondContact O-CB 3.34Å; I282-A323 HydrophobicContact CB-CB 4.33Å; I282-A323 HydrophobicContact CG2-CB 4.28Å; Q283-A323 HydrophobicContact CB-CB 3.75Å; A319-A323 WeakPolarHBondContact O-CB 3.4Å; A319-A323 PolarHBondContact O-N 2.93Å; N320-A323 PolarHBondContact O-N 3.49Å; A323-S327 VanDerWaalsContact O-CB 3.31Å; A323-S327 WeakPolarHBondContact O-CB 3.48Å; A323-S327 PolarHBondContact O-N 2.88Å; A323-S327 PolarHBondContact O-OG 3.49Å |
| 324 | S | 92.2 | Very high | 92.9 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 26% | 0.259 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 178.4 | -163.1 | 0 | 0 | 0 | 0 | 111.5 | N320 F321 C326 S327 D328 Y396 | N320-S324 WeakPolarHBondContact O-CB 3.28Å; N320-S324 PolarHBondContact O-N 3.01Å; F321-S324 PolarHBondContact O-N 3.34Å; S324-C326 PolarHBondContact O-N 2.89Å; S324-S327 WeakPolarHBondContact CA-OG 3.29Å; S324-S327 PolarHBondContact O-N 3.3Å; S324-S327 PolarHBondContact O-OG 2.91Å; S324-D328 WeakPolarHBondContact O-CB 3.3Å; S324-D328 PolarHBondContact O-N 3.32Å; S324-Y396 PolarHBondContact O-OH 3.48Å; S324-Y396 PolarHBondContact OG-OH 3.43Å |
| 325 | L | 94.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 28% | 0.277 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.2 | -49.9 | 177.1 | 173.2 | 60.5 | 0 | 0 | 0 | 111.9 | F321 V329 Y396 | F321-L325 HydrophobicContact CE1-CD2 4.13Å; F321-L325 HydrophobicContact CZ-CD2 4.31Å; F321-L325 WeakPolarHBondContact O-CB 3.38Å; F321-L325 PolarHBondContact O-N 2.96Å; L325-V329 HydrophobicContact CD1-CG2 4.03Å; L325-V329 WeakPolarHBondContact O-CB 3.3Å; L325-V329 VanDerWaalsContact O-CG2 3.24Å; L325-V329 WeakPolarHBondContact O-CG2 3.46Å; L325-V329 PolarHBondContact O-N 2.68Å; L325-Y396 VanDerWaalsContact CA-CE1 3.49Å; L325-Y396 HydrophobicContact CB-CD1 3.75Å; L325-Y396 HydrophobicContact CB-CE1 3.7Å; L325-Y396 HydrophobicContact CB-CG 4.29Å; L325-Y396 HydrophobicContact CD1-CD1 3.99Å; L325-Y396 HydrophobicContact CD1-CD2 3.72Å; L325-Y396 HydrophobicContact CD1-CE1 4.42Å; L325-Y396 HydrophobicContact CD1-CE2 4.18Å; L325-Y396 HydrophobicContact CD1-CG 3.62Å; L325-Y396 HydrophobicContact CG-CD1 4.36Å; L325-Y396 HydrophobicContact CG-CG 4.45Å; L325-Y396 PolarHBondContact N-OH 3.37Å |
| 326 | C | 96.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 29.9 Ų | 29.9 | 33% | 0.331 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.4 | -38.5 | -175.7 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | I282 A322 S324 V329 I330 | I282-C326 HydrophobicContact CD1-CB 3.24Å; I282-C326 HydrophobicContact CG2-CB 4.37Å; A322-C326 VanDerWaalsContact O-CB 3.31Å; A322-C326 WeakPolarHBondContact O-CB 3.46Å; A322-C326 PolarHBondContact O-N 3.42Å; A322-C326 PolarHBondContact O-SG 2.87Å; S324-C326 PolarHBondContact O-N 2.89Å; C326-V329 PolarHBondContact O-N 3.5Å; C326-I330 WeakPolarHBondContact O-CB 3.27Å; C326-I330 WeakPolarHBondContact O-CD1 3.42Å; C326-I330 WeakPolarHBondContact O-CG1 3.48Å; C326-I330 PolarHBondContact O-N 3.43Å |
| 327 | S | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | H275 S279 A323 S324 V329 I330 L331 | H275-S327 PolarHBondContact CE1-OG 3.48Å; H275-S327 PolarHBondContact NE2-OG 3.27Å; H275-S327 VanDerWaalsContact NE2-OG 3.12Å; S279-S327 WeakPolarHBondContact OG-CB 3.13Å; S279-S327 PolarHBondContact OG-OG 3.01Å; A323-S327 VanDerWaalsContact O-CB 3.31Å; A323-S327 WeakPolarHBondContact O-CB 3.48Å; A323-S327 PolarHBondContact O-N 2.88Å; A323-S327 PolarHBondContact O-OG 3.49Å; S324-S327 WeakPolarHBondContact CA-OG 3.29Å; S324-S327 PolarHBondContact O-N 3.3Å; S324-S327 PolarHBondContact O-OG 2.91Å; S327-V329 PolarHBondContact O-N 3.47Å; S327-I330 PolarHBondContact O-N 3.27Å; S327-L331 WeakPolarHBondContact O-CB 3.42Å; S327-L331 PolarHBondContact O-N 3.42Å |
| 328 | D | 94.9 | Very high | 95.1 | Very high | 15 Ų | 15 | 25.7 Ų | 25.7 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.2 | -79 | 4.2 | 0 | 0 | 0 | 112.3 | R124 H275 S324 Y332 Y396 | R124-D328 IonicContact NH1-OD2 2.86Å; H275-D328 IonicContact CD2-OD1 3.02Å; H275-D328 IonicContact CE1-OD1 2.77Å; H275-D328 IonicContact NE2-OD1 3.26Å; H275-D328 PolarHBondContact NE2-OD1 3.22Å; S324-D328 WeakPolarHBondContact O-CB 3.3Å; S324-D328 PolarHBondContact O-N 3.32Å; D328-Y332 WeakPolarHBondContact O-CA 3.27Å; D328-Y332 VanDerWaalsContact O-CB 3.32Å; D328-Y332 WeakPolarHBondContact O-CB 3.45Å; D328-Y332 PolarHBondContact O-N 3.23Å; D328-Y396 HydrophobicContact CB-CE2 4.32Å; D328-Y396 VanDerWaalsContact CG-OH 3.27Å; D328-Y396 WeakPolarHBondContact OD2-CE2 3.37Å; D328-Y396 PolarHBondContact OD2-OH 3.44Å |
| 329 | V | 96.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 22.9 Ų | 22.9 | 32% | 0.315 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -68.3 | -44.6 | 178.5 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L325 C326 S327 F389 | L325-V329 HydrophobicContact CD1-CG2 4.03Å; L325-V329 WeakPolarHBondContact O-CB 3.3Å; L325-V329 VanDerWaalsContact O-CG2 3.24Å; L325-V329 WeakPolarHBondContact O-CG2 3.46Å; L325-V329 PolarHBondContact O-N 2.68Å; C326-V329 PolarHBondContact O-N 3.5Å; S327-V329 PolarHBondContact O-N 3.47Å; V329-F389 HydrophobicContact CG1-CE2 4.41Å; V329-F389 HydrophobicContact CG1-CZ 4.31Å; V329-F389 HydrophobicContact CG2-CE2 4.09Å; V329-F389 HydrophobicContact CG2-CZ 3.95Å |
| 330 | I | 97.3 | Very high | 95.6 | Very high | 100 Ų | 100 | 22.9 Ų | 22.9 | 51% | 0.513 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -67.7 | -41.1 | -178.7 | -69.1 | 165.8 | 0 | 0 | 0 | 110.7 | I278 I282 C326 S327 | I278-I330 HydrophobicContact CD1-CG2 3.87Å; I278-I330 HydrophobicContact CG2-CD1 3.98Å; I282-I330 HydrophobicContact CD1-CD1 4.45Å; C326-I330 WeakPolarHBondContact O-CB 3.27Å; C326-I330 WeakPolarHBondContact O-CD1 3.42Å; C326-I330 WeakPolarHBondContact O-CG1 3.48Å; C326-I330 PolarHBondContact O-N 3.43Å; S327-I330 PolarHBondContact O-N 3.27Å |
| 331 | L | 97.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 22 Ų | 22 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -92.8 | 1.4 | -176.6 | -65.1 | 175.9 | 0 | 0 | 0 | 114.3 | L274 H275 I278 S327 P333 L334 E335 | L274-L331 HydrophobicContact CB-CD1 3.92Å; L274-L331 HydrophobicContact CB-CD2 3.91Å; L274-L331 HydrophobicContact CD1-CD2 4.09Å; H275-L331 HydrophobicContact CB-CD1 3.55Å; I278-L331 HydrophobicContact CD1-CD1 4.07Å; I278-L331 HydrophobicContact CD1-CD2 4Å; I278-L331 HydrophobicContact CD1-CG 3.94Å; S327-L331 WeakPolarHBondContact O-CB 3.42Å; S327-L331 PolarHBondContact O-N 3.42Å; L331-P333 VanDerWaalsContact C-CD 3.44Å; L331-P333 VanDerWaalsContact C-N 3.31Å; L331-L334 HydrophobicContact CD2-CD2 4.19Å; L331-L334 WeakPolarHBondContact O-CB 3.39Å; L331-L334 PolarHBondContact O-N 3.43Å; L331-E335 PolarHBondContact O-N 3.45Å |
| 332 | Y | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -48 | -46.4 | 179.3 | -159.5 | -76.3 | 0 | 0 | 0 | 113.5 | R124 Q128 D328 L334 E335 T336 F385 Y386 K387 G388 F389 V392 | R124-Y332 HydrophobicContact CG-CE2 4.18Å; R124-Y332 VanDerWaalsContact NH2-CE2 3.34Å; Q128-Y332 HydrophobicContact CG-CE1 4.21Å; D328-Y332 WeakPolarHBondContact O-CA 3.27Å; D328-Y332 VanDerWaalsContact O-CB 3.32Å; D328-Y332 WeakPolarHBondContact O-CB 3.45Å; D328-Y332 PolarHBondContact O-N 3.23Å; Y332-L334 VanDerWaalsContact C-N 3.35Å; Y332-L334 PolarHBondContact O-N 2.91Å; Y332-E335 PolarHBondContact O-N 3.41Å; Y332-T336 PolarHBondContact O-N 3.32Å; Y332-T336 PolarHBondContact O-OG1 3.12Å; Y332-T336 VanDerWaalsContact O-OG1 3.13Å; Y332-F385 WeakPolarHBondContact CD1-O 3.34Å; Y332-F385 WeakPolarHBondContact CE1-O 3.48Å; Y332-Y386 AromaticContact CD1-CD1 3.9Å; Y332-Y386 HydrophobicContact CD1-CD1 3.9Å; Y332-Y386 HydrophobicContact CD1-CG 4.44Å; Y332-Y386 HydrophobicContact CG-CD1 4.22Å; Y332-K387 PolarHBondContact OH-O 2.77Å; Y332-G388 PolarHBondContact OH-O 3.19Å; Y332-F389 AromaticContact CD2-CD2 3.73Å; Y332-F389 HydrophobicContact CD2-CD2 3.73Å; Y332-F389 HydrophobicContact CD2-CE2 4.17Å; Y332-F389 AromaticContact CE2-CD2 3.85Å; Y332-F389 HydrophobicContact CE2-CD2 3.85Å; Y332-F389 HydrophobicContact CG-CD2 4.1Å; Y332-F389 PolarHBondContact OH-N 3.19Å; Y332-V392 HydrophobicContact CD2-CG2 4.11Å; Y332-V392 HydrophobicContact CE2-CG2 3.57Å |
| 333 | P | 97.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 19.6 Ų | 19.6 | 20% | 0.201 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.6 | -24.6 | 37.4 | 0 | 0 | 0 | 113.2 | L331 T336 V337 F385 Y386 | L331-P333 VanDerWaalsContact C-CD 3.44Å; L331-P333 VanDerWaalsContact C-N 3.31Å; P333-T336 PolarHBondContact O-N 3.17Å; P333-V337 WeakPolarHBondContact O-CG2 3.31Å; P333-V337 PolarHBondContact O-N 3.05Å; P333-F385 HydrophobicContact CB-CB 3.92Å; P333-F385 HydrophobicContact CB-CD1 4.04Å; P333-F385 HydrophobicContact CB-CG 4.19Å; P333-F385 HydrophobicContact CG-CB 4.4Å; P333-Y386 HydrophobicContact CG-CE1 4.02Å; P333-Y386 HydrophobicContact CG-CE2 4.05Å; P333-Y386 WeakPolarHBondContact CG-OH 3.3Å |
