| 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 | 40.5 | Very low | 31.8 | Very low | 239 Ų | 239 | 136.1 Ų | 136.1 | 100% | 1.177 | 86% | 0.861 | S | S | * | * | 0 | 99.9 | 0 | -75.8 | -178.6 | -168.3 | 0 | 0 | 107.3 | |||||
| 2 | T | 29.6 | Very low | 31.5 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 89% | 0.89 | 86% | 0.855 | S | S | * | * | trans | -137.8 | 109.7 | -174.2 | 29.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | A | 32 | Very low | 31.5 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 88% | 0.876 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 139.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 4 | A | 31.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 139 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 5 | L | 31.3 | Very low | 31.3 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 90% | 0.895 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -81 | 123.6 | 155.9 | -92.3 | 104.4 | 0 | 0 | 0 | 108.9 | ||
| 6 | A | 32.3 | Very low | 31.2 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 86% | 0.856 | S | S | * | * | trans | -97.8 | 105.4 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | V | 32 | Very low | 31.1 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 73% | 0.733 | 85% | 0.852 | S | S | * | * | trans | -76.5 | 129.7 | 159.8 | 172.2 | 0 | 0 | 0 | 0 | 107.1 | T9 | V7-T9 HydrophobicContact CG1-CG2 4.3Š| ||
| 8 | V | 29.5 | Very low | 31.5 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 83% | 0.83 | 85% | 0.849 | S | S | * | * | trans | -122.4 | 114.9 | 165.3 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 9 | T | 28.8 | Very low | 31.4 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 71% | 0.706 | 85% | 0.851 | S | S | * | * | trans | -74.5 | 149.4 | -179.3 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | V7 | V7-T9 HydrophobicContact CG1-CG2 4.3Š| ||
| 10 | T | 31.9 | Very low | 31.3 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -65.1 | 133.2 | 167.5 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 11 | S | 30.1 | Very low | 31.5 | Very low | 117 Ų | 117 | 144 Ų | 144 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -121 | 113.9 | 166.2 | 64 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | G | 28.9 | Very low | 30.9 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | -77.4 | 151.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 13 | L | 30.7 | Very low | 31.3 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -138.3 | 109.1 | 159.2 | -96.6 | 157.7 | 0 | 0 | 0 | 106.8 | ||||
| 14 | E | 30.4 | Very low | 31.1 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -70 | 138.9 | 165 | -64.4 | 178.3 | 142.3 | 0 | 0 | 109 | ||||
| 15 | D | 29.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -142.8 | 115.7 | 152.3 | -109.8 | -23 | 0 | 0 | 0 | 107.9 | ||||
| 16 | G | 30.1 | Very low | 31.5 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -102.7 | 132 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 17 | V | 29.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -146.1 | 131.1 | 148 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 18 | P | 38.2 | Very low | 31.6 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -90.7 | 135.5 | -177 | 34.7 | -30.5 | 0 | 0 | 0 | 111.4 | ||||
| 19 | R | 30.3 | Very low | 32.1 | Very low | 239 Ų | 239 | 137 Ų | 137 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -140.6 | 108.2 | 164.3 | -86.4 | -169.7 | 165.4 | 161 | -3.9 | 113 | ||||
| 20 | S | 28.9 | Very low | 32.8 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 38.9 | 109.7 | 142 | -61.7 | 0 | 0 | 0 | 0 | 120.6 | G22 | S20-G22 PolarHBondContact O-N 3.42Š| ||
| 21 | R | 35.2 | Very low | 33.1 | Very low | 239 Ų | 239 | 138.9 Ų | 138.9 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -8.8 | 109.3 | 136.9 | -166.6 | 174.5 | 173.6 | 175.9 | -2.3 | 114.7 | ||||
| 22 | G | 27.4 | Very low | 34.6 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -138.6 | 114.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | S20 G24 | S20-G22 PolarHBondContact O-N 3.42Å; G22-G24 PolarHBondContact O-N 3.46Å | ||
| 23 | E | 38.5 | Very low | 36.5 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -61.4 | 129.6 | 170.5 | -72.5 | 167.4 | 156.1 | 0 | 0 | 109.3 | ||||
| 24 | G | 28.8 | Very low | 38.2 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -173 | 99 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G22 G26 | G22-G24 PolarHBondContact O-N 3.46Å; G24-G26 PolarHBondContact O-N 3.42Å | ||
| 25 | T | 41.7 | Very low | 40 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 98% | 0.975 | 76% | 0.764 | S | S | * | * | trans | -57.3 | 101.8 | 168.9 | 45.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 26 | G | 29.6 | Very low | 42 | Very low | 56 Ų | 56 | 123.6 Ų | 123.6 | 58% | 0.577 | 73% | 0.73 | S | S | * | * | trans | -140.9 | 108.8 | 172 | 0 | 0 | 0 | 0 | 0 | 107.8 | G24 V28 | G24-G26 PolarHBondContact O-N 3.42Å; G26-V28 PolarHBondContact O-N 3.4Å | ||
| 27 | E | 34.1 | Very low | 43.9 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -51.7 | 110.7 | 170.1 | -162.9 | 172.1 | -162.2 | 0 | 0 | 107.8 | V29 | E27-V29 PolarHBondContact O-N 3.21Š| ||
| 28 | V | 31.2 | Very low | 46.3 | Very low | 124 Ų | 124 | 125 Ų | 125 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -70.8 | 89.3 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 106.5 | G26 V30 | G26-V28 PolarHBondContact O-N 3.4Å; V28-V30 HydrophobicContact CG1-CG2 4.11Å; V28-V30 PolarHBondContact O-N 2.98Å | ||