| 334 | L | 97.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 19.5 Ų | 19.5 | 15% | 0.147 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.4 | -38.8 | 178.7 | -179.9 | 61.6 | 0 | 0 | 0 | 110.8 | L270 H271 L274 L331 Y332 V337 L338 M369 | L270-L334 HydrophobicContact CD2-CD1 4.36Å; L270-L334 HydrophobicContact CD2-CD2 4.37Å; L270-L334 HydrophobicContact CG-CD2 4.23Å; H271-L334 HydrophobicContact CB-CD2 3.94Å; H271-L334 HydrophobicContact CB-CG 4.19Å; L274-L334 HydrophobicContact CD1-CD2 3.91Å; L331-L334 HydrophobicContact CD2-CD2 4.19Å; L331-L334 WeakPolarHBondContact O-CB 3.39Å; L331-L334 PolarHBondContact O-N 3.43Å; Y332-L334 VanDerWaalsContact C-N 3.35Å; Y332-L334 PolarHBondContact O-N 2.91Å; L334-V337 PolarHBondContact O-N 2.94Å; L334-L338 WeakPolarHBondContact O-CB 3.2Å; L334-L338 PolarHBondContact O-N 2.97Å; L334-M369 HydrophobicContact CD1-CE 4.02Å; L334-M369 HydrophobicContact CD1-SD 4.25Å |
| 335 | E | 97.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 18.1 Ų | 18.1 | 8% | 0.075 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.9 | -169 | -174.6 | 134.7 | 0 | 0 | 111.8 | R124 L331 Y332 V337 L338 H339 | R124-E335 IonicContact CZ-OE1 3.57Å; R124-E335 IonicContact CZ-OE2 2.67Å; R124-E335 VanDerWaalsContact CZ-OE2 3.23Å; R124-E335 IonicContact NE-OE1 3.44Å; R124-E335 PolarHBondContact NE-OE1 3.38Å; R124-E335 IonicContact NH1-OE1 3.35Å; R124-E335 IonicContact NH1-OE2 3.86Å; R124-E335 IonicContact NH2-OE1 2.73Å; R124-E335 PolarHBondContact NH2-OE1 3.4Å; R124-E335 IonicContact NH2-OE2 3.56Å; R124-E335 PolarHBondContact NH2-OE2 2.95Å; L331-E335 PolarHBondContact O-N 3.45Å; Y332-E335 PolarHBondContact O-N 3.41Å; E335-V337 VanDerWaalsContact C-N 3.33Å; E335-V337 PolarHBondContact O-N 2.96Å; E335-L338 WeakPolarHBondContact O-CB 3.35Å; E335-L338 PolarHBondContact O-N 3.23Å; E335-H339 VanDerWaalsContact CG-CE1 3.48Å; E335-H339 WeakPolarHBondContact CG-CE1 3.48Å; E335-H339 PolarHBondContact O-N 2.99Å; E335-H339 IonicContact OE1-CE1 3.95Å; E335-H339 PolarHBondContact OE1-CE1 3.04Å; E335-H339 IonicContact OE1-ND1 3.69Å; E335-H339 IonicContact OE1-NE2 2.87Å |
| 336 | T | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | Q128 Y332 P333 R340 F385 | Q128-T336 HydrophobicContact CB-CG2 4.18Å; Q128-T336 HydrophobicContact CG-CG2 4.32Å; Q128-T336 WeakPolarHBondContact CG-OG1 3.47Å; Q128-T336 PolarHBondContact NE2-OG1 3.49Å; Y332-T336 PolarHBondContact O-N 3.32Å; Y332-T336 PolarHBondContact O-OG1 3.12Å; Y332-T336 VanDerWaalsContact O-OG1 3.13Å; P333-T336 PolarHBondContact O-N 3.17Å; T336-R340 WeakPolarHBondContact O-CG 3.24Å; T336-R340 PolarHBondContact O-N 2.92Å; T336-F385 WeakPolarHBondContact CB-O 3.3Å; T336-F385 PolarHBondContact OG1-O 3.21Å |
| 337 | V | 97.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | P333 L334 E335 H339 R340 L341 M369 C372 I373 I376 F385 | P333-V337 WeakPolarHBondContact O-CG2 3.31Å; P333-V337 PolarHBondContact O-N 3.05Å; L334-V337 PolarHBondContact O-N 2.94Å; E335-V337 VanDerWaalsContact C-N 3.33Å; E335-V337 PolarHBondContact O-N 2.96Å; V337-H339 PolarHBondContact O-N 2.83Å; V337-R340 PolarHBondContact O-N 2.86Å; V337-L341 HydrophobicContact CG1-CD1 3.9Å; V337-L341 HydrophobicContact CG1-CG 4.33Å; V337-L341 VanDerWaalsContact O-CG 3.29Å; V337-L341 WeakPolarHBondContact O-CG 3.36Å; V337-L341 PolarHBondContact O-N 2.92Å; V337-M369 HydrophobicContact CG1-CB 4.5Å; V337-M369 HydrophobicContact CG1-CG 3.65Å; V337-C372 HydrophobicContact CG1-CB 4.1Å; V337-I373 HydrophobicContact CG1-CG1 4.24Å; V337-I373 HydrophobicContact CG2-CG1 3.71Å; V337-I376 HydrophobicContact CG2-CD1 3.89Å; V337-F385 HydrophobicContact CG2-CD1 4.17Å; V337-F385 HydrophobicContact CG2-CE1 3.84Å |
| 338 | L | 96.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.8 | -53.3 | 178.1 | -178.3 | 68.9 | 0 | 0 | 0 | 111 | Y217 P267 H271 L334 E335 R340 L341 H342 | Y217-L338 HydrophobicContact CE1-CD2 4.15Å; Y217-L338 HydrophobicContact CE1-CG 4.4Å; P267-L338 HydrophobicContact CB-CD1 3.78Å; H271-L338 HydrophobicContact CB-CD2 3.93Å; L334-L338 WeakPolarHBondContact O-CB 3.2Å; L334-L338 PolarHBondContact O-N 2.97Å; E335-L338 WeakPolarHBondContact O-CB 3.35Å; E335-L338 PolarHBondContact O-N 3.23Å; L338-R340 VanDerWaalsContact C-N 3.29Å; L338-R340 PolarHBondContact O-N 2.62Å; L338-L341 PolarHBondContact O-N 2.87Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L338-H342 VanDerWaalsContact CD1-CD2 3.41Å; L338-H342 WeakPolarHBondContact CD1-CD2 3.39Å; L338-H342 VanDerWaalsContact CD1-NE2 3.31Å; L338-H342 WeakPolarHBondContact CD1-NE2 3.29Å; L338-H342 PolarHBondContact O-CD2 3.03Å; L338-H342 VanDerWaalsContact O-CD2 3.24Å; L338-H342 PolarHBondContact O-N 2.99Å |
| 339 | H | 96.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57 | -42.5 | -178.9 | -70.9 | 161.5 | 0 | 0 | 0 | 112.6 | Q128 V129 Y217 L221 E335 V337 H342 I343 | Q128-H339 PolarHBondContact OE1-CE1 3.18Å; Q128-H339 PolarHBondContact OE1-ND1 2.92Å; V129-H339 HydrophobicContact CG1-CB 3.93Å; Y217-H339 PolarHBondContact OH-CD2 2.9Å; Y217-H339 PolarHBondContact OH-NE2 3.26Å; L221-H339 HydrophobicContact CD1-CB 4.42Å; L221-H339 HydrophobicContact CD2-CB 4.15Å; E335-H339 VanDerWaalsContact CG-CE1 3.48Å; E335-H339 WeakPolarHBondContact CG-CE1 3.48Å; E335-H339 PolarHBondContact O-N 2.99Å; E335-H339 IonicContact OE1-CE1 3.95Å; E335-H339 PolarHBondContact OE1-CE1 3.04Å; E335-H339 IonicContact OE1-ND1 3.69Å; E335-H339 IonicContact OE1-NE2 2.87Å; V337-H339 PolarHBondContact O-N 2.83Å; H339-H342 PolarHBondContact O-N 2.83Å; H339-I343 VanDerWaalsContact O-CG2 3.28Å; H339-I343 WeakPolarHBondContact O-CG2 3.49Å; H339-I343 PolarHBondContact O-N 3.26Å; H339-I343 VanDerWaalsContact O-N 3.15Å |
| 340 | R | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.6 | -75.6 | 173.8 | 174.4 | -133.8 | 10.3 | 113 | Q128 T336 V337 L338 Q344 Y366 E380 | Q128-R340 PolarHBondContact O-NE 3.39Å; Q128-R340 PolarHBondContact O-NH2 2.7Å; T336-R340 WeakPolarHBondContact O-CG 3.24Å; T336-R340 PolarHBondContact O-N 2.92Å; V337-R340 PolarHBondContact O-N 2.86Å; L338-R340 VanDerWaalsContact C-N 3.29Å; L338-R340 PolarHBondContact O-N 2.62Å; R340-Q344 PolarHBondContact O-N 3.27Å; R340-Q344 VanDerWaalsContact O-N 3.14Å; R340-Y366 HydrophobicContact CB-CE2 3.87Å; R340-Y366 PolarHBondContact NH1-OH 2.98Å; R340-E380 IonicContact CZ-OE1 2.6Å; R340-E380 VanDerWaalsContact CZ-OE1 3.26Å; R340-E380 IonicContact CZ-OE2 3.29Å; R340-E380 IonicContact NH1-OE1 3.96Å; R340-E380 PolarHBondContact NH1-OE1 3.33Å; R340-E380 IonicContact NH1-OE2 3.13Å; R340-E380 VanDerWaalsContact NH2-CD 3.33Å; R340-E380 IonicContact NH2-OE1 3.95Å; R340-E380 PolarHBondContact NH2-OE1 3.26Å; R340-E380 IonicContact NH2-OE2 3.19Å; R340-E380 PolarHBondContact NH2-OE2 3.32Å |
| 341 | L | 94 | Very high | 92.4 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.2 | -36.7 | 176.6 | -67.3 | 172.7 | 0 | 0 | 0 | 112.4 | L259 L264 P267 V337 L338 Q344 Y366 M369 C372 | L259-L341 HydrophobicContact CD1-CD2 3.93Å; L264-L341 HydrophobicContact CD2-CB 3.8Å; P267-L341 HydrophobicContact CB-CD1 4.08Å; P267-L341 HydrophobicContact CG-CD1 4.04Å; V337-L341 HydrophobicContact CG1-CD1 3.9Å; V337-L341 HydrophobicContact CG1-CG 4.33Å; V337-L341 VanDerWaalsContact O-CG 3.29Å; V337-L341 WeakPolarHBondContact O-CG 3.36Å; V337-L341 PolarHBondContact O-N 2.92Å; L338-L341 PolarHBondContact O-N 2.87Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L341-Q344 WeakPolarHBondContact O-CG 3.46Å; L341-Y366 HydrophobicContact CD2-CD2 4.32Å; L341-Y366 HydrophobicContact CD2-CG 4.5Å; L341-M369 HydrophobicContact CD1-CB 3.95Å; L341-M369 HydrophobicContact CD1-CG 4.34Å; L341-C372 HydrophobicContact CD2-CB 4Å; L341-C372 HydrophobicContact CG-CB 4.48Å |
| 342 | H | 91.7 | Very high | 92 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.9 | -29.4 | 179.7 | -85.8 | -87.4 | 0 | 0 | 0 | 113.6 | Y217 S218 L221 T268 L338 H339 | Y217-H342 AromaticContact CD1-CE1 3.91Å; Y217-H342 AromaticContact CE1-CD2 3.94Å; Y217-H342 AromaticContact CE1-NE2 3.91Å; S218-H342 PolarHBondContact OG-CE1 2.9Å; S218-H342 PolarHBondContact OG-ND1 3.35Å; L221-H342 HydrophobicContact CD2-CB 3.58Å; T268-H342 PolarHBondContact OG1-CE1 2.62Å; T268-H342 PolarHBondContact OG1-NE2 2.89Å; L338-H342 VanDerWaalsContact CD1-CD2 3.41Å; L338-H342 WeakPolarHBondContact CD1-CD2 3.39Å; L338-H342 VanDerWaalsContact CD1-NE2 3.31Å; L338-H342 WeakPolarHBondContact CD1-NE2 3.29Å; L338-H342 PolarHBondContact O-CD2 3.03Å; L338-H342 VanDerWaalsContact O-CD2 3.24Å; L338-H342 PolarHBondContact O-N 2.99Å; H339-H342 PolarHBondContact O-N 2.83Å |