| 29 | V | 40.2 | Very low | 48.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | trans | -68.9 | 89.7 | 166.1 | -178.5 | 0 | 0 | 0 | 0 | 106 | E27 E31 | E27-V29 PolarHBondContact O-N 3.21Å; V29-E31 PolarHBondContact O-N 3.34Å; V29-E31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | V | 43.5 | Very low | 50.8 | Low | 108 Ų | 108 | 114.1 Ų | 114.1 | 66% | 0.655 | 67% | 0.665 | S | S | * | * | trans | -56.8 | 115.8 | 164.3 | -179.9 | 0 | 0 | 0 | 0 | 105.7 | V28 R32 | V28-V30 HydrophobicContact CG1-CG2 4.11Å; V28-V30 PolarHBondContact O-N 2.98Å; V30-R32 VanDerWaalsContact C-N 3.25Å; V30-R32 PolarHBondContact O-N 3.1Å | ||
| 31 | E | 38.8 | Very low | 53.5 | Low | 192 Ų | 192 | 111.2 Ų | 111.2 | 90% | 0.897 | 64% | 0.638 | S | S | * | * | trans | -57 | 92.6 | 174.6 | -92.1 | -170.9 | 148.4 | 0 | 0 | 108.9 | V29 G33 | V29-E31 PolarHBondContact O-N 3.34Å; V29-E31 VanDerWaalsContact O-N 3.12Å; E31-G33 PolarHBondContact O-N 3.47Å | ||
| 32 | R | 61.4 | Low | 56 | Low | 153 Ų | 153 | 104 Ų | 104 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | trans | -68.7 | 116.6 | 175.9 | -105.7 | 178 | -179.4 | -165 | 0.8 | 106.9 | V30 A36 E142 | V30-R32 VanDerWaalsContact C-N 3.25Å; V30-R32 PolarHBondContact O-N 3.1Å; R32-A36 HydrophobicContact CB-CB 3.48Å; R32-A36 VanDerWaalsContact CB-CB 3.48Å; R32-A36 HydrophobicContact CG-CB 3.54Å; R32-E142 IonicContact CZ-OE1 3.29Å; R32-E142 VanDerWaalsContact CZ-OE1 3.25Å; R32-E142 IonicContact CZ-OE2 2.99Å; R32-E142 VanDerWaalsContact NH1-CD 3.27Å; R32-E142 IonicContact NH1-OE1 3.45Å; R32-E142 PolarHBondContact NH1-OE1 2.83Å; R32-E142 IonicContact NH1-OE2 2.93Å; R32-E142 PolarHBondContact NH1-OE2 3.15Å; R32-E142 IonicContact NH2-OE1 3.94Å; R32-E142 PolarHBondContact NH2-OE1 2.94Å; R32-E142 IonicContact NH2-OE2 3.54Å | ||
| 33 | G | 69.6 | Low | 58.8 | Low | 44 Ų | 44 | 101.7 Ų | 101.7 | 45% | 0.454 | 59% | 0.592 | S | S | . | * | trans | -54.2 | 163.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E31 G35 A36 | E31-G33 PolarHBondContact O-N 3.47Å; G33-G35 PolarHBondContact O-N 3.24Å; G33-A36 WeakPolarHBondContact O-CB 3.32Å; G33-A36 PolarHBondContact O-N 2.79Å | ||
| 34 | P | 66 | Low | 61.1 | Low | 132 Ų | 132 | 92.8 Ų | 92.8 | 86% | 0.857 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -20.4 | -170.1 | 20 | -31.5 | 0 | 0 | 0 | 114.8 | ||
| 35 | G | 67.8 | Low | 63.9 | Low | 49 Ų | 49 | 92.9 Ų | 92.9 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G33 A37 Y38 H39 | G33-G35 PolarHBondContact O-N 3.24Å; G35-A37 VanDerWaalsContact C-N 3.28Å; G35-A37 PolarHBondContact O-N 2.84Å; G35-Y38 PolarHBondContact O-N 3.35Å; G35-H39 PolarHBondContact O-N 2.99Å |
| 36 | A | 71.3 | Confident | 66 | Low | 26 Ų | 26 | 88.4 Ų | 88.4 | 22% | 0.215 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -67.3 | -29.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R32 G33 Y38 H39 | R32-A36 HydrophobicContact CB-CB 3.48Å; R32-A36 VanDerWaalsContact CB-CB 3.48Å; R32-A36 HydrophobicContact CG-CB 3.54Å; G33-A36 WeakPolarHBondContact O-CB 3.32Å; G33-A36 PolarHBondContact O-N 2.79Å; A36-Y38 PolarHBondContact O-N 3.45Å; A36-H39 WeakPolarHBondContact O-CB 3.35Å; A36-H39 PolarHBondContact O-N 3.42Å |
| 37 | A | 69.8 | Low | 68.8 | Low | 75 Ų | 75 | 85.7 Ų | 85.7 | 62% | 0.62 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -61.9 | -25.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G35 | G35-A37 VanDerWaalsContact C-N 3.28Å; G35-A37 PolarHBondContact O-N 2.84Å |
| 38 | Y | 80.6 | Confident | 71.4 | Confident | 157 Ų | 157 | 77.4 Ų | 77.4 | 62% | 0.616 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -96 | -9.4 | -179.1 | -60 | -82.7 | 0 | 0 | 0 | 113.7 | G35 A36 M40 F41 | G35-Y38 PolarHBondContact O-N 3.35Å; A36-Y38 PolarHBondContact O-N 3.45Å; Y38-M40 PolarHBondContact O-N 2.82Å; Y38-F41 HydrophobicContact CD1-CD2 4.19Å; Y38-F41 HydrophobicContact CD1-CE2 4.26Å; Y38-F41 WeakPolarHBondContact O-CB 3.35Å; Y38-F41 PolarHBondContact O-N 3Å |
| 39 | H | 80.7 | Confident | 74 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 46% | 0.458 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.9 | -36.6 | -177.4 | -175.9 | 57.1 | 0 | 0 | 0 | 112.6 | G35 A36 F41 V42 V43 | G35-H39 PolarHBondContact O-N 2.99Å; A36-H39 WeakPolarHBondContact O-CB 3.35Å; A36-H39 PolarHBondContact O-N 3.42Å; H39-F41 PolarHBondContact O-N 2.96Å; H39-V42 WeakPolarHBondContact O-CB 3.32Å; H39-V42 PolarHBondContact O-N 3.22Å; H39-V42 VanDerWaalsContact O-N 3.09Å; H39-V43 WeakPolarHBondContact O-CG2 3.36Å; H39-V43 PolarHBondContact O-N 3.38Å |
| 40 | M | 81.9 | Confident | 76.3 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 17% | 0.167 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.1 | -32.3 | 176.4 | 177.4 | 177.9 | 61.2 | 0 | 0 | 113.5 | Y38 M44 A75 G141 E142 | Y38-M40 PolarHBondContact O-N 2.82Å; M40-M44 WeakPolarHBondContact O-CB 3.41Å; M40-M44 PolarHBondContact O-N 2.87Å; M40-A75 HydrophobicContact CE-CB 4.11Å; M40-A75 WeakPolarHBondContact CE-O 3.38Å; M40-A75 HydrophobicContact CG-CB 4.01Å; M40-A75 HydrophobicContact SD-CB 4.3Å; M40-G141 VanDerWaalsContact SD-CA 3.59Å; M40-E142 HydrophobicContact SD-CB 4.28Å; M40-E142 PolarHBondContact SD-N 3.46Å |