| 343 | I | 89.8 | Confident | 91.7 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -97.7 | -20.8 | -175.2 | -164.1 | 156.3 | 0 | 0 | 0 | 114.8 | V129 I222 V225 H339 G345 T346 T348 I362 | V129-I343 HydrophobicContact CB-CG2 4.23Å; V129-I343 HydrophobicContact CG1-CG2 3.95Å; I222-I343 HydrophobicContact CG1-CG1 4.4Å; V225-I343 HydrophobicContact CB-CD1 4.37Å; V225-I343 HydrophobicContact CG2-CD1 3.1Å; H339-I343 VanDerWaalsContact O-CG2 3.28Å; H339-I343 WeakPolarHBondContact O-CG2 3.49Å; H339-I343 PolarHBondContact O-N 3.26Å; H339-I343 VanDerWaalsContact O-N 3.15Å; I343-G345 PolarHBondContact O-N 3Å; I343-T346 WeakPolarHBondContact O-CG2 3.34Å; I343-T346 PolarHBondContact O-N 3.36Å; I343-T346 PolarHBondContact O-OG1 3.46Å; I343-T348 HydrophobicContact CD1-CG2 4.03Å; I343-I362 HydrophobicContact CD1-CG1 4.32Å; I343-I362 HydrophobicContact CG1-CG1 4.32Å; I343-I362 HydrophobicContact CG2-CG2 4.28Å |
| 344 | Q | 89.1 | Confident | 91.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 143.5 | 179.8 | 64.8 | 177.9 | -31.2 | 0 | 0 | 111.7 | L258 L259 R340 L341 T346 | L258-Q344 WeakPolarHBondContact CD1-O 3.3Å; L259-Q344 VanDerWaalsContact CG-NE2 3.27Å; R340-Q344 PolarHBondContact O-N 3.27Å; R340-Q344 VanDerWaalsContact O-N 3.14Å; L341-Q344 WeakPolarHBondContact O-CG 3.46Å; Q344-T346 VanDerWaalsContact C-N 3.29Å; Q344-T346 PolarHBondContact O-N 2.76Å |
| 345 | G | 80.2 | Confident | 90.4 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -4.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I343 R347 | I343-G345 PolarHBondContact O-N 3Å; G345-R347 VanDerWaalsContact C-N 3.32Å; G345-R347 PolarHBondContact O-N 3.04Å |
| 346 | T | 81.3 | Confident | 89.5 | Confident | 24 Ų | 24 | 20.5 Ų | 20.5 | 15% | 0.147 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -82.6 | -2 | -178.6 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | I222 L258 I343 Q344 T348 | I222-T346 HydrophobicContact CD1-CG2 3.61Å; I222-T346 HydrophobicContact CG1-CG2 4.27Å; L258-T346 HydrophobicContact CD1-CG2 3.9Å; I343-T346 WeakPolarHBondContact O-CG2 3.34Å; I343-T346 PolarHBondContact O-N 3.36Å; I343-T346 PolarHBondContact O-OG1 3.46Å; Q344-T346 VanDerWaalsContact C-N 3.29Å; Q344-T346 PolarHBondContact O-N 2.76Å; T346-T348 PolarHBondContact O-N 3.49Å; T346-T348 WeakPolarHBondContact OG1-CB 3.29Å; T346-T348 PolarHBondContact OG1-N 3.1Å; T346-T348 PolarHBondContact OG1-OG1 2.52Å |
| 347 | R | 81.8 | Confident | 88.6 | Confident | 194 Ų | 194 | 27 Ų | 27 | 73% | 0.732 | 12% | 0.123 | S | C | * | . | trans | 57.1 | 23 | -171.4 | -54.9 | 179.2 | 177.6 | 171.3 | -1 | 113.6 | G345 | G345-R347 VanDerWaalsContact C-N 3.32Å; G345-R347 PolarHBondContact O-N 3.04Å | ||
| 348 | T | 87.9 | Confident | 88 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | trans | -66.2 | 138 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | I222 V225 Q226 I343 T346 I350 I362 | I222-T348 HydrophobicContact CG2-CG2 4.33Å; I222-T348 WeakPolarHBondContact CG2-OG1 3.4Å; V225-T348 HydrophobicContact CG2-CG2 4.38Å; Q226-T348 HydrophobicContact CB-CG2 3.91Å; Q226-T348 HydrophobicContact CG-CG2 4.28Å; I343-T348 HydrophobicContact CD1-CG2 4.03Å; T346-T348 PolarHBondContact O-N 3.49Å; T346-T348 WeakPolarHBondContact OG1-CB 3.29Å; T346-T348 PolarHBondContact OG1-N 3.1Å; T346-T348 PolarHBondContact OG1-OG1 2.52Å; T348-I350 HydrophobicContact CG2-CG2 4.18Å; T348-I362 PolarHBondContact O-N 3.3Å | ||
| 349 | I | 90.3 | Very high | 87.7 | Confident | 54 Ų | 54 | 33.7 Ų | 33.7 | 28% | 0.277 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.6 | 171.7 | -61.2 | 168.3 | 0 | 0 | 0 | 107.4 | Q226 S227 I230 V359 L360 P361 | Q226-I349 WeakPolarHBondContact CA-O 3.48Å; S227-I349 PolarHBondContact N-O 2.9Å; I230-I349 HydrophobicContact CD1-CB 3.54Å; I230-I349 HydrophobicContact CD1-CD1 3.65Å; I230-I349 HydrophobicContact CD1-CG1 4.18Å; I230-I349 HydrophobicContact CD1-CG2 3.26Å; I349-V359 HydrophobicContact CG2-CB 3.66Å; I349-V359 HydrophobicContact CG2-CG2 3.92Å; I349-L360 CarbonylContact C-O 3.16Å; I349-L360 WeakPolarHBondContact CA-O 3.31Å; I349-P361 HydrophobicContact CG1-CB 4.38Å |
| 350 | I | 92.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 166.5 | -177.5 | 62.5 | 162.5 | 0 | 0 | 0 | 110.8 | V129 N130 V225 T348 V359 L360 I362 | V129-I350 HydrophobicContact CG2-CD1 4.17Å; V129-I350 HydrophobicContact CG2-CG2 4.06Å; N130-I350 HydrophobicContact CB-CD1 3.81Å; V225-I350 HydrophobicContact CB-CG2 4.19Å; V225-I350 HydrophobicContact CG2-CG2 4.28Å; T348-I350 HydrophobicContact CG2-CG2 4.18Å; I350-V359 CarbonylContact O-C 3.48Å; I350-V359 VanDerWaalsContact O-CA 3.23Å; I350-V359 WeakPolarHBondContact O-CA 3.42Å; I350-V359 WeakPolarHBondContact O-CB 3Å; I350-L360 HydrophobicContact CG1-CB 4.16Å; I350-L360 VanDerWaalsContact CG1-O 3.3Å; I350-L360 WeakPolarHBondContact CG1-O 3.41Å; I350-L360 PolarHBondContact N-O 3.48Å; I350-L360 PolarHBondContact O-N 3.29Å; I350-I362 HydrophobicContact CD1-CD1 3.82Å; I350-I362 HydrophobicContact CG1-CD1 4.05Å; I350-I362 HydrophobicContact CG2-CD1 3.8Å; I350-I362 HydrophobicContact CG2-CG1 3.93Å |
| 351 | D | 91.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139.7 | 172.2 | -56.1 | -64.3 | 0 | 0 | 0 | 109.9 | Q126 F150 Q154 K161 S227 T353 | Q126-D351 PolarHBondContact NE2-OD2 3.14Å; F150-D351 HydrophobicContact CE1-CB 3.75Å; F150-D351 HydrophobicContact CE2-CB 3.88Å; F150-D351 HydrophobicContact CZ-CB 3.26Å; Q154-D351 PolarHBondContact NE2-OD1 2.67Å; K161-D351 IonicContact NZ-OD2 2.68Å; K161-D351 PolarHBondContact NZ-OD2 2.83Å; S227-D351 WeakPolarHBondContact CB-OD1 3.3Å; S227-D351 PolarHBondContact OG-OD1 3.31Å; D351-T353 PolarHBondContact O-N 3.21Å |
| 352 | N | 90.7 | Very high | 86.8 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | trans | -71.8 | 109.8 | 176.2 | -172.9 | -16.6 | 0 | 0 | 0 | 109.9 | D354 G356 E358 L360 | N352-D354 VanDerWaalsContact C-N 3.32Å; N352-D354 PolarHBondContact O-N 3.25Å; N352-D354 WeakPolarHBondContact OD1-CB 3.27Å; N352-D354 PolarHBondContact OD1-N 3.43Å; N352-G356 WeakPolarHBondContact O-CA 3.02Å; N352-G356 PolarHBondContact O-N 2.85Å; N352-E358 HydrophobicContact CB-CB 3.9Å; N352-E358 VanDerWaalsContact CB-O 3.26Å; N352-E358 WeakPolarHBondContact CB-O 3.39Å; N352-E358 PolarHBondContact N-O 3.07Å; N352-L360 HydrophobicContact CB-CD1 3.83Å; N352-L360 HydrophobicContact CB-CG 3.97Å | ||
| 353 | T | 90.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -19.9 | -179.9 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | Q126 N130 H137 I146 F150 D351 | Q126-T353 HydrophobicContact CB-CG2 3.83Å; N130-T353 PolarHBondContact ND2-OG1 2.8Å; H137-T353 PolarHBondContact CE1-O 3Å; H137-T353 PolarHBondContact NE2-O 3.48Å; I146-T353 WeakPolarHBondContact CD1-O 3.43Å; I146-T353 WeakPolarHBondContact CG1-O 3.2Å; F150-T353 HydrophobicContact CZ-CG2 4.49Å; D351-T353 PolarHBondContact O-N 3.21Å |
| 354 | D | 86.4 | Confident | 86.2 | Confident | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -46.2 | 178.1 | -72.2 | -44.9 | 0 | 0 | 0 | 111.8 | A133 Q134 H135 H137 N352 | A133-D354 VanDerWaalsContact CA-OD2 3.3Å; A133-D354 WeakPolarHBondContact CA-OD2 3.34Å; Q134-D354 PolarHBondContact N-OD1 3.18Å; Q134-D354 PolarHBondContact N-OD2 2.95Å; H135-D354 WeakPolarHBondContact CA-OD1 3.37Å; H135-D354 VanDerWaalsContact CB-OD1 3.3Å; H135-D354 WeakPolarHBondContact CB-OD1 3.39Å; H135-D354 IonicContact CG-OD1 3.58Å; H135-D354 PolarHBondContact N-OD1 3.06Å; H135-D354 IonicContact ND1-OD1 3.1Å; H135-D354 PolarHBondContact ND1-OD1 3.36Å; H135-D354 VanDerWaalsContact ND1-OD1 3.1Å; H137-D354 IonicContact NE2-OD1 3.96Å; N352-D354 VanDerWaalsContact C-N 3.32Å; N352-D354 PolarHBondContact O-N 3.25Å; N352-D354 WeakPolarHBondContact OD1-CB 3.27Å; N352-D354 PolarHBondContact OD1-N 3.43Å |
| 355 | L | 81.5 | Confident | 86.1 | Confident | 77 Ų | 77 | 50.6 Ų | 50.6 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -32.7 | -172.9 | -66 | 178.2 | 0 | 0 | 0 | 112.8 | Y357 E358 | L355-Y357 HydrophobicContact CB-CD1 4.12Å; L355-Y357 HydrophobicContact CB-CE1 3.7Å; L355-Y357 HydrophobicContact CB-CE2 4.45Å; L355-Y357 HydrophobicContact CD1-CE2 4.47Å; L355-Y357 HydrophobicContact CD2-CE1 4.46Å; L355-Y357 WeakPolarHBondContact O-CD1 3.39Å; L355-Y357 WeakPolarHBondContact O-CE1 3.39Å; L355-E358 HydrophobicContact CD1-CG 4.33Å; L355-E358 WeakPolarHBondContact CD1-OE2 3.46Å |