| 41 | F | 86.3 | Confident | 78.3 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.3 | -37 | 177 | -61.8 | -74 | 0 | 0 | 0 | 111.7 | Y38 H39 M44 E45 H72 A75 L76 | Y38-F41 HydrophobicContact CD1-CD2 4.19Å; Y38-F41 HydrophobicContact CD1-CE2 4.26Å; Y38-F41 WeakPolarHBondContact O-CB 3.35Å; Y38-F41 PolarHBondContact O-N 3Å; H39-F41 PolarHBondContact O-N 2.96Å; F41-M44 PolarHBondContact O-N 3.49Å; F41-E45 WeakPolarHBondContact O-CB 3.36Å; F41-E45 PolarHBondContact O-N 3.27Å; F41-H72 AromaticContact CD1-CD2 3.65Å; F41-H72 AromaticContact CE1-CD2 3.93Å; F41-A75 HydrophobicContact CD1-CB 3.62Å; F41-A75 HydrophobicContact CE1-CB 3.67Å; F41-L76 HydrophobicContact CE1-CD2 3.99Å; F41-L76 HydrophobicContact CE1-CG 4.02Å; F41-L76 HydrophobicContact CZ-CD2 3.92Å; F41-L76 HydrophobicContact CZ-CG 4.46Å |
| 42 | V | 86.1 | Confident | 80.5 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 53% | 0.527 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | H39 M44 E45 D46 | H39-V42 WeakPolarHBondContact O-CB 3.32Å; H39-V42 PolarHBondContact O-N 3.22Å; H39-V42 VanDerWaalsContact O-N 3.09Å; V42-M44 VanDerWaalsContact C-N 3.32Å; V42-M44 PolarHBondContact O-N 3.09Å; V42-E45 PolarHBondContact O-N 3.05Å; V42-D46 PolarHBondContact O-N 2.86Å |
| 43 | V | 86.3 | Confident | 81.6 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | H39 L47 C145 D149 | H39-V43 WeakPolarHBondContact O-CG2 3.36Å; H39-V43 PolarHBondContact O-N 3.38Å; V43-L47 VanDerWaalsContact O-CB 3.24Å; V43-L47 WeakPolarHBondContact O-CB 3.37Å; V43-L47 PolarHBondContact O-N 3.46Å; V43-C145 HydrophobicContact CG1-CB 3.96Å; V43-D149 HydrophobicContact CG1-CB 3.95Å |
| 44 | M | 87.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 176.3 | -178.3 | 61.1 | -165.4 | 0 | 0 | 112.2 | M40 F41 V42 L47 V48 P69 S70 R71 F74 A75 | M40-M44 WeakPolarHBondContact O-CB 3.41Å; M40-M44 PolarHBondContact O-N 2.87Å; F41-M44 PolarHBondContact O-N 3.49Å; V42-M44 VanDerWaalsContact C-N 3.32Å; V42-M44 PolarHBondContact O-N 3.09Å; M44-L47 PolarHBondContact O-N 3.32Å; M44-L47 HydrophobicContact SD-CD2 4.05Å; M44-V48 HydrophobicContact CE-CG2 3.64Å; M44-V48 WeakPolarHBondContact O-CG2 3.45Å; M44-V48 PolarHBondContact O-N 3.4Å; M44-P69 HydrophobicContact CE-CB 4.41Å; M44-S70 WeakPolarHBondContact CE-O 3.38Å; M44-R71 WeakPolarHBondContact CG-O 3.49Å; M44-F74 HydrophobicContact CE-CB 4.47Å; M44-F74 HydrophobicContact CE-CD2 3.73Å; M44-F74 HydrophobicContact SD-CB 3.83Å; M44-F74 HydrophobicContact SD-CD2 3.82Å; M44-F74 HydrophobicContact SD-CG 4.32Å; M44-A75 HydrophobicContact CB-CB 4.38Å |
| 45 | E | 87.2 | Confident | 83 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 176.5 | -175.3 | 172.7 | -169.1 | 0 | 0 | 111.4 | F41 V42 L47 V48 E49 R71 | F41-E45 WeakPolarHBondContact O-CB 3.36Å; F41-E45 PolarHBondContact O-N 3.27Å; V42-E45 PolarHBondContact O-N 3.05Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 2.86Å; E45-V48 PolarHBondContact O-N 3.3Å; E45-V48 VanDerWaalsContact O-N 3.15Å; E45-E49 PolarHBondContact O-N 3.43Å; E45-E49 VanDerWaalsContact O-N 3.09Å; E45-R71 IonicContact OE1-CZ 3.99Å; E45-R71 IonicContact OE1-NE 2.61Å; E45-R71 IonicContact OE1-NH2 2.65Å; E45-R71 PolarHBondContact OE1-NH2 2.88Å |
| 46 | D | 86.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.5 | -171.9 | 24.3 | 0 | 0 | 0 | 111.5 | V42 V48 E49 K50 | V42-D46 PolarHBondContact O-N 2.86Å; D46-V48 PolarHBondContact O-N 2.9Å; D46-E49 PolarHBondContact O-N 2.71Å; D46-E49 VanDerWaalsContact O-N 3.16Å; D46-K50 VanDerWaalsContact CG-CE 3.46Å; D46-K50 WeakPolarHBondContact O-CG 3.29Å; D46-K50 PolarHBondContact O-N 3.42Å; D46-K50 VanDerWaalsContact OD1-CE 3.29Å; D46-K50 WeakPolarHBondContact OD1-CE 3.32Å; D46-K50 IonicContact OD1-NZ 3.83Å; D46-K50 WeakPolarHBondContact OD2-CE 3.48Å; D46-K50 IonicContact OD2-NZ 2.67Å; D46-K50 PolarHBondContact OD2-NZ 2.85Å |
| 47 | L | 88.5 | Confident | 84 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.4 | -45.8 | 173.6 | 172.8 | 62.7 | 0 | 0 | 0 | 112 | V43 M44 E45 E49 K50 L51 L148 A152 | V43-L47 VanDerWaalsContact O-CB 3.24Å; V43-L47 WeakPolarHBondContact O-CB 3.37Å; V43-L47 PolarHBondContact O-N 3.46Å; M44-L47 PolarHBondContact O-N 3.32Å; M44-L47 HydrophobicContact SD-CD2 4.05Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 2.86Å; L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 2.98Å; L47-K50 PolarHBondContact O-N 3.39Å; L47-L51 HydrophobicContact CD1-CD1 4.06Å; L47-L51 HydrophobicContact CD1-CD2 4.49Å; L47-L51 HydrophobicContact CD1-CG 3.99Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.35Å; L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 2.87Å; L47-L148 HydrophobicContact CD1-CB 3.96Å; L47-L148 HydrophobicContact CD2-CB 3.57Å; L47-L148 HydrophobicContact CD2-CD1 3.98Å; L47-L148 HydrophobicContact CD2-CG 4.45Å; L47-L148 HydrophobicContact CG-CB 4.44Å; L47-A152 HydrophobicContact CD1-CB 3.87Å |
| 48 | V | 87.5 | Confident | 84.2 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -38 | 178.5 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | M44 E45 D46 L51 K52 | M44-V48 HydrophobicContact CE-CG2 3.64Å; M44-V48 WeakPolarHBondContact O-CG2 3.45Å; M44-V48 PolarHBondContact O-N 3.4Å; E45-V48 PolarHBondContact O-N 3.3Å; E45-V48 VanDerWaalsContact O-N 3.15Å; D46-V48 PolarHBondContact O-N 2.9Å; V48-L51 PolarHBondContact O-N 2.85Å; V48-K52 HydrophobicContact CG1-CD 4.47Å; V48-K52 WeakPolarHBondContact O-CG 3.27Å; V48-K52 PolarHBondContact O-N 2.84Å |
| 49 | E | 87.4 | Confident | 84.1 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 175.1 | -67.7 | -175.6 | -179.6 | 0 | 0 | 111.7 | E45 D46 L47 L51 K52 L53 | E45-E49 PolarHBondContact O-N 3.43Å; E45-E49 VanDerWaalsContact O-N 3.09Å; D46-E49 PolarHBondContact O-N 2.71Å; D46-E49 VanDerWaalsContact O-N 3.16Å; L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 2.98Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.28Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 2.89Å; E49-K52 VanDerWaalsContact O-N 3.1Å; E49-L53 WeakPolarHBondContact O-CG 3.26Å; E49-L53 PolarHBondContact O-N 3.38Å |