| 356 | G | 78.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 84.3 | 0.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S149 F150 T153 N352 | S149-G356 PolarHBondContact OG-O 3.27Å; F150-G356 WeakPolarHBondContact CD1-O 3.4Å; T153-G356 PolarHBondContact OG1-O 2.98Å; N352-G356 WeakPolarHBondContact O-CA 3.02Å; N352-G356 PolarHBondContact O-N 2.85Å |
| 357 | Y | 78.3 | Confident | 87.1 | Confident | 137 Ų | 137 | 57.9 Ų | 57.9 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -136.9 | -1.5 | -176.7 | 57.6 | -97.7 | 0 | 0 | 0 | 114.8 | L355 | L355-Y357 HydrophobicContact CB-CD1 4.12Å; L355-Y357 HydrophobicContact CB-CE1 3.7Å; L355-Y357 HydrophobicContact CB-CE2 4.45Å; L355-Y357 HydrophobicContact CD1-CE2 4.47Å; L355-Y357 HydrophobicContact CD2-CE1 4.46Å; L355-Y357 WeakPolarHBondContact O-CD1 3.39Å; L355-Y357 WeakPolarHBondContact O-CE1 3.39Å |
| 358 | E | 85.5 | Confident | 87.5 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | trans | -110 | 169.3 | 176.9 | -63.4 | -173.2 | 162.2 | 0 | 0 | 111.2 | N352 L355 | N352-E358 HydrophobicContact CB-CB 3.9Å; N352-E358 VanDerWaalsContact CB-O 3.26Å; N352-E358 WeakPolarHBondContact CB-O 3.39Å; N352-E358 PolarHBondContact N-O 3.07Å; L355-E358 HydrophobicContact CD1-CG 4.33Å; L355-E358 WeakPolarHBondContact CD1-OE2 3.46Å | ||
| 359 | V | 89.9 | Confident | 87.9 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 35% | 0.345 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.2 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | S227 I229 I230 I349 I350 | S227-V359 WeakPolarHBondContact OG-CG1 3.48Å; I229-V359 HydrophobicContact CD1-CG1 4.02Å; I230-V359 HydrophobicContact CD1-CB 4.45Å; I230-V359 HydrophobicContact CD1-CG2 4.17Å; I349-V359 HydrophobicContact CG2-CB 3.66Å; I349-V359 HydrophobicContact CG2-CG2 3.92Å; I350-V359 CarbonylContact O-C 3.48Å; I350-V359 VanDerWaalsContact O-CA 3.23Å; I350-V359 WeakPolarHBondContact O-CA 3.42Å; I350-V359 WeakPolarHBondContact O-CB 3Å |
| 360 | L | 90.2 | Very high | 88.1 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133 | -174.8 | -60.8 | 169.9 | 0 | 0 | 0 | 110.5 | I349 I350 N352 | I349-L360 CarbonylContact C-O 3.16Å; I349-L360 WeakPolarHBondContact CA-O 3.31Å; I350-L360 HydrophobicContact CG1-CB 4.16Å; I350-L360 VanDerWaalsContact CG1-O 3.3Å; I350-L360 WeakPolarHBondContact CG1-O 3.41Å; I350-L360 PolarHBondContact N-O 3.48Å; I350-L360 PolarHBondContact O-N 3.29Å; N352-L360 HydrophobicContact CB-CD1 3.83Å; N352-L360 HydrophobicContact CB-CG 3.97Å |
| 361 | P | 89.9 | Confident | 88.4 | Confident | 82 Ų | 82 | 59.9 Ų | 59.9 | 53% | 0.532 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 143.1 | 172.8 | 31.2 | -33.5 | 0 | 0 | 0 | 111.1 | I349 N363 | I349-P361 HydrophobicContact CG1-CB 4.38Å; P361-N363 PolarHBondContact O-N 2.95Å |
| 362 | I | 86.3 | Confident | 88.6 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | trans | -73.9 | 112.1 | 168.3 | -62 | -63.2 | 0 | 0 | 0 | 109.1 | V129 I343 T348 I350 | V129-I362 HydrophobicContact CB-CD1 4.24Å; V129-I362 HydrophobicContact CG2-CD1 4.19Å; V129-I362 WeakPolarHBondContact O-CD1 3.49Å; I343-I362 HydrophobicContact CD1-CG1 4.32Å; I343-I362 HydrophobicContact CG1-CG1 4.32Å; I343-I362 HydrophobicContact CG2-CG2 4.28Å; T348-I362 PolarHBondContact O-N 3.3Å; I350-I362 HydrophobicContact CD1-CD1 3.82Å; I350-I362 HydrophobicContact CG1-CD1 4.05Å; I350-I362 HydrophobicContact CG2-CD1 3.8Å; I350-I362 HydrophobicContact CG2-CG1 3.93Å | ||
| 363 | N | 82.8 | Confident | 88.9 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | trans | -118 | 22.2 | -179.7 | -166.3 | 35.2 | 0 | 0 | 0 | 113.7 | R257 P361 | R257-N363 PolarHBondContact NH1-OD1 2.6Å; P361-N363 PolarHBondContact O-N 2.95Å | ||
| 364 | T | 85.3 | Confident | 89.2 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | trans | -78.8 | 146.9 | 177.3 | 56 | 0 | 0 | 0 | 0 | 111.4 | Y131 Y366 | Y131-T364 HydrophobicContact CD2-CG2 3.96Å; Y131-T364 HydrophobicContact CG-CG2 3.84Å; T364-Y366 VanDerWaalsContact CB-CE2 3.48Å; T364-Y366 HydrophobicContact CG2-CE2 4.1Å; T364-Y366 WeakPolarHBondContact CG2-OH 3.49Å | ||
| 365 | Q | 88.6 | Confident | 89.7 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | trans | -142.6 | 111.5 | 175 | -179.2 | 176.1 | -11.9 | 0 | 0 | 108.7 | R257 | R257-Q365 HydrophobicContact CG-CG 4.46Š| ||
| 366 | Y | 91.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | trans | -118.3 | 136.3 | 179.6 | -50.5 | -71.4 | 0 | 0 | 0 | 109.7 | R340 L341 T364 G368 D371 C372 T375 | R340-Y366 HydrophobicContact CB-CE2 3.87Å; R340-Y366 PolarHBondContact NH1-OH 2.98Å; L341-Y366 HydrophobicContact CD2-CD2 4.32Å; L341-Y366 HydrophobicContact CD2-CG 4.5Å; T364-Y366 VanDerWaalsContact CB-CE2 3.48Å; T364-Y366 HydrophobicContact CG2-CE2 4.1Å; T364-Y366 WeakPolarHBondContact CG2-OH 3.49Å; Y366-G368 PolarHBondContact O-N 3.17Å; Y366-D371 WeakPolarHBondContact CA-OD2 3.29Å; Y366-C372 HydrophobicContact CD1-CB 3.68Å; Y366-C372 HydrophobicContact CD2-CB 4.13Å; Y366-C372 HydrophobicContact CE1-CB 4.11Å; Y366-C372 HydrophobicContact CG-CB 3.66Å; Y366-T375 HydrophobicContact CE1-CG2 3.98Å | ||
| 367 | E | 89.9 | Confident | 91.3 | Very high | 177 Ų | 177 | 69.2 Ų | 69.2 | 83% | 0.827 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -70.5 | -23.1 | 174.9 | -63.8 | -171.1 | 164 | 0 | 0 | 112.4 | D371 | E367-D371 HydrophobicContact CB-CB 4.16Å; E367-D371 PolarHBondContact N-OD2 2.86Å |
| 368 | G | 91.5 | Very high | 92.1 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 174 | -170.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y366 R370 D371 C372 | Y366-G368 PolarHBondContact O-N 3.17Å; G368-R370 PolarHBondContact O-N 3.37Å; G368-D371 PolarHBondContact O-N 2.92Å; G368-C372 WeakPolarHBondContact O-CB 3.47Å; G368-C372 PolarHBondContact O-N 3.13Å |
| 369 | M | 94.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 71.6 Ų | 71.6 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | -177.3 | -174.8 | -159.6 | -76.2 | 0 | 0 | 112.9 | F266 P267 L270 L334 V337 L341 D371 C372 I373 | F266-M369 HydrophobicContact CD1-CE 3.91Å; F266-M369 HydrophobicContact CE1-CE 3.76Å; F266-M369 HydrophobicContact CE1-SD 4.16Å; P267-M369 HydrophobicContact CB-CE 3.35Å; P267-M369 HydrophobicContact CG-CE 4.32Å; L270-M369 HydrophobicContact CD2-CE 3.9Å; L270-M369 HydrophobicContact CD2-SD 4.4Å; L334-M369 HydrophobicContact CD1-CE 4.02Å; L334-M369 HydrophobicContact CD1-SD 4.25Å; V337-M369 HydrophobicContact CG1-CB 4.5Å; V337-M369 HydrophobicContact CG1-CG 3.65Å; L341-M369 HydrophobicContact CD1-CB 3.95Å; L341-M369 HydrophobicContact CD1-CG 4.34Å; M369-D371 VanDerWaalsContact C-N 3.34Å; M369-D371 PolarHBondContact O-N 2.87Å; M369-C372 PolarHBondContact O-N 3.14Å; M369-I373 HydrophobicContact CG-CD1 3.89Å; M369-I373 VanDerWaalsContact O-CG1 3.29Å; M369-I373 WeakPolarHBondContact O-CG1 3.46Å; M369-I373 PolarHBondContact O-N 3.03Å; M369-I373 HydrophobicContact SD-CD1 4.25Å |
| 370 | R | 95.9 | Very high | 92.7 | Very high | 201 Ų | 201 | 69.7 Ų | 69.7 | 76% | 0.758 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | -178.8 | -175.4 | 179.1 | -179.1 | -178.5 | -1.4 | 111.9 | G368 I373 N374 | G368-R370 PolarHBondContact O-N 3.37Å; R370-I373 PolarHBondContact O-N 2.93Å; R370-N374 VanDerWaalsContact O-CG 3.29Å; R370-N374 PolarHBondContact O-N 3.23Å; R370-N374 PolarHBondContact O-ND2 2.82Å |
| 371 | D | 96.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 176.3 | -175 | 43.1 | 0 | 0 | 0 | 110.2 | Y366 E367 G368 M369 I373 N374 T375 | Y366-D371 WeakPolarHBondContact CA-OD2 3.29Å; E367-D371 HydrophobicContact CB-CB 4.16Å; E367-D371 PolarHBondContact N-OD2 2.86Å; G368-D371 PolarHBondContact O-N 2.92Å; M369-D371 VanDerWaalsContact C-N 3.34Å; M369-D371 PolarHBondContact O-N 2.87Å; D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 3.43Å; D371-N374 WeakPolarHBondContact O-CA 3.28Å; D371-N374 WeakPolarHBondContact O-CB 3.47Å; D371-N374 PolarHBondContact O-N 3.34Å; D371-T375 PolarHBondContact O-N 3.39Å; D371-T375 PolarHBondContact O-OG1 2.93Å |
| 372 | C | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.9 | -44.6 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 113.4 | V337 L341 Y366 G368 M369 N374 T375 I376 | V337-C372 HydrophobicContact CG1-CB 4.1Å; L341-C372 HydrophobicContact CD2-CB 4Å; L341-C372 HydrophobicContact CG-CB 4.48Å; Y366-C372 HydrophobicContact CD1-CB 3.68Å; Y366-C372 HydrophobicContact CD2-CB 4.13Å; Y366-C372 HydrophobicContact CE1-CB 4.11Å; Y366-C372 HydrophobicContact CG-CB 3.66Å; G368-C372 WeakPolarHBondContact O-CB 3.47Å; G368-C372 PolarHBondContact O-N 3.13Å; M369-C372 PolarHBondContact O-N 3.14Å; C372-N374 PolarHBondContact O-N 3.48Å; C372-T375 PolarHBondContact O-N 3.16Å; C372-I376 WeakPolarHBondContact O-CD1 3.49Å; C372-I376 VanDerWaalsContact O-CG1 3.26Å; C372-I376 WeakPolarHBondContact O-CG1 3.5Å; C372-I376 PolarHBondContact O-N 3.21Å |
| 373 | I | 97.5 | Very high | 93.6 | Very high | 62 Ų | 62 | 75.4 Ų | 75.4 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.4 | -69.9 | 163.8 | 0 | 0 | 0 | 111.1 | V337 M369 R370 D371 R377 F385 | V337-I373 HydrophobicContact CG1-CG1 4.24Å; V337-I373 HydrophobicContact CG2-CG1 3.71Å; M369-I373 HydrophobicContact CG-CD1 3.89Å; M369-I373 VanDerWaalsContact O-CG1 3.29Å; M369-I373 WeakPolarHBondContact O-CG1 3.46Å; M369-I373 PolarHBondContact O-N 3.03Å; M369-I373 HydrophobicContact SD-CD1 4.25Å; R370-I373 PolarHBondContact O-N 2.93Å; D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 3.43Å; I373-R377 WeakPolarHBondContact O-CB 3.38Å; I373-R377 PolarHBondContact O-N 3.08Å; I373-F385 HydrophobicContact CG1-CE1 4.44Å; I373-F385 HydrophobicContact CG2-CE1 4.41Å; I373-F385 HydrophobicContact CG2-CZ 4.04Å; I373-F385 WeakPolarHBondContact O-CZ 3.29Å |
| 374 | N | 97.2 | Very high | 94.1 | Very high | 64 Ų | 64 | 70.7 Ų | 70.7 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | -180 | -71.8 | -24.5 | 0 | 0 | 0 | 111.5 | R370 D371 C372 R377 Q378 | R370-N374 VanDerWaalsContact O-CG 3.29Å; R370-N374 PolarHBondContact O-N 3.23Å; R370-N374 PolarHBondContact O-ND2 2.82Å; D371-N374 WeakPolarHBondContact O-CA 3.28Å; D371-N374 WeakPolarHBondContact O-CB 3.47Å; D371-N374 PolarHBondContact O-N 3.34Å; C372-N374 PolarHBondContact O-N 3.48Å; N374-R377 PolarHBondContact O-N 2.87Å; N374-Q378 WeakPolarHBondContact O-CB 3.41Å; N374-Q378 VanDerWaalsContact O-CG 3.27Å; N374-Q378 WeakPolarHBondContact O-CG 3.46Å; N374-Q378 PolarHBondContact O-N 3.07Å |
| 375 | T | 96.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 71.1 Ų | 71.1 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 178.1 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | Y366 D371 C372 R377 Q378 E379 | Y366-T375 HydrophobicContact CE1-CG2 3.98Å; D371-T375 PolarHBondContact O-N 3.39Å; D371-T375 PolarHBondContact O-OG1 2.93Å; C372-T375 PolarHBondContact O-N 3.16Å; T375-R377 VanDerWaalsContact C-N 3.3Å; T375-R377 PolarHBondContact O-N 2.73Å; T375-Q378 PolarHBondContact O-N 3.4Å; T375-E379 HydrophobicContact CG2-CG 4.21Å; T375-E379 WeakPolarHBondContact CG2-OE2 3.48Å; T375-E379 WeakPolarHBondContact O-CB 3.45Å; T375-E379 PolarHBondContact O-N 3.29Å |
| 376 | I | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -57.7 | -47 | 177.2 | -66.1 | 163.3 | 0 | 0 | 0 | 110 | V337 C372 Q378 E380 G381 F385 | V337-I376 HydrophobicContact CG2-CD1 3.89Å; C372-I376 WeakPolarHBondContact O-CD1 3.49Å; C372-I376 VanDerWaalsContact O-CG1 3.26Å; C372-I376 WeakPolarHBondContact O-CG1 3.5Å; C372-I376 PolarHBondContact O-N 3.21Å; I376-Q378 VanDerWaalsContact C-N 3.35Å; I376-Q378 PolarHBondContact O-N 3.46Å; I376-E380 HydrophobicContact CG2-CB 4.44Å; I376-E380 CarbonylContact O-C 3.54Å; I376-E380 WeakPolarHBondContact O-CA 3.2Å; I376-E380 WeakPolarHBondContact O-CB 3.14Å; I376-E380 PolarHBondContact O-N 2.91Å; I376-G381 PolarHBondContact O-N 3.42Å; I376-F385 HydrophobicContact CB-CD1 4.48Å; I376-F385 HydrophobicContact CB-CE1 3.93Å; I376-F385 HydrophobicContact CB-CE2 4.15Å; I376-F385 HydrophobicContact CB-CZ 3.74Å; I376-F385 HydrophobicContact CD1-CD1 4.14Å; I376-F385 HydrophobicContact CD1-CE1 3.82Å; I376-F385 HydrophobicContact CD1-CZ 4.5Å; I376-F385 HydrophobicContact CG2-CD1 3.89Å; I376-F385 HydrophobicContact CG2-CD2 3.71Å; I376-F385 HydrophobicContact CG2-CE1 3.79Å; I376-F385 HydrophobicContact CG2-CE2 3.6Å; I376-F385 HydrophobicContact CG2-CG 3.85Å; I376-F385 HydrophobicContact CG2-CZ 3.64Å |
| 377 | R | 96.8 | Very high | 95.3 | Very high | 173 Ų | 173 | 68.7 Ų | 68.7 | 65% | 0.653 | 32% | 0.324 | S | S | * | . | I | π-helix | trans | -63.6 | -38.5 | -178.8 | -175.7 | 179.1 | 178.4 | -174.7 | 0.6 | 112.9 | I373 N374 T375 G381 F385 | I373-R377 WeakPolarHBondContact O-CB 3.38Å; I373-R377 PolarHBondContact O-N 3.08Å; N374-R377 PolarHBondContact O-N 2.87Å; T375-R377 VanDerWaalsContact C-N 3.3Å; T375-R377 PolarHBondContact O-N 2.73Å; R377-G381 WeakPolarHBondContact O-CA 3.45Å; R377-G381 PolarHBondContact O-N 3.23Å; R377-F385 HydrophobicContact CB-CE2 4.19Å; R377-F385 HydrophobicContact CB-CZ 4.42Å |
| 378 | Q | 96.3 | Very high | 95.6 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | I | π-helix | trans | -82 | -40.2 | -175.6 | -71.7 | 177.6 | 8.7 | 0 | 0 | 112.6 | N374 T375 I376 | N374-Q378 WeakPolarHBondContact O-CB 3.41Å; N374-Q378 VanDerWaalsContact O-CG 3.27Å; N374-Q378 WeakPolarHBondContact O-CG 3.46Å; N374-Q378 PolarHBondContact O-N 3.07Å; T375-Q378 PolarHBondContact O-N 3.4Å; I376-Q378 VanDerWaalsContact C-N 3.35Å; I376-Q378 PolarHBondContact O-N 3.46Å |
| 379 | E | 94.4 | Very high | 95.9 | Very high | 115 Ų | 115 | 61.7 Ų | 61.7 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -97.1 | -33 | -172 | -60.3 | -177 | 174.6 | 0 | 0 | 113.1 | Y131 T375 | Y131-E379 WeakPolarHBondContact CE2-OE2 3.41Å; Y131-E379 VanDerWaalsContact CZ-OE2 3.25Å; Y131-E379 PolarHBondContact OH-OE2 2.96Å; T375-E379 HydrophobicContact CG2-CG 4.21Å; T375-E379 WeakPolarHBondContact CG2-OE2 3.48Å; T375-E379 WeakPolarHBondContact O-CB 3.45Å; T375-E379 PolarHBondContact O-N 3.29Å |
| 380 | E | 94.1 | Very high | 96 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -112.5 | -11 | -176.9 | -55.8 | 177.3 | -147.7 | 0 | 0 | 112.9 | Y131 Y136 R340 I376 K387 | Y131-E380 VanDerWaalsContact CD2-OE1 3.27Å; Y131-E380 WeakPolarHBondContact CD2-OE1 3.26Å; Y136-E380 PolarHBondContact OH-O 2.92Å; R340-E380 IonicContact CZ-OE1 2.6Å; R340-E380 VanDerWaalsContact CZ-OE1 3.26Å; R340-E380 IonicContact CZ-OE2 3.29Å; R340-E380 IonicContact NH1-OE1 3.96Å; R340-E380 PolarHBondContact NH1-OE1 3.33Å; R340-E380 IonicContact NH1-OE2 3.13Å; R340-E380 VanDerWaalsContact NH2-CD 3.33Å; R340-E380 IonicContact NH2-OE1 3.95Å; R340-E380 PolarHBondContact NH2-OE1 3.26Å; R340-E380 IonicContact NH2-OE2 3.19Å; R340-E380 PolarHBondContact NH2-OE2 3.32Å; I376-E380 HydrophobicContact CG2-CB 4.44Å; I376-E380 CarbonylContact O-C 3.54Å; I376-E380 WeakPolarHBondContact O-CA 3.2Å; I376-E380 WeakPolarHBondContact O-CB 3.14Å; I376-E380 PolarHBondContact O-N 2.91Å; E380-K387 VanDerWaalsContact CD-NZ 3.33Å; E380-K387 IonicContact OE1-NZ 3.24Å; E380-K387 WeakPolarHBondContact OE2-CE 3.27Å; E380-K387 IonicContact OE2-NZ 3.08Å; E380-K387 PolarHBondContact OE2-NZ 2.86Å |
| 381 | G | 94.4 | Very high | 96 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | trans | 70.4 | -176.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I376 R377 F383 G384 | I376-G381 PolarHBondContact O-N 3.42Å; R377-G381 WeakPolarHBondContact O-CA 3.45Å; R377-G381 PolarHBondContact O-N 3.23Å; G381-F383 VanDerWaalsContact C-N 3.26Å; G381-F383 PolarHBondContact O-N 2.86Å; G381-G384 PolarHBondContact O-N 3.47Å | ||
| 382 | V | 94.1 | Very high | 96 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 58% | 0.582 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -63.8 | -31.6 | -173.5 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | G384 F385 | V382-G384 VanDerWaalsContact C-N 3.26Å; V382-G384 PolarHBondContact O-N 3.25Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.44Å |
| 383 | F | 95.1 | Very high | 96 | Very high | 134 Ų | 134 | 51.4 Ų | 51.4 | 59% | 0.588 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -75 | -15.1 | 177.9 | -62.8 | -67.8 | 0 | 0 | 0 | 113.4 | Y136 L138 G381 F385 Y386 | Y136-F383 HydrophobicContact CD2-CB 3.59Å; Y136-F383 HydrophobicContact CE2-CB 3.82Å; L138-F383 HydrophobicContact CD1-CB 4.36Å; L138-F383 HydrophobicContact CD1-CD1 3.95Å; L138-F383 HydrophobicContact CD1-CG 4.31Å; G381-F383 VanDerWaalsContact C-N 3.26Å; G381-F383 PolarHBondContact O-N 2.86Å; F383-F385 PolarHBondContact O-N 3.29Å; F383-Y386 PolarHBondContact O-N 3.5Å |
| 384 | G | 95.1 | Very high | 96 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -58.7 | -30.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G381 V382 Y386 K387 | G381-G384 PolarHBondContact O-N 3.47Å; V382-G384 VanDerWaalsContact C-N 3.26Å; V382-G384 PolarHBondContact O-N 3.25Å; G384-Y386 PolarHBondContact O-N 3.46Å; G384-K387 WeakPolarHBondContact O-CG 3.01Å |