| 50 | K | 87.1 | Confident | 84 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.2 | -42.8 | 174 | -70.4 | 170.4 | -178 | 163 | 0 | 111.6 | D46 L47 L53 L54 D149 A152 E153 L156 | D46-K50 VanDerWaalsContact CG-CE 3.46Å; D46-K50 WeakPolarHBondContact O-CG 3.29Å; D46-K50 PolarHBondContact O-N 3.42Å; D46-K50 VanDerWaalsContact OD1-CE 3.29Å; D46-K50 WeakPolarHBondContact OD1-CE 3.32Å; D46-K50 IonicContact OD1-NZ 3.83Å; D46-K50 WeakPolarHBondContact OD2-CE 3.48Å; D46-K50 IonicContact OD2-NZ 2.67Å; D46-K50 PolarHBondContact OD2-NZ 2.85Å; L47-K50 PolarHBondContact O-N 3.39Å; K50-L53 WeakPolarHBondContact O-CB 3.41Å; K50-L53 PolarHBondContact O-N 3.35Å; K50-L54 WeakPolarHBondContact O-CG 3.32Å; K50-L54 PolarHBondContact O-N 3.36Å; K50-L54 VanDerWaalsContact O-N 3.09Å; K50-D149 WeakPolarHBondContact CD-OD1 3.33Å; K50-D149 IonicContact NZ-OD1 2.98Å; K50-D149 PolarHBondContact NZ-OD1 3.3Å; K50-D149 IonicContact NZ-OD2 3.52Å; K50-D149 PolarHBondContact NZ-OD2 2.83Å; K50-A152 HydrophobicContact CB-CB 4.09Å; K50-A152 HydrophobicContact CD-CB 4.47Å; K50-E153 HydrophobicContact CD-CG 4.11Å; K50-E153 IonicContact NZ-OE1 2.68Å; K50-E153 PolarHBondContact NZ-OE1 3.15Å; K50-L156 HydrophobicContact CB-CD1 3.76Å; K50-L156 HydrophobicContact CD-CD1 4.46Å; K50-L156 HydrophobicContact CG-CD1 3.72Å |
| 51 | L | 85.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 176 | -72 | 173.9 | 0 | 0 | 0 | 112.4 | L47 V48 E49 L53 L54 R55 Y56 L90 W93 L94 | L47-L51 HydrophobicContact CD1-CD1 4.06Å; L47-L51 HydrophobicContact CD1-CD2 4.49Å; L47-L51 HydrophobicContact CD1-CG 3.99Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.35Å; L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 2.87Å; V48-L51 PolarHBondContact O-N 2.85Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.28Å; L51-L53 VanDerWaalsContact C-N 3.33Å; L51-L53 PolarHBondContact O-N 2.97Å; L51-L54 CarbonylContact O-C 3.6Å; L51-L54 WeakPolarHBondContact O-CA 3.33Å; L51-L54 WeakPolarHBondContact O-CB 3.46Å; L51-L54 PolarHBondContact O-N 2.92Å; L51-L54 VanDerWaalsContact O-N 3.12Å; L51-R55 PolarHBondContact O-N 2.88Å; L51-Y56 HydrophobicContact CB-CD1 3.66Å; L51-Y56 HydrophobicContact CB-CD2 4.31Å; L51-Y56 HydrophobicContact CB-CE1 4.08Å; L51-Y56 HydrophobicContact CB-CG 3.79Å; L51-Y56 WeakPolarHBondContact O-CB 3.34Å; L51-Y56 WeakPolarHBondContact O-CD1 3.25Å; L51-Y56 PolarHBondContact O-N 3.35Å; L51-L90 HydrophobicContact CD1-CD2 4.04Å; L51-L90 HydrophobicContact CD2-CD1 3.93Å; L51-W93 HydrophobicContact CD2-CZ3 4.16Å; L51-L94 HydrophobicContact CD2-CD1 4.4Å; L51-L94 HydrophobicContact CD2-CD2 3.97Å |
| 52 | K | 86 | Confident | 83.1 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 174.4 | -75.3 | 173.7 | 179.4 | -179.9 | 0 | 111.8 | V48 E49 L54 R55 Y56 | V48-K52 HydrophobicContact CG1-CD 4.47Å; V48-K52 WeakPolarHBondContact O-CG 3.27Å; V48-K52 PolarHBondContact O-N 2.84Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 2.89Å; E49-K52 VanDerWaalsContact O-N 3.1Å; K52-L54 PolarHBondContact O-N 3.36Å; K52-R55 PolarHBondContact O-N 2.79Å; K52-Y56 HydrophobicContact CG-CE1 3.96Å |
| 53 | L | 84.3 | Confident | 82.6 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -33.7 | 174.3 | -65 | 176.8 | 0 | 0 | 0 | 112 | E49 K50 L51 R55 L156 F161 W163 | E49-L53 WeakPolarHBondContact O-CG 3.26Å; E49-L53 PolarHBondContact O-N 3.38Å; K50-L53 WeakPolarHBondContact O-CB 3.41Å; K50-L53 PolarHBondContact O-N 3.35Å; L51-L53 VanDerWaalsContact C-N 3.33Å; L51-L53 PolarHBondContact O-N 2.97Å; L53-R55 PolarHBondContact O-N 3.12Å; L53-L156 HydrophobicContact CB-CD2 3.92Å; L53-F161 HydrophobicContact CD1-CD1 4.39Å; L53-F161 HydrophobicContact CD1-CE1 3.84Å; L53-F161 HydrophobicContact CD1-CE2 4.47Å; L53-F161 HydrophobicContact CD1-CZ 3.89Å; L53-F161 HydrophobicContact CD2-CE1 4.46Å; L53-F161 HydrophobicContact CD2-CE2 3.89Å; L53-F161 HydrophobicContact CD2-CZ 3.66Å; L53-F161 HydrophobicContact CG-CZ 4.29Å; L53-W163 HydrophobicContact CD1-CH2 4.24Å |
| 54 | L | 83.6 | Confident | 81.7 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 3.6 | 174.6 | -64.4 | 171.2 | 0 | 0 | 0 | 114.1 | K50 L51 K52 Y56 W93 L94 A152 A155 L156 I159 | K50-L54 WeakPolarHBondContact O-CG 3.32Å; K50-L54 PolarHBondContact O-N 3.36Å; K50-L54 VanDerWaalsContact O-N 3.09Å; L51-L54 CarbonylContact O-C 3.6Å; L51-L54 WeakPolarHBondContact O-CA 3.33Å; L51-L54 WeakPolarHBondContact O-CB 3.46Å; L51-L54 PolarHBondContact O-N 2.92Å; L51-L54 VanDerWaalsContact O-N 3.12Å; K52-L54 PolarHBondContact O-N 3.36Å; L54-Y56 PolarHBondContact O-N 3.41Å; L54-W93 HydrophobicContact CB-CH2 3.8Å; L54-W93 HydrophobicContact CB-CZ3 4.29Å; L54-W93 HydrophobicContact CD1-CZ3 4.41Å; L54-L94 HydrophobicContact CD1-CD2 3.66Å; L54-A152 HydrophobicContact CD1-CB 4.39Å; L54-A155 HydrophobicContact CD1-CB 4Å; L54-A155 HydrophobicContact CD2-CB 4.21Å; L54-L156 HydrophobicContact CD1-CG 4.28Å; L54-L156 HydrophobicContact CD2-CD2 3.52Å; L54-L156 HydrophobicContact CD2-CG 3.82Å; L54-L156 HydrophobicContact CG-CD2 3.75Å; L54-L156 HydrophobicContact CG-CG 3.96Å; L54-I159 HydrophobicContact CD2-CD1 3.27Å |