| 385 | F | 96.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -67.5 | -22.6 | 174.1 | -68.1 | -78 | 0 | 0 | 0 | 113.7 | Y332 P333 T336 V337 I373 I376 R377 V382 F383 | Y332-F385 WeakPolarHBondContact CD1-O 3.34Å; Y332-F385 WeakPolarHBondContact CE1-O 3.48Å; P333-F385 HydrophobicContact CB-CB 3.92Å; P333-F385 HydrophobicContact CB-CD1 4.04Å; P333-F385 HydrophobicContact CB-CG 4.19Å; P333-F385 HydrophobicContact CG-CB 4.4Å; T336-F385 WeakPolarHBondContact CB-O 3.3Å; T336-F385 PolarHBondContact OG1-O 3.21Å; V337-F385 HydrophobicContact CG2-CD1 4.17Å; V337-F385 HydrophobicContact CG2-CE1 3.84Å; I373-F385 HydrophobicContact CG1-CE1 4.44Å; I373-F385 HydrophobicContact CG2-CE1 4.41Å; I373-F385 HydrophobicContact CG2-CZ 4.04Å; I373-F385 WeakPolarHBondContact O-CZ 3.29Å; I376-F385 HydrophobicContact CB-CD1 4.48Å; I376-F385 HydrophobicContact CB-CE1 3.93Å; I376-F385 HydrophobicContact CB-CE2 4.15Å; I376-F385 HydrophobicContact CB-CZ 3.74Å; I376-F385 HydrophobicContact CD1-CD1 4.14Å; I376-F385 HydrophobicContact CD1-CE1 3.82Å; I376-F385 HydrophobicContact CD1-CZ 4.5Å; I376-F385 HydrophobicContact CG2-CD1 3.89Å; I376-F385 HydrophobicContact CG2-CD2 3.71Å; I376-F385 HydrophobicContact CG2-CE1 3.79Å; I376-F385 HydrophobicContact CG2-CE2 3.6Å; I376-F385 HydrophobicContact CG2-CG 3.85Å; I376-F385 HydrophobicContact CG2-CZ 3.64Å; R377-F385 HydrophobicContact CB-CE2 4.19Å; R377-F385 HydrophobicContact CB-CZ 4.42Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.44Å; F383-F385 PolarHBondContact O-N 3.29Å |
| 386 | Y | 96.8 | Very high | 95.8 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -107.5 | 15.9 | -173.7 | -66.4 | -85.8 | 0 | 0 | 0 | 113.1 | L138 Y332 P333 F383 G384 G388 F389 | L138-Y386 WeakPolarHBondContact CD2-O 3.43Å; Y332-Y386 AromaticContact CD1-CD1 3.9Å; Y332-Y386 HydrophobicContact CD1-CD1 3.9Å; Y332-Y386 HydrophobicContact CD1-CG 4.44Å; Y332-Y386 HydrophobicContact CG-CD1 4.22Å; P333-Y386 HydrophobicContact CG-CE1 4.02Å; P333-Y386 HydrophobicContact CG-CE2 4.05Å; P333-Y386 WeakPolarHBondContact CG-OH 3.3Å; F383-Y386 PolarHBondContact O-N 3.5Å; G384-Y386 PolarHBondContact O-N 3.46Å; Y386-G388 PolarHBondContact O-N 3.27Å; Y386-G388 VanDerWaalsContact O-N 3.16Å; Y386-F389 HydrophobicContact CD1-CD2 4.01Å; Y386-F389 HydrophobicContact CD1-CE2 4.42Å; Y386-F389 VanDerWaalsContact O-CB 3.27Å; Y386-F389 WeakPolarHBondContact O-CB 3.26Å; Y386-F389 PolarHBondContact O-N 3.19Å |
| 387 | K | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 120 | 177.5 | -78.2 | 176.9 | 168.6 | -177.1 | 0 | 111.4 | C127 Q128 N130 Y131 A133 Y136 Y332 E380 G384 | C127-K387 HydrophobicContact CB-CB 4.36Å; C127-K387 WeakPolarHBondContact O-CB 3.39Å; Q128-K387 VanDerWaalsContact CG-O 3.29Å; Q128-K387 WeakPolarHBondContact CG-O 3.49Å; N130-K387 PolarHBondContact O-NZ 3.48Å; Y131-K387 PolarHBondContact O-NZ 2.81Å; Y131-K387 VanDerWaalsContact O-NZ 3.14Å; A133-K387 HydrophobicContact CB-CD 4.44Å; Y136-K387 HydrophobicContact CD1-CD 4.18Å; Y136-K387 HydrophobicContact CD1-CG 3.79Å; Y136-K387 HydrophobicContact CE1-CD 4.47Å; Y136-K387 HydrophobicContact CE1-CG 4.45Å; Y136-K387 HydrophobicContact CG-CG 3.83Å; Y136-K387 CarbonylContact O-C 3.56Å; Y136-K387 WeakPolarHBondContact O-CA 3.43Å; Y332-K387 PolarHBondContact OH-O 2.77Å; E380-K387 VanDerWaalsContact CD-NZ 3.33Å; E380-K387 IonicContact OE1-NZ 3.24Å; E380-K387 WeakPolarHBondContact OE2-CE 3.27Å; E380-K387 IonicContact OE2-NZ 3.08Å; E380-K387 PolarHBondContact OE2-NZ 2.86Å; G384-K387 WeakPolarHBondContact O-CG 3.01Å |
| 388 | G | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 12 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C127 Y136 Y332 Y386 G390 A391 | C127-G388 VanDerWaalsContact CB-CA 3.44Å; Y136-G388 PolarHBondContact O-N 3.27Å; Y332-G388 PolarHBondContact OH-O 3.19Å; Y386-G388 PolarHBondContact O-N 3.27Å; Y386-G388 VanDerWaalsContact O-N 3.16Å; G388-G390 PolarHBondContact O-N 3.37Å; G388-A391 VanDerWaalsContact O-CB 3.31Å; G388-A391 WeakPolarHBondContact O-CB 3.22Å; G388-A391 PolarHBondContact O-N 3.5Å |
| 389 | F | 97.1 | Very high | 95.2 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 20% | 0.197 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -28.6 | 179.3 | -167.4 | -96.9 | 0 | 0 | 0 | 113 | L138 V329 Y332 Y386 A391 V392 I393 | L138-F389 HydrophobicContact CD2-CB 4.41Å; V329-F389 HydrophobicContact CG1-CE2 4.41Å; V329-F389 HydrophobicContact CG1-CZ 4.31Å; V329-F389 HydrophobicContact CG2-CE2 4.09Å; V329-F389 HydrophobicContact CG2-CZ 3.95Å; Y332-F389 AromaticContact CD2-CD2 3.73Å; Y332-F389 HydrophobicContact CD2-CD2 3.73Å; Y332-F389 HydrophobicContact CD2-CE2 4.17Å; Y332-F389 AromaticContact CE2-CD2 3.85Å; Y332-F389 HydrophobicContact CE2-CD2 3.85Å; Y332-F389 HydrophobicContact CG-CD2 4.1Å; Y332-F389 PolarHBondContact OH-N 3.19Å; Y386-F389 HydrophobicContact CD1-CD2 4.01Å; Y386-F389 HydrophobicContact CD1-CE2 4.42Å; Y386-F389 VanDerWaalsContact O-CB 3.27Å; Y386-F389 WeakPolarHBondContact O-CB 3.26Å; Y386-F389 PolarHBondContact O-N 3.19Å; F389-A391 PolarHBondContact O-N 2.78Å; F389-A391 VanDerWaalsContact O-N 3.17Å; F389-V392 WeakPolarHBondContact O-CB 3.42Å; F389-V392 PolarHBondContact O-N 3.15Å; F389-I393 HydrophobicContact CD1-CD1 3.99Å; F389-I393 HydrophobicContact CD1-CG1 4.15Å; F389-I393 HydrophobicContact CE1-CD1 4.07Å; F389-I393 HydrophobicContact CE1-CG1 4.04Å; F389-I393 PolarHBondContact O-N 2.94Å |
| 390 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.5 | -30.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H137 L138 G388 I393 I394 | H137-G390 WeakPolarHBondContact O-CA 3.28Å; H137-G390 PolarHBondContact O-N 3.06Å; L138-G390 PolarHBondContact O-N 2.73Å; G388-G390 PolarHBondContact O-N 3.37Å; G390-I393 PolarHBondContact O-N 3.04Å; G390-I394 WeakPolarHBondContact O-CG1 3.38Å; G390-I394 PolarHBondContact O-N 3.35Å; G390-I394 VanDerWaalsContact O-N 3.14Å |
| 391 | A | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70 | -33.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C120 R124 V143 G388 F389 I394 Q395 | C120-A391 HydrophobicContact CB-CB 4.41Å; C120-A391 WeakPolarHBondContact CB-O 3.41Å; R124-A391 HydrophobicContact CB-CB 4Å; V143-A391 HydrophobicContact CG1-CB 4.04Å; V143-A391 HydrophobicContact CG2-CB 4.45Å; G388-A391 VanDerWaalsContact O-CB 3.31Å; G388-A391 WeakPolarHBondContact O-CB 3.22Å; G388-A391 PolarHBondContact O-N 3.5Å; F389-A391 PolarHBondContact O-N 2.78Å; F389-A391 VanDerWaalsContact O-N 3.17Å; A391-I394 PolarHBondContact O-N 3.2Å; A391-Q395 VanDerWaalsContact O-CB 3.29Å; A391-Q395 WeakPolarHBondContact O-CB 3.41Å; A391-Q395 PolarHBondContact O-N 3.47Å |
| 392 | V | 95.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | R124 Y332 F389 I394 Q395 Y396 | R124-V392 HydrophobicContact CG-CG2 4.37Å; Y332-V392 HydrophobicContact CD2-CG2 4.11Å; Y332-V392 HydrophobicContact CE2-CG2 3.57Å; F389-V392 WeakPolarHBondContact O-CB 3.42Å; F389-V392 PolarHBondContact O-N 3.15Å; V392-I394 VanDerWaalsContact C-N 3.33Å; V392-I394 PolarHBondContact O-N 3.3Å; V392-Q395 PolarHBondContact O-N 3.35Å; V392-Y396 HydrophobicContact CG1-CD2 3.64Å; V392-Y396 HydrophobicContact CG1-CE2 3.87Å; V392-Y396 WeakPolarHBondContact O-CD2 3.3Å; V392-Y396 PolarHBondContact O-N 3.27Å |
| 393 | I | 97 | Very high | 94.5 | Very high | 64 Ų | 64 | 33.1 Ų | 33.1 | 33% | 0.328 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 176.1 | -61.2 | 172.4 | 0 | 0 | 0 | 110 | P140 F389 G390 T397 | P140-I393 HydrophobicContact CB-CG2 4.35Å; P140-I393 HydrophobicContact CG-CG2 4.2Å; F389-I393 HydrophobicContact CD1-CD1 3.99Å; F389-I393 HydrophobicContact CD1-CG1 4.15Å; F389-I393 HydrophobicContact CE1-CD1 4.07Å; F389-I393 HydrophobicContact CE1-CG1 4.04Å; F389-I393 PolarHBondContact O-N 2.94Å; G390-I393 PolarHBondContact O-N 3.04Å; I393-T397 WeakPolarHBondContact O-CB 3.23Å; I393-T397 PolarHBondContact O-N 2.82Å; I393-T397 PolarHBondContact O-OG1 2.83Å |
| 394 | I | 96.3 | Very high | 94.2 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 16% | 0.159 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 177.4 | -61.7 | 168.1 | 0 | 0 | 0 | 110.8 | P140 V143 I144 M147 G390 A391 V392 Y396 T397 L398 | P140-I394 HydrophobicContact CB-CD1 4.04Å; P140-I394 HydrophobicContact CB-CG1 3.56Å; V143-I394 HydrophobicContact CB-CD1 3.9Å; V143-I394 HydrophobicContact CG1-CD1 3.87Å; I144-I394 HydrophobicContact CD1-CD1 4.34Å; I144-I394 HydrophobicContact CG1-CD1 3.74Å; M147-I394 HydrophobicContact SD-CD1 4.5Å; G390-I394 WeakPolarHBondContact O-CG1 3.38Å; G390-I394 PolarHBondContact O-N 3.35Å; G390-I394 VanDerWaalsContact O-N 3.14Å; A391-I394 PolarHBondContact O-N 3.2Å; V392-I394 VanDerWaalsContact C-N 3.33Å; V392-I394 PolarHBondContact O-N 3.3Å; I394-Y396 PolarHBondContact O-N 3.34Å; I394-T397 PolarHBondContact O-N 3.41Å; I394-L398 VanDerWaalsContact O-CB 3.28Å; I394-L398 WeakPolarHBondContact O-CB 3.5Å; I394-L398 PolarHBondContact O-N 2.68Å |
| 395 | Q | 95.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.6 | -54.1 | 179.4 | 169.9 | 175 | -11.7 | 0 | 0 | 111.8 | A117 C120 A391 V392 L398 H399 | A117-Q395 HydrophobicContact CB-CG 3.9Å; C120-Q395 HydrophobicContact CB-CB 3.73Å; A391-Q395 VanDerWaalsContact O-CB 3.29Å; A391-Q395 WeakPolarHBondContact O-CB 3.41Å; A391-Q395 PolarHBondContact O-N 3.47Å; V392-Q395 PolarHBondContact O-N 3.35Å; Q395-L398 WeakPolarHBondContact O-CB 3.44Å; Q395-L398 PolarHBondContact O-N 2.86Å; Q395-H399 PolarHBondContact O-N 3.08Å |
| 396 | Y | 94.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -77.2 | -26.9 | -176.6 | -78 | -83.1 | 0 | 0 | 0 | 113 | F321 S324 L325 D328 V392 I394 L398 H399 A400 | F321-Y396 HydrophobicContact CD2-CD1 4.23Å; F321-Y396 AromaticContact CE2-CD1 3.73Å; F321-Y396 HydrophobicContact CE2-CD1 3.73Å; F321-Y396 WeakPolarHBondContact CE2-O 3.2Å; F321-Y396 HydrophobicContact CZ-CD1 4.18Å; S324-Y396 PolarHBondContact O-OH 3.48Å; S324-Y396 PolarHBondContact OG-OH 3.43Å; L325-Y396 VanDerWaalsContact CA-CE1 3.49Å; L325-Y396 HydrophobicContact CB-CD1 3.75Å; L325-Y396 HydrophobicContact CB-CE1 3.7Å; L325-Y396 HydrophobicContact CB-CG 4.29Å; L325-Y396 HydrophobicContact CD1-CD1 3.99Å; L325-Y396 HydrophobicContact CD1-CD2 3.72Å; L325-Y396 HydrophobicContact CD1-CE1 4.42Å; L325-Y396 HydrophobicContact CD1-CE2 4.18Å; L325-Y396 HydrophobicContact CD1-CG 3.62Å; L325-Y396 HydrophobicContact CG-CD1 4.36Å; L325-Y396 HydrophobicContact CG-CG 4.45Å; L325-Y396 PolarHBondContact N-OH 3.37Å; D328-Y396 HydrophobicContact CB-CE2 4.32Å; D328-Y396 VanDerWaalsContact CG-OH 3.27Å; D328-Y396 WeakPolarHBondContact OD2-CE2 3.37Å; D328-Y396 PolarHBondContact OD2-OH 3.44Å; V392-Y396 HydrophobicContact CG1-CD2 3.64Å; V392-Y396 HydrophobicContact CG1-CE2 3.87Å; V392-Y396 WeakPolarHBondContact O-CD2 3.3Å; V392-Y396 PolarHBondContact O-N 3.27Å; I394-Y396 PolarHBondContact O-N 3.34Å; Y396-L398 VanDerWaalsContact C-N 3.34Å; Y396-H399 PolarHBondContact O-N 2.89Å; Y396-A400 VanDerWaalsContact O-CB 3.3Å; Y396-A400 WeakPolarHBondContact O-CB 3.14Å; Y396-A400 PolarHBondContact O-N 3.27Å |
| 397 | T | 95 | Very high | 92.7 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 53% | 0.534 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 169.6 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | I393 I394 A400 A401 | I393-T397 WeakPolarHBondContact O-CB 3.23Å; I393-T397 PolarHBondContact O-N 2.82Å; I393-T397 PolarHBondContact O-OG1 2.83Å; I394-T397 PolarHBondContact O-N 3.41Å; T397-A400 PolarHBondContact O-N 3.21Å; T397-A401 WeakPolarHBondContact O-CB 3.47Å; T397-A401 PolarHBondContact O-N 2.6Å |
| 398 | L | 92.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 176.7 | -175.5 | 61.9 | 0 | 0 | 0 | 111.2 | L116 I394 Q395 Y396 A400 A401 V402 | L116-L398 HydrophobicContact CB-CD2 4.41Å; L116-L398 HydrophobicContact CD2-CD1 3.74Å; L116-L398 HydrophobicContact CD2-CD2 3.63Å; L116-L398 HydrophobicContact CD2-CG 3.53Å; L116-L398 HydrophobicContact CG-CD1 4.43Å; L116-L398 HydrophobicContact CG-CD2 3.62Å; L116-L398 HydrophobicContact CG-CG 4.12Å; I394-L398 VanDerWaalsContact O-CB 3.28Å; I394-L398 WeakPolarHBondContact O-CB 3.5Å; I394-L398 PolarHBondContact O-N 2.68Å; Q395-L398 WeakPolarHBondContact O-CB 3.44Å; Q395-L398 PolarHBondContact O-N 2.86Å; Y396-L398 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 3.28Å; L398-A401 PolarHBondContact O-N 3.35Å; L398-V402 WeakPolarHBondContact O-CG2 3.26Å; L398-V402 PolarHBondContact O-N 2.89Å |
| 399 | H | 90.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.2 | -168.7 | -159.8 | 0 | 0 | 0 | 112.1 | T112 E113 F321 Q395 Y396 A401 V402 L403 | T112-H399 HydrophobicContact CG2-CB 4.1Å; T112-H399 VanDerWaalsContact CG2-CD2 3.5Å; T112-H399 WeakPolarHBondContact CG2-CD2 3.4Å; E113-H399 IonicContact OE1-CE1 3Å; E113-H399 PolarHBondContact OE1-CE1 2.97Å; E113-H399 VanDerWaalsContact OE1-CE1 3.29Å; E113-H399 IonicContact OE1-NE2 2.76Å; F321-H399 HydrophobicContact CD2-CB 4.4Å; F321-H399 AromaticContact CD2-CG 4Å; F321-H399 AromaticContact CD2-ND1 3.45Å; F321-H399 WeakPolarHBondContact CD2-ND1 3.41Å; F321-H399 HydrophobicContact CE2-CB 4.15Å; Q395-H399 PolarHBondContact O-N 3.08Å; Y396-H399 PolarHBondContact O-N 2.89Å; H399-A401 PolarHBondContact O-N 2.56Å; H399-V402 PolarHBondContact O-N 2.77Å; H399-L403 WeakPolarHBondContact O-CB 3.34Å; H399-L403 PolarHBondContact O-N 2.79Å |
| 400 | A | 92 | Very high | 90.8 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F321 Y396 T397 L398 L403 Q404 | F321-A400 HydrophobicContact CE2-CB 4.04Å; F321-A400 HydrophobicContact CZ-CB 3.95Å; Y396-A400 VanDerWaalsContact O-CB 3.3Å; Y396-A400 WeakPolarHBondContact O-CB 3.14Å; Y396-A400 PolarHBondContact O-N 3.27Å; T397-A400 PolarHBondContact O-N 3.21Å; L398-A400 PolarHBondContact O-N 3.28Å; A400-L403 PolarHBondContact O-N 3.14Å; A400-Q404 VanDerWaalsContact O-CG 3.3Å; A400-Q404 WeakPolarHBondContact O-CG 3.47Å; A400-Q404 PolarHBondContact O-N 3.37Å |
| 401 | A | 93.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T397 L398 H399 L403 Q404 I405 | T397-A401 WeakPolarHBondContact O-CB 3.47Å; T397-A401 PolarHBondContact O-N 2.6Å; L398-A401 PolarHBondContact O-N 3.35Å; H399-A401 PolarHBondContact O-N 2.56Å; A401-L403 PolarHBondContact O-N 2.68Å; A401-Q404 PolarHBondContact O-N 2.93Å; A401-I405 WeakPolarHBondContact O-CB 3.4Å; A401-I405 VanDerWaalsContact O-CG1 3.24Å; A401-I405 WeakPolarHBondContact O-CG1 3.36Å; A401-I405 PolarHBondContact O-N 3.29Å |
| 402 | V | 89.8 | Confident | 89.2 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | T112 L116 L398 H399 Q404 I405 T406 | T112-V402 HydrophobicContact CG2-CB 4.1Å; T112-V402 HydrophobicContact CG2-CG2 3.99Å; T112-V402 WeakPolarHBondContact OG1-CG1 3.42Å; L116-V402 HydrophobicContact CD2-CG2 3.75Å; L398-V402 WeakPolarHBondContact O-CG2 3.26Å; L398-V402 PolarHBondContact O-N 2.89Å; H399-V402 PolarHBondContact O-N 2.77Å; V402-Q404 VanDerWaalsContact C-N 3.32Å; V402-Q404 PolarHBondContact O-N 3.48Å; V402-I405 PolarHBondContact O-N 3.17Å; V402-T406 WeakPolarHBondContact O-CB 3.4Å; V402-T406 PolarHBondContact O-N 3.22Å; V402-T406 PolarHBondContact O-OG1 3.29Å |
| 403 | L | 86.1 | Confident | 88.3 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 178.2 | -171.1 | 150.8 | 0 | 0 | 0 | 111.9 | F314 L317 I318 H399 A400 A401 K407 | F314-L403 HydrophobicContact CD1-CD2 4.35Å; F314-L403 HydrophobicContact CE1-CD2 4.43Å; L317-L403 HydrophobicContact CB-CD1 3.98Å; I318-L403 HydrophobicContact CG1-CD2 4.32Å; H399-L403 WeakPolarHBondContact O-CB 3.34Å; H399-L403 PolarHBondContact O-N 2.79Å; A400-L403 PolarHBondContact O-N 3.14Å; A401-L403 PolarHBondContact O-N 2.68Å; L403-K407 WeakPolarHBondContact O-CB 3.34Å; L403-K407 PolarHBondContact O-N 3.1Å |
| 404 | Q | 88.5 | Confident | 87 | Confident | 102 Ų | 102 | 51.8 Ų | 51.8 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.2 | -69.4 | -62.7 | -23 | 0 | 0 | 112.3 | A400 A401 V402 K407 I408 | A400-Q404 VanDerWaalsContact O-CG 3.3Å; A400-Q404 WeakPolarHBondContact O-CG 3.47Å; A400-Q404 PolarHBondContact O-N 3.37Å; A401-Q404 PolarHBondContact O-N 2.93Å; V402-Q404 VanDerWaalsContact C-N 3.32Å; V402-Q404 PolarHBondContact O-N 3.48Å; Q404-K407 WeakPolarHBondContact O-CB 3.24Å; Q404-K407 PolarHBondContact O-N 3.44Å; Q404-I408 VanDerWaalsContact O-CG1 3.31Å; Q404-I408 WeakPolarHBondContact O-CG1 3.47Å; Q404-I408 PolarHBondContact O-N 3.42Å |
| 405 | I | 89.4 | Confident | 85.8 | Confident | 95 Ų | 95 | 56.7 Ų | 56.7 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 176.8 | -70.5 | 166 | 0 | 0 | 0 | 110.1 | A401 V402 K407 I408 I409 | A401-I405 WeakPolarHBondContact O-CB 3.4Å; A401-I405 VanDerWaalsContact O-CG1 3.24Å; A401-I405 WeakPolarHBondContact O-CG1 3.36Å; A401-I405 PolarHBondContact O-N 3.29Å; V402-I405 PolarHBondContact O-N 3.17Å; I405-K407 VanDerWaalsContact C-N 3.29Å; I405-K407 PolarHBondContact O-N 3.31Å; I405-I408 PolarHBondContact O-N 2.79Å; I405-I409 HydrophobicContact CG2-CD1 3.53Å; I405-I409 HydrophobicContact CG2-CG1 4.16Å; I405-I409 WeakPolarHBondContact O-CB 3.1Å; I405-I409 VanDerWaalsContact O-CG1 3.3Å; I405-I409 WeakPolarHBondContact O-CG1 3.18Å; I405-I409 PolarHBondContact O-N 3.37Å |