| 55 | R | 81.2 | Confident | 80.9 | Confident | 147 Ų | 147 | 67.7 Ų | 67.7 | 56% | 0.555 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.5 | -176.1 | -59.3 | -172.6 | -60.3 | -151 | -0.2 | 113.5 | L51 K52 L53 E57 E58 E59 | L51-R55 PolarHBondContact O-N 2.88Å; K52-R55 PolarHBondContact O-N 2.79Å; L53-R55 PolarHBondContact O-N 3.12Å; R55-E57 PolarHBondContact O-N 2.67Å; R55-E57 VanDerWaalsContact O-N 3.14Å; R55-E58 PolarHBondContact O-N 3.43Å; R55-E58 VanDerWaalsContact O-N 3.17Å; R55-E59 HydrophobicContact CB-CG 4.48Å; R55-E59 IonicContact CZ-OE1 2.62Å; R55-E59 IonicContact NE-OE1 3.87Å; R55-E59 PolarHBondContact NE-OE1 2.86Å; R55-E59 IonicContact NH2-OE1 3.57Å; R55-E59 PolarHBondContact NH2-OE1 3.27Å; R55-E59 PolarHBondContact O-N 2.84Å; R55-E59 VanDerWaalsContact O-N 3.07Å |
| 56 | Y | 81.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -26.5 | -178.1 | 86.4 | -66.7 | 0 | 0 | 0 | 113.4 | L51 K52 L54 E58 F60 L61 P69 | L51-Y56 HydrophobicContact CB-CD1 3.66Å; L51-Y56 HydrophobicContact CB-CD2 4.31Å; L51-Y56 HydrophobicContact CB-CE1 4.08Å; L51-Y56 HydrophobicContact CB-CG 3.79Å; L51-Y56 WeakPolarHBondContact O-CB 3.34Å; L51-Y56 WeakPolarHBondContact O-CD1 3.25Å; L51-Y56 PolarHBondContact O-N 3.35Å; K52-Y56 HydrophobicContact CG-CE1 3.96Å; L54-Y56 PolarHBondContact O-N 3.41Å; Y56-E58 PolarHBondContact O-N 3Å; Y56-F60 WeakPolarHBondContact O-CA 3.31Å; Y56-F60 VanDerWaalsContact O-CB 3.28Å; Y56-F60 WeakPolarHBondContact O-CB 3.36Å; Y56-F60 PolarHBondContact O-N 3.49Å; Y56-L61 HydrophobicContact CD2-CD1 4.14Å; Y56-L61 HydrophobicContact CD2-CD2 4.35Å; Y56-L61 HydrophobicContact CD2-CG 3.99Å; Y56-L61 HydrophobicContact CE2-CD1 3.61Å; Y56-L61 HydrophobicContact CE2-CD2 4.2Å; Y56-L61 HydrophobicContact CE2-CG 3.92Å; Y56-L61 PolarHBondContact O-N 3.17Å; Y56-P69 HydrophobicContact CE2-CG 4Å |
| 57 | E | 77.6 | Confident | 79.9 | Confident | 99 Ų | 99 | 71.8 Ų | 71.8 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -66.2 | -38.4 | 178.5 | -56.5 | -173.4 | 171.4 | 0 | 0 | 112.7 | R55 L61 R62 | R55-E57 PolarHBondContact O-N 2.67Å; R55-E57 VanDerWaalsContact O-N 3.14Å; E57-L61 HydrophobicContact CB-CD1 4.26Å; E57-L61 HydrophobicContact CG-CD1 4.05Å; E57-R62 PolarHBondContact O-N 3.23Å |
| 58 | E | 75.3 | Confident | 79.2 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -86.9 | -39.6 | -179.2 | -54.7 | -159.4 | 121.1 | 0 | 0 | 112.1 | R55 Y56 R62 | R55-E58 PolarHBondContact O-N 3.43Å; R55-E58 VanDerWaalsContact O-N 3.17Å; Y56-E58 PolarHBondContact O-N 3Å; E58-R62 WeakPolarHBondContact O-CB 3.37Å; E58-R62 IonicContact OE1-NH1 3.36Å; E58-R62 IonicContact OE1-NH2 3.29Å; E58-R62 PolarHBondContact OE1-NH2 3.49Å |
| 59 | E | 77.8 | Confident | 78.7 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -93.4 | -24 | -168.9 | -62.2 | -167.8 | -160.6 | 0 | 0 | 113.7 | R55 K63 W93 K97 | R55-E59 HydrophobicContact CB-CG 4.48Å; R55-E59 IonicContact CZ-OE1 2.62Å; R55-E59 IonicContact NE-OE1 3.87Å; R55-E59 PolarHBondContact NE-OE1 2.86Å; R55-E59 IonicContact NH2-OE1 3.57Å; R55-E59 PolarHBondContact NH2-OE1 3.27Å; R55-E59 PolarHBondContact O-N 2.84Å; R55-E59 VanDerWaalsContact O-N 3.07Å; E59-K63 WeakPolarHBondContact O-CD 3.43Å; E59-W93 HydrophobicContact CB-CZ2 4.19Å; E59-K97 WeakPolarHBondContact OE2-CE 3.44Å; E59-K97 IonicContact OE2-NZ 3.74Å; E59-K97 PolarHBondContact OE2-NZ 2.83Å |
| 60 | F | 77.7 | Confident | 78.3 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -115.1 | -59.8 | 179.7 | 175.1 | -105.1 | 0 | 0 | 0 | 111.9 | Y56 R62 K63 S64 L66 L90 W93 | Y56-F60 WeakPolarHBondContact O-CA 3.31Å; Y56-F60 VanDerWaalsContact O-CB 3.28Å; Y56-F60 WeakPolarHBondContact O-CB 3.36Å; Y56-F60 PolarHBondContact O-N 3.49Å; F60-R62 PolarHBondContact O-N 2.89Å; F60-K63 PolarHBondContact O-N 3.38Å; F60-K63 VanDerWaalsContact O-N 3.1Å; F60-S64 PolarHBondContact O-N 3.43Å; F60-S64 PolarHBondContact O-OG 3.36Å; F60-L66 HydrophobicContact CE1-CD1 3.99Å; F60-L66 HydrophobicContact CZ-CD1 3.87Å; F60-L90 HydrophobicContact CD1-CD1 4.19Å; F60-L90 HydrophobicContact CE1-CB 4.5Å; F60-L90 HydrophobicContact CE1-CD1 4Å; F60-L90 HydrophobicContact CZ-CB 4.3Å; F60-L90 HydrophobicContact CZ-CD1 4.4Å; F60-W93 HydrophobicContact CB-CD2 3.93Å; F60-W93 HydrophobicContact CB-CG 4.11Å; F60-W93 HydrophobicContact CB-CZ2 4.2Å; F60-W93 HydrophobicContact CD2-CB 3.63Å; F60-W93 AromaticContact CD2-CD1 3.76Å; F60-W93 HydrophobicContact CD2-CD2 4.16Å; F60-W93 AromaticContact CD2-CG 3.56Å; F60-W93 HydrophobicContact CD2-CG 3.56Å; F60-W93 HydrophobicContact CE2-CB 3.86Å; F60-W93 HydrophobicContact CE2-CG 4.3Å; F60-W93 HydrophobicContact CG-CB 4.48Å; F60-W93 HydrophobicContact CG-CD2 4.21Å; F60-W93 HydrophobicContact CG-CG 4.1Å |
| 61 | L | 77.3 | Confident | 78 | Confident | 17 Ų | 17 | 78.8 Ų | 78.8 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | I | π-helix | trans | -61.5 | -41.3 | -173.5 | -62.5 | -177.8 | 0 | 0 | 0 | 112.9 | Y56 E57 K63 S64 N65 L66 A68 | Y56-L61 HydrophobicContact CD2-CD1 4.14Å; Y56-L61 HydrophobicContact CD2-CD2 4.35Å; Y56-L61 HydrophobicContact CD2-CG 3.99Å; Y56-L61 HydrophobicContact CE2-CD1 3.61Å; Y56-L61 HydrophobicContact CE2-CD2 4.2Å; Y56-L61 HydrophobicContact CE2-CG 3.92Å; Y56-L61 PolarHBondContact O-N 3.17Å; E57-L61 HydrophobicContact CB-CD1 4.26Å; E57-L61 HydrophobicContact CG-CD1 4.05Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.96Å; L61-S64 PolarHBondContact O-N 3.02Å; L61-N65 WeakPolarHBondContact O-CA 3.45Å; L61-N65 PolarHBondContact O-N 3.35Å; L61-L66 HydrophobicContact CD2-CB 3.96Å; L61-L66 PolarHBondContact O-N 2.88Å; L61-A68 HydrophobicContact CD1-CB 3.68Å |
| 62 | R | 73.2 | Confident | 78 | Confident | 176 Ų | 176 | 83.2 Ų | 83.2 | 66% | 0.664 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.5 | -30.1 | 178.2 | -164 | 179.5 | -67.1 | 156.4 | 3 | 113.1 | E57 E58 F60 | E57-R62 PolarHBondContact O-N 3.23Å; E58-R62 WeakPolarHBondContact O-CB 3.37Å; E58-R62 IonicContact OE1-NH1 3.36Å; E58-R62 IonicContact OE1-NH2 3.29Å; E58-R62 PolarHBondContact OE1-NH2 3.49Å; F60-R62 PolarHBondContact O-N 2.89Å |
| 63 | K | 74.2 | Confident | 78 | Confident | 172 Ų | 172 | 78.8 Ų | 78.8 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -83.1 | -35.3 | 178.5 | -68.4 | -172.2 | -175.3 | 171.9 | 0 | 112.5 | E59 F60 L61 | E59-K63 WeakPolarHBondContact O-CD 3.43Å; F60-K63 PolarHBondContact O-N 3.38Å; F60-K63 VanDerWaalsContact O-N 3.1Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.96Å |
| 64 | S | 68.1 | Low | 78.1 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -94.4 | -2.4 | -176.8 | -58 | 0 | 0 | 0 | 0 | 113.6 | F60 L61 L66 | F60-S64 PolarHBondContact O-N 3.43Å; F60-S64 PolarHBondContact O-OG 3.36Å; L61-S64 PolarHBondContact O-N 3.02Å; S64-L66 PolarHBondContact O-N 2.9Å |
| 65 | N | 71.9 | Confident | 78.3 | Confident | 159 Ų | 159 | 75.4 Ų | 75.4 | 85% | 0.85 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 34.6 | -175.4 | -161.3 | 36.5 | 0 | 0 | 0 | 113.4 | L61 | L61-N65 WeakPolarHBondContact O-CA 3.45Å; L61-N65 PolarHBondContact O-N 3.35Å |
| 66 | L | 75.3 | Confident | 78.5 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 146.3 | -178.4 | -67.8 | 174.1 | 0 | 0 | 0 | 110.7 | F60 L61 S64 Y85 M86 | F60-L66 HydrophobicContact CE1-CD1 3.99Å; F60-L66 HydrophobicContact CZ-CD1 3.87Å; L61-L66 HydrophobicContact CD2-CB 3.96Å; L61-L66 PolarHBondContact O-N 2.88Å; S64-L66 PolarHBondContact O-N 2.9Å; L66-Y85 HydrophobicContact CD2-CE1 4.37Å; L66-M86 HydrophobicContact CD1-CG 4.44Å |
| 67 | K | 76.3 | Confident | 78.8 | Confident | 181 Ų | 181 | 76 Ų | 76 | 79% | 0.787 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 142.4 | 176 | -170.8 | 175.3 | 179.3 | 179.7 | 0 | 110.3 | ||
| 68 | A | 74.6 | Confident | 79.1 | Confident | 50 Ų | 50 | 76 Ų | 76 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -58 | 126.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L61 S70 | L61-A68 HydrophobicContact CD1-CB 3.68Å; A68-S70 PolarHBondContact O-N 3.43Å |
| 69 | P | 76.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 75 Ų | 75 | 7% | 0.065 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 131.9 | 176.5 | 25.9 | -30.5 | 0 | 0 | 0 | 109.6 | M44 Y56 Y73 M86 | M44-P69 HydrophobicContact CE-CB 4.41Å; Y56-P69 HydrophobicContact CE2-CG 4Å; P69-Y73 HydrophobicContact CB-CD1 3.97Å; P69-Y73 HydrophobicContact CB-CG 3.82Å; P69-M86 HydrophobicContact CB-CE 4.27Å; P69-M86 HydrophobicContact CB-SD 4.14Å; P69-M86 HydrophobicContact CG-SD 4.43Å |
| 70 | S | 79.7 | Confident | 79.9 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 46% | 0.462 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -69 | 164.1 | 172.1 | 76.8 | 0 | 0 | 0 | 0 | 110.9 | M44 A68 H72 Y73 | M44-S70 WeakPolarHBondContact CE-O 3.38Å; A68-S70 PolarHBondContact O-N 3.43Å; S70-H72 PolarHBondContact O-N 2.88Å; S70-H72 PolarHBondContact OG-N 3.39Å; S70-Y73 VanDerWaalsContact O-CB 3.31Å; S70-Y73 WeakPolarHBondContact O-CB 3.45Å; S70-Y73 PolarHBondContact O-N 3.32Å; S70-Y73 PolarHBondContact OG-N 3.44Å |
| 71 | R | 80.8 | Confident | 80.2 | Confident | 145 Ų | 145 | 77.9 Ų | 77.9 | 55% | 0.547 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -13.3 | 176.9 | -65.2 | 173.2 | 99.5 | 164.8 | 7.2 | 114.6 | M44 E45 | M44-R71 WeakPolarHBondContact CG-O 3.49Å; E45-R71 IonicContact OE1-CZ 3.99Å; E45-R71 IonicContact OE1-NE 2.61Å; E45-R71 IonicContact OE1-NH2 2.65Å; E45-R71 PolarHBondContact OE1-NH2 2.88Å |
| 72 | H | 85 | Confident | 80.6 | Confident | 94 Ų | 94 | 81.8 Ų | 81.8 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 7.3 | -178.2 | -49.5 | 85.9 | 0 | 0 | 0 | 112.6 | F41 S70 F74 A75 L76 | F41-H72 AromaticContact CD1-CD2 3.65Å; F41-H72 AromaticContact CE1-CD2 3.93Å; S70-H72 PolarHBondContact O-N 2.88Å; S70-H72 PolarHBondContact OG-N 3.39Å; H72-F74 PolarHBondContact O-N 3.08Å; H72-A75 PolarHBondContact O-N 3.01Å; H72-A75 VanDerWaalsContact O-N 3.12Å; H72-L76 HydrophobicContact CB-CD1 4.05Å; H72-L76 HydrophobicContact CB-CG 4.36Å; H72-L76 PolarHBondContact O-N 3.29Å |
| 73 | Y | 86.5 | Confident | 81.3 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 10% | 0.098 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -43.2 | -165.4 | -173.8 | -92.5 | 0 | 0 | 0 | 114 | P69 S70 E82 Q83 M86 | P69-Y73 HydrophobicContact CB-CD1 3.97Å; P69-Y73 HydrophobicContact CB-CG 3.82Å; S70-Y73 VanDerWaalsContact O-CB 3.31Å; S70-Y73 WeakPolarHBondContact O-CB 3.45Å; S70-Y73 PolarHBondContact O-N 3.32Å; S70-Y73 PolarHBondContact OG-N 3.44Å; Y73-E82 PolarHBondContact OH-OE1 3.47Å; Y73-Q83 HydrophobicContact CE1-CB 4.5Å; Y73-Q83 HydrophobicContact CE1-CG 3.86Å; Y73-Q83 PolarHBondContact O-NE2 2.93Å; Y73-M86 HydrophobicContact CD1-CE 3.78Å; Y73-M86 HydrophobicContact CD1-SD 3.87Å; Y73-M86 HydrophobicContact CD2-CE 4.4Å; Y73-M86 HydrophobicContact CE1-CB 4.27Å; Y73-M86 HydrophobicContact CE1-CE 3.13Å; Y73-M86 HydrophobicContact CE1-CG 4.48Å; Y73-M86 HydrophobicContact CE1-SD 3.47Å; Y73-M86 WeakPolarHBondContact CE1-SD 3.38Å; Y73-M86 HydrophobicContact CE2-CE 3.83Å; Y73-M86 HydrophobicContact CG-CE 4.37Å; Y73-M86 WeakPolarHBondContact OH-CE 3.42Å |
| 74 | F | 87.1 | Confident | 82 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11.8 | 175.2 | -66.3 | -69 | 0 | 0 | 0 | 113.1 | M44 H72 M86 F87 L90 G139 Y140 G141 V144 L148 | M44-F74 HydrophobicContact CE-CB 4.47Å; M44-F74 HydrophobicContact CE-CD2 3.73Å; M44-F74 HydrophobicContact SD-CB 3.83Å; M44-F74 HydrophobicContact SD-CD2 3.82Å; M44-F74 HydrophobicContact SD-CG 4.32Å; H72-F74 PolarHBondContact O-N 3.08Å; F74-M86 HydrophobicContact CE1-CB 4.44Å; F74-M86 HydrophobicContact CE1-SD 4.41Å; F74-M86 HydrophobicContact CE2-SD 4.02Å; F74-M86 HydrophobicContact CZ-CB 4.21Å; F74-M86 HydrophobicContact CZ-CG 4.19Å; F74-M86 HydrophobicContact CZ-SD 3.53Å; F74-M86 VanDerWaalsContact CZ-SD 3.53Å; F74-F87 HydrophobicContact CE1-CB 4.04Å; F74-L90 HydrophobicContact CE2-CD2 3.97Å; F74-L90 HydrophobicContact CZ-CD2 4.25Å; F74-G139 WeakPolarHBondContact CD1-O 3.39Å; F74-Y140 CarbonylContact O-C 3.59Å; F74-Y140 WeakPolarHBondContact O-CA 3.11Å; F74-Y140 WeakPolarHBondContact O-CB 3.44Å; F74-G141 PolarHBondContact O-N 3.28Å; F74-V144 HydrophobicContact CB-CG1 4.4Å; F74-V144 HydrophobicContact CD1-CG1 3.91Å; F74-V144 HydrophobicContact CG-CG1 4.33Å; F74-L148 HydrophobicContact CD1-CD1 4.45Å; F74-L148 HydrophobicContact CD2-CD1 3.84Å; F74-L148 HydrophobicContact CE1-CD1 4.34Å; F74-L148 HydrophobicContact CE2-CD1 3.73Å; F74-L148 HydrophobicContact CG-CD1 4.22Å; F74-L148 HydrophobicContact CZ-CD1 3.98Å |
| 75 | A | 86.4 | Confident | 83 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -33 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M40 F41 M44 H72 | M40-A75 HydrophobicContact CE-CB 4.11Å; M40-A75 WeakPolarHBondContact CE-O 3.38Å; M40-A75 HydrophobicContact CG-CB 4.01Å; M40-A75 HydrophobicContact SD-CB 4.3Å; F41-A75 HydrophobicContact CD1-CB 3.62Å; F41-A75 HydrophobicContact CE1-CB 3.67Å; M44-A75 HydrophobicContact CB-CB 4.38Å; H72-A75 PolarHBondContact O-N 3.01Å; H72-A75 VanDerWaalsContact O-N 3.12Å |
| 76 | L | 86.5 | Confident | 83.7 | Confident | 81 Ų | 81 | 62 Ų | 62 | 42% | 0.424 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -111.9 | 145.8 | -179.7 | -64.5 | 176.8 | 0 | 0 | 0 | 111.6 | F41 H72 T78 Q83 | F41-L76 HydrophobicContact CE1-CD2 3.99Å; F41-L76 HydrophobicContact CE1-CG 4.02Å; F41-L76 HydrophobicContact CZ-CD2 3.92Å; F41-L76 HydrophobicContact CZ-CG 4.46Å; H72-L76 HydrophobicContact CB-CD1 4.05Å; H72-L76 HydrophobicContact CB-CG 4.36Å; H72-L76 PolarHBondContact O-N 3.29Å; L76-T78 PolarHBondContact O-N 3.06Å; L76-T78 PolarHBondContact O-OG1 3.45Å; L76-Q83 PolarHBondContact O-NE2 3.43Å |
| 77 | P | 87.1 | Confident | 84.4 | Confident | 81 Ų | 81 | 60 Ų | 60 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | trans | -66.3 | 120.7 | 170.9 | 26.6 | -31.6 | 0 | 0 | 0 | 109.6 | Y140 | P77-Y140 HydrophobicContact CB-CD1 4.14Å; P77-Y140 HydrophobicContact CB-CD2 4.04Å; P77-Y140 HydrophobicContact CB-CE1 3.88Å; P77-Y140 HydrophobicContact CB-CE2 3.75Å; P77-Y140 HydrophobicContact CB-CG 4.25Å; P77-Y140 HydrophobicContact CG-CE2 4.3Å | ||
| 78 | T | 83.4 | Confident | 85.1 | Confident | 99 Ų | 99 | 51.5 Ų | 51.5 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -116.2 | -70.1 | 174.7 | -31.7 | 0 | 0 | 0 | 0 | 108.9 | L76 Q83 | L76-T78 PolarHBondContact O-N 3.06Å; L76-T78 PolarHBondContact O-OG1 3.45Å; T78-Q83 PolarHBondContact OG1-NE2 2.98Å |
| 79 | N | 85 | Confident | 85.7 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | trans | -140 | 103.3 | 173.3 | -178.8 | -7.9 | 0 | 0 | 0 | 107.7 | G81 E82 Q83 | N79-G81 PolarHBondContact O-N 2.96Å; N79-G81 VanDerWaalsContact O-N 3.16Å; N79-G81 PolarHBondContact OD1-N 3.22Å; N79-E82 HydrophobicContact CB-CB 3.99Å; N79-E82 PolarHBondContact O-N 3.49Å; N79-Q83 VanDerWaalsContact O-CB 3.3Å; N79-Q83 WeakPolarHBondContact O-CB 3.46Å; N79-Q83 WeakPolarHBondContact O-CG 3.42Å; N79-Q83 PolarHBondContact O-N 3.26Å; N79-Q83 PolarHBondContact O-OE1 3.33Å | ||
| 80 | P | 84.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 49 Ų | 49 | 41% | 0.409 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.7 | -35.3 | -171.9 | -26.7 | 34.1 | 0 | 0 | 0 | 114.1 | F84 S138 Y140 | P80-F84 WeakPolarHBondContact O-CB 3.45Å; P80-F84 PolarHBondContact O-N 3Å; P80-S138 WeakPolarHBondContact CA-O 3.35Å; P80-Y140 HydrophobicContact CB-CE1 4.21Å; P80-Y140 HydrophobicContact CG-CE1 3.96Å |
| 81 | G | 84.1 | Confident | 86.8 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.7 | -46 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N79 F84 Y85 | N79-G81 PolarHBondContact O-N 2.96Å; N79-G81 VanDerWaalsContact O-N 3.16Å; N79-G81 PolarHBondContact OD1-N 3.22Å; G81-F84 PolarHBondContact O-N 2.75Å; G81-Y85 PolarHBondContact O-N 3Å |
| 82 | E | 86.3 | Confident | 87.2 | Confident | 99 Ų | 99 | 39 Ų | 39 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 176.6 | -171.1 | -170.2 | 155.2 | 0 | 0 | 111.4 | Y73 N79 F84 Y85 M86 | Y73-E82 PolarHBondContact OH-OE1 3.47Å; N79-E82 HydrophobicContact CB-CB 3.99Å; N79-E82 PolarHBondContact O-N 3.49Å; E82-F84 VanDerWaalsContact C-N 3.34Å; E82-F84 PolarHBondContact O-N 3.46Å; E82-Y85 PolarHBondContact O-N 2.93Å; E82-M86 WeakPolarHBondContact O-CB 3.44Å; E82-M86 PolarHBondContact O-N 3.29Å |
| 83 | Q | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -39.5 | 177 | -72.3 | 175.2 | -56.4 | 0 | 0 | 111.4 | Y73 L76 T78 N79 M86 F87 G139 | Y73-Q83 HydrophobicContact CE1-CB 4.5Å; Y73-Q83 HydrophobicContact CE1-CG 3.86Å; Y73-Q83 PolarHBondContact O-NE2 2.93Å; L76-Q83 PolarHBondContact O-NE2 3.43Å; T78-Q83 PolarHBondContact OG1-NE2 2.98Å; N79-Q83 VanDerWaalsContact O-CB 3.3Å; N79-Q83 WeakPolarHBondContact O-CB 3.46Å; N79-Q83 WeakPolarHBondContact O-CG 3.42Å; N79-Q83 PolarHBondContact O-N 3.26Å; N79-Q83 PolarHBondContact O-OE1 3.33Å; Q83-M86 PolarHBondContact O-N 3.42Å; Q83-F87 VanDerWaalsContact O-CB 3.3Å; Q83-F87 WeakPolarHBondContact O-CB 3.14Å; Q83-F87 PolarHBondContact O-N 3.3Å; Q83-G139 WeakPolarHBondContact CB-O 3.22Å |
| 84 | F | 89.2 | Confident | 87.5 | Confident | 35 Ų | 35 | 34.3 Ų | 34.3 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 175 | -178.6 | -106.3 | 0 | 0 | 0 | 112.1 | P80 G81 E82 M86 F87 C88 P111 I115 | P80-F84 WeakPolarHBondContact O-CB 3.45Å; P80-F84 PolarHBondContact O-N 3Å; G81-F84 PolarHBondContact O-N 2.75Å; E82-F84 VanDerWaalsContact C-N 3.34Å; E82-F84 PolarHBondContact O-N 3.46Å; F84-M86 PolarHBondContact O-N 2.84Å; F84-F87 HydrophobicContact CD2-CD1 4.35Å; F84-F87 HydrophobicContact CE2-CD1 4.35Å; F84-F87 WeakPolarHBondContact O-CB 3.36Å; F84-F87 PolarHBondContact O-N 3.46Å; F84-C88 WeakPolarHBondContact CZ-SG 3.31Å; F84-C88 PolarHBondContact O-N 3.22Å; F84-C88 PolarHBondContact O-SG 2.92Å; F84-C88 VanDerWaalsContact O-SG 3.39Å; F84-P111 HydrophobicContact CE1-CB 3.79Å; F84-P111 HydrophobicContact CE1-CG 4.25Å; F84-P111 HydrophobicContact CZ-CB 3.7Å; F84-I115 HydrophobicContact CE2-CD1 3.67Å; F84-I115 HydrophobicContact CE2-CG1 3.82Å; F84-I115 HydrophobicContact CZ-CD1 4.02Å; F84-I115 HydrophobicContact CZ-CG1 4.06Å |
| 85 | Y | 87.9 | Confident | 87.5 | Confident | 91 Ų | 91 | 34.3 Ų | 34.3 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.1 | 178.8 | -104.1 | 0 | 0 | 0 | 111.8 | L66 G81 E82 F87 C88 T89 E107 | L66-Y85 HydrophobicContact CD2-CE1 4.37Å; G81-Y85 PolarHBondContact O-N 3Å; E82-Y85 PolarHBondContact O-N 2.93Å; Y85-F87 PolarHBondContact O-N 2.65Å; Y85-C88 PolarHBondContact O-N 2.92Å; Y85-T89 HydrophobicContact CD1-CG2 4.44Å; Y85-T89 HydrophobicContact CD2-CG2 4.28Å; Y85-T89 HydrophobicContact CE1-CG2 4.03Å; Y85-T89 HydrophobicContact CE2-CG2 3.84Å; Y85-T89 WeakPolarHBondContact O-CB 3Å; Y85-T89 WeakPolarHBondContact O-CG2 3.46Å; Y85-T89 PolarHBondContact O-N 3.44Å; Y85-T89 PolarHBondContact O-OG1 2.89Å; Y85-E107 HydrophobicContact CD2-CG 4.31Å; Y85-E107 HydrophobicContact CE2-CG 4Å |
| 86 | M | 87.1 | Confident | 87.6 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 177 | -157.1 | -148.4 | -83.3 | 0 | 0 | 111.6 | L66 P69 Y73 F74 E82 Q83 F84 T89 L90 | L66-M86 HydrophobicContact CD1-CG 4.44Å; P69-M86 HydrophobicContact CB-CE 4.27Å; P69-M86 HydrophobicContact CB-SD 4.14Å; P69-M86 HydrophobicContact CG-SD 4.43Å; Y73-M86 HydrophobicContact CD1-CE 3.78Å; Y73-M86 HydrophobicContact CD1-SD 3.87Å; Y73-M86 HydrophobicContact CD2-CE 4.4Å; Y73-M86 HydrophobicContact CE1-CB 4.27Å; Y73-M86 HydrophobicContact CE1-CE 3.13Å; Y73-M86 HydrophobicContact CE1-CG 4.48Å; Y73-M86 HydrophobicContact CE1-SD 3.47Å; Y73-M86 WeakPolarHBondContact CE1-SD 3.38Å; Y73-M86 HydrophobicContact CE2-CE 3.83Å; Y73-M86 HydrophobicContact CG-CE 4.37Å; Y73-M86 WeakPolarHBondContact OH-CE 3.42Å; F74-M86 HydrophobicContact CE1-CB 4.44Å; F74-M86 HydrophobicContact CE1-SD 4.41Å; F74-M86 HydrophobicContact CE2-SD 4.02Å; F74-M86 HydrophobicContact CZ-CB 4.21Å; F74-M86 HydrophobicContact CZ-CG 4.19Å; F74-M86 HydrophobicContact CZ-SD 3.53Å; F74-M86 VanDerWaalsContact CZ-SD 3.53Å; E82-M86 WeakPolarHBondContact O-CB 3.44Å; E82-M86 PolarHBondContact O-N 3.29Å; Q83-M86 PolarHBondContact O-N 3.42Å; F84-M86 PolarHBondContact O-N 2.84Å; M86-T89 WeakPolarHBondContact CA-OG1 3.29Å; M86-T89 PolarHBondContact O-OG1 3.28Å; M86-T89 VanDerWaalsContact O-OG1 3.11Å; M86-L90 WeakPolarHBondContact O-CB 3.45Å; M86-L90 PolarHBondContact O-N 2.85Å |
| 87 | F | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 174 | 163 | -108.4 | 0 | 0 | 0 | 111.7 | F74 Q83 F84 Y85 L90 A91 I118 L136 V144 V147 L148 | F74-F87 HydrophobicContact CE1-CB 4.04Å; Q83-F87 VanDerWaalsContact O-CB 3.3Å; Q83-F87 WeakPolarHBondContact O-CB 3.14Å; Q83-F87 PolarHBondContact O-N 3.3Å; F84-F87 HydrophobicContact CD2-CD1 4.35Å; F84-F87 HydrophobicContact CE2-CD1 4.35Å; F84-F87 WeakPolarHBondContact O-CB 3.36Å; F84-F87 PolarHBondContact O-N 3.46Å; Y85-F87 PolarHBondContact O-N 2.65Å; F87-L90 PolarHBondContact O-N 2.87Å; F87-A91 VanDerWaalsContact O-CB 3.23Å; F87-A91 WeakPolarHBondContact O-CB 3.5Å; F87-A91 PolarHBondContact O-N 2.89Å; F87-I118 HydrophobicContact CE1-CD1 4.24Å; F87-I118 HydrophobicContact CZ-CD1 4.48Å; F87-L136 HydrophobicContact CE1-CB 4.32Å; F87-L136 HydrophobicContact CZ-CD1 4.17Å; F87-L136 HydrophobicContact CZ-CD2 4.29Å; F87-V144 HydrophobicContact CB-CG1 4.27Å; F87-V144 HydrophobicContact CD2-CG1 3.54Å; F87-V144 HydrophobicContact CE2-CG1 4.09Å; F87-V144 HydrophobicContact CG-CG1 4.01Å; F87-V147 HydrophobicContact CE2-CB 4.31Å; F87-V147 HydrophobicContact CE2-CG1 4.07Å; F87-V147 HydrophobicContact CZ-CG1 4.2Å; F87-L148 HydrophobicContact CD2-CD1 3.98Å; F87-L148 HydrophobicContact CD2-CD2 3.84Å; F87-L148 HydrophobicContact CD2-CG 3.79Å; F87-L148 HydrophobicContact CE2-CD2 4.1Å; F87-L148 HydrophobicContact CE2-CG 4.03Å |
| 88 | C | 89 | Confident | 87.5 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | -178.4 | -74.3 | 0 | 0 | 0 | 0 | 112.2 | F84 Y85 A92 P105 T114 | F84-C88 WeakPolarHBondContact CZ-SG 3.31Å; F84-C88 PolarHBondContact O-N 3.22Å; F84-C88 PolarHBondContact O-SG 2.92Å; F84-C88 VanDerWaalsContact O-SG 3.39Å; Y85-C88 PolarHBondContact O-N 2.92Å; C88-A92 VanDerWaalsContact O-CB 3.3Å; C88-A92 WeakPolarHBondContact O-CB 3.37Å; C88-A92 PolarHBondContact O-N 3.35Å; C88-P105 HydrophobicContact CB-CB 4.29Å; C88-P105 HydrophobicContact CB-CG 4.11Å; C