| 406 | T | 84.8 | Confident | 84.5 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 175.5 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | I105 F314 V402 Y410 | I105-T406 HydrophobicContact CG1-CG2 3.83Å; I105-T406 HydrophobicContact CG2-CG2 4.44Å; F314-T406 HydrophobicContact CZ-CG2 4.49Å; V402-T406 WeakPolarHBondContact O-CB 3.4Å; V402-T406 PolarHBondContact O-N 3.22Å; V402-T406 PolarHBondContact O-OG1 3.29Å; T406-Y410 VanDerWaalsContact O-CB 3.26Å; T406-Y410 WeakPolarHBondContact O-CB 3.44Å; T406-Y410 PolarHBondContact O-N 3.4Å |
| 407 | K | 83.4 | Confident | 82.8 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 174.1 | -167.3 | -179.8 | 175.9 | -178.7 | 0 | 112.1 | L310 F314 L403 Q404 I405 S411 | L310-K407 HydrophobicContact CD2-CG 4.41Å; F314-K407 HydrophobicContact CD1-CB 4.22Å; F314-K407 HydrophobicContact CD1-CD 4.3Å; F314-K407 HydrophobicContact CD1-CG 4.13Å; F314-K407 HydrophobicContact CE1-CB 3.41Å; F314-K407 VanDerWaalsContact CE1-CB 3.41Å; F314-K407 HydrophobicContact CE1-CD 4.31Å; F314-K407 HydrophobicContact CE1-CG 3.71Å; F314-K407 HydrophobicContact CZ-CB 3.71Å; F314-K407 HydrophobicContact CZ-CG 3.93Å; L403-K407 WeakPolarHBondContact O-CB 3.34Å; L403-K407 PolarHBondContact O-N 3.1Å; Q404-K407 WeakPolarHBondContact O-CB 3.24Å; Q404-K407 PolarHBondContact O-N 3.44Å; I405-K407 VanDerWaalsContact C-N 3.29Å; I405-K407 PolarHBondContact O-N 3.31Å; K407-S411 WeakPolarHBondContact O-CB 3.32Å; K407-S411 PolarHBondContact O-N 3.29Å; K407-S411 PolarHBondContact O-OG 3.31Å |
| 408 | I | 86.3 | Confident | 80.6 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -53.7 | -179 | -68.4 | 165.2 | 0 | 0 | 0 | 109.8 | Q404 I405 Y410 S411 T412 | Q404-I408 VanDerWaalsContact O-CG1 3.31Å; Q404-I408 WeakPolarHBondContact O-CG1 3.47Å; Q404-I408 PolarHBondContact O-N 3.42Å; I405-I408 PolarHBondContact O-N 2.79Å; I408-Y410 VanDerWaalsContact C-N 3.29Å; I408-Y410 PolarHBondContact O-N 2.89Å; I408-S411 WeakPolarHBondContact CA-OG 3.47Å; I408-S411 PolarHBondContact O-N 3.47Å; I408-S411 VanDerWaalsContact O-N 3.16Å; I408-S411 PolarHBondContact O-OG 3.43Å; I408-T412 PolarHBondContact O-N 3.38Å; I408-T412 PolarHBondContact O-OG1 3.3Å |
| 409 | I | 84.9 | Confident | 80 | Confident | 93 Ų | 93 | 71.9 Ų | 71.9 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.2 | -48.7 | -179.7 | -69.7 | 171.8 | 0 | 0 | 0 | 110.2 | I405 T412 L413 | I405-I409 HydrophobicContact CG2-CD1 3.53Å; I405-I409 HydrophobicContact CG2-CG1 4.16Å; I405-I409 WeakPolarHBondContact O-CB 3.1Å; I405-I409 VanDerWaalsContact O-CG1 3.3Å; I405-I409 WeakPolarHBondContact O-CG1 3.18Å; I405-I409 PolarHBondContact O-N 3.37Å; I409-T412 PolarHBondContact O-N 2.94Å; I409-L413 HydrophobicContact CG2-CD1 3.8Å; I409-L413 HydrophobicContact CG2-CG 4.27Å; I409-L413 WeakPolarHBondContact O-CB 3.33Å; I409-L413 VanDerWaalsContact O-CG 3.29Å; I409-L413 WeakPolarHBondContact O-CG 3.41Å; I409-L413 PolarHBondContact O-N 3.39Å |
| 410 | Y | 77.9 | Confident | 79.4 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 10% | 0.102 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | -178.6 | -169.1 | -121.1 | 0 | 0 | 0 | 111.6 | A101 I105 L310 F314 T406 I408 T412 L413 L414 | A101-Y410 HydrophobicContact CB-CD2 4.04Å; A101-Y410 HydrophobicContact CB-CE1 4.43Å; A101-Y410 HydrophobicContact CB-CE2 3.17Å; A101-Y410 VanDerWaalsContact CB-CZ 3.41Å; A101-Y410 WeakPolarHBondContact CB-OH 3.37Å; I105-Y410 HydrophobicContact CD1-CD1 4.47Å; L310-Y410 HydrophobicContact CB-CE1 4.29Å; L310-Y410 HydrophobicContact CD1-CD1 3.32Å; L310-Y410 HydrophobicContact CD1-CE1 3.77Å; L310-Y410 HydrophobicContact CD1-CG 4.38Å; L310-Y410 HydrophobicContact CG-CD1 3.73Å; L310-Y410 HydrophobicContact CG-CE1 3.98Å; F314-Y410 HydrophobicContact CE2-CD1 4.39Å; T406-Y410 VanDerWaalsContact O-CB 3.26Å; T406-Y410 WeakPolarHBondContact O-CB 3.44Å; T406-Y410 PolarHBondContact O-N 3.4Å; I408-Y410 VanDerWaalsContact C-N 3.29Å; I408-Y410 PolarHBondContact O-N 2.89Å; Y410-T412 VanDerWaalsContact C-N 3.31Å; Y410-T412 PolarHBondContact O-N 3.05Å; Y410-L413 PolarHBondContact O-N 2.97Å; Y410-L414 HydrophobicContact CD1-CD1 3.82Å; Y410-L414 HydrophobicContact CD2-CG 4.4Å; Y410-L414 HydrophobicContact CE1-CD1 3.46Å; Y410-L414 VanDerWaalsContact CE1-CD1 3.46Å; Y410-L414 HydrophobicContact CE1-CG 4.25Å; Y410-L414 HydrophobicContact CE2-CD1 4.19Å; Y410-L414 HydrophobicContact CE2-CD2 4.09Å; Y410-L414 HydrophobicContact CE2-CG 4.09Å; Y410-L414 HydrophobicContact CG-CD1 4.33Å; Y410-L414 WeakPolarHBondContact O-CB 3.41Å; Y410-L414 WeakPolarHBondContact O-CG 3.11Å; Y410-L414 PolarHBondContact O-N 2.83Å |
| 411 | S | 78.3 | Confident | 78.7 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 175.7 | 68 | 0 | 0 | 0 | 0 | 113 | K407 I408 L414 Q415 | K407-S411 WeakPolarHBondContact O-CB 3.32Å; K407-S411 PolarHBondContact O-N 3.29Å; K407-S411 PolarHBondContact O-OG 3.31Å; I408-S411 WeakPolarHBondContact CA-OG 3.47Å; I408-S411 PolarHBondContact O-N 3.47Å; I408-S411 VanDerWaalsContact O-N 3.16Å; I408-S411 PolarHBondContact O-OG 3.43Å; S411-L414 PolarHBondContact O-N 2.95Å; S411-Q415 WeakPolarHBondContact O-CG 3.34Å; S411-Q415 PolarHBondContact O-N 2.86Å |
| 412 | T | 82.3 | Confident | 77.9 | Confident | 58 Ų | 58 | 79.4 Ų | 79.4 | 36% | 0.356 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.3 | -42.1 | 178.8 | -54.2 | 0 | 0 | 0 | 0 | 112 | I408 I409 Y410 L414 Q415 N416 | I408-T412 PolarHBondContact O-N 3.38Å; I408-T412 PolarHBondContact O-OG1 3.3Å; I409-T412 PolarHBondContact O-N 2.94Å; Y410-T412 VanDerWaalsContact C-N 3.31Å; Y410-T412 PolarHBondContact O-N 3.05Å; T412-L414 PolarHBondContact O-N 3.33Å; T412-Q415 PolarHBondContact O-N 3.29Å; T412-N416 PolarHBondContact O-N 3.06Å |
| 413 | L | 76.4 | Confident | 77.1 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.5 | -33.2 | 175.8 | -75.8 | 176.6 | 0 | 0 | 0 | 112.1 | I409 Y410 N417 | I409-L413 HydrophobicContact CG2-CD1 3.8Å; I409-L413 HydrophobicContact CG2-CG 4.27Å; I409-L413 WeakPolarHBondContact O-CB 3.33Å; I409-L413 VanDerWaalsContact O-CG 3.29Å; I409-L413 WeakPolarHBondContact O-CG 3.41Å; I409-L413 PolarHBondContact O-N 3.39Å; Y410-L413 PolarHBondContact O-N 2.97Å; L413-N417 PolarHBondContact O-N 2.97Å; L413-N417 PolarHBondContact O-ND2 3.37Å |
| 414 | L | 69.3 | Low | 76.5 | Confident | 15 Ų | 15 | 86.5 Ų | 86.5 | 8% | 0.079 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -74.2 | -41.2 | 175.8 | -70.6 | 177.3 | 0 | 0 | 0 | 112.1 | L97 V306 L310 Y410 S411 T412 N416 N417 | L97-L414 HydrophobicContact CD2-CD2 4.3Å; V306-L414 HydrophobicContact CG1-CD1 3.8Å; V306-L414 HydrophobicContact CG1-CD2 3.49Å; V306-L414 VanDerWaalsContact CG1-CD2 3.49Å; V306-L414 HydrophobicContact CG1-CG 4.11Å; L310-L414 HydrophobicContact CD1-CD1 3.9Å; Y410-L414 HydrophobicContact CD1-CD1 3.82Å; Y410-L414 HydrophobicContact CD2-CG 4.4Å; Y410-L414 HydrophobicContact CE1-CD1 3.46Å; Y410-L414 VanDerWaalsContact CE1-CD1 3.46Å; Y410-L414 HydrophobicContact CE1-CG 4.25Å; Y410-L414 HydrophobicContact CE2-CD1 4.19Å; Y410-L414 HydrophobicContact CE2-CD2 4.09Å; Y410-L414 HydrophobicContact CE2-CG 4.09Å; Y410-L414 HydrophobicContact CG-CD1 4.33Å; Y410-L414 WeakPolarHBondContact O-CB 3.41Å; Y410-L414 WeakPolarHBondContact O-CG 3.11Å; Y410-L414 PolarHBondContact O-N 2.83Å; S411-L414 PolarHBondContact O-N 2.95Å; T412-L414 PolarHBondContact O-N 3.33Å; L414-N416 VanDerWaalsContact C-N 3.3Å; L414-N416 PolarHBondContact O-N 2.83Å; L414-N417 PolarHBondContact O-N 3.27Å |
| 415 | Q | 70.6 | Confident | 75.7 | Confident | 134 Ų | 134 | 85.4 Ų | 85.4 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63 | -35.9 | 175.7 | -76.6 | 176.5 | -10.3 | 0 | 0 | 112.7 | S411 T412 N417 | S411-Q415 WeakPolarHBondContact O-CG 3.34Å; S411-Q415 PolarHBondContact O-N 2.86Å; T412-Q415 PolarHBondContact O-N 3.29Å; Q415-N417 VanDerWaalsContact C-N 3.32Å; Q415-N417 PolarHBondContact O-N 2.91Å |
| 416 | N | 68.7 | Low | 74.6 | Confident | 128 Ų | 128 | 84.6 Ų | 84.6 | 68% | 0.684 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.1 | 179.7 | -71.5 | -8.1 | 0 | 0 | 0 | 114.3 | T412 L414 | T412-N416 PolarHBondContact O-N 3.06Å; L414-N416 VanDerWaalsContact C-N 3.3Å; L414-N416 PolarHBondContact O-N 2.83Å |
| 417 | N | 58.4 | Low | 73.8 | Confident | 117 Ų | 117 | 89.3 Ų | 89.3 | 63% | 0.626 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 1.3 | 177.1 | -89.7 | -63.3 | 0 | 0 | 0 | 113.4 | L413 L414 Q415 | L413-N417 PolarHBondContact O-N 2.97Å; L413-N417 PolarHBondContact O-ND2 3.37Å; L414-N417 PolarHBondContact O-N 3.27Å; Q415-N417 VanDerWaalsContact C-N 3.32Å; Q415-N417 PolarHBondContact O-N 2.91Å |
| 418 | I | 48.8 | Very low | 72.9 | Confident | 181 Ų | 181 | 89.5 Ų | 89.5 | 93% | 0.928 | 47% | 0.469 | S | S | * | . | trans | -99.4 | 0 | 168.2 | -59.7 | 168.7 | 0 | 0 | 0 | 107.1 |
Retrieved 418 of 418 residues in 70.4 ms
(Link to these results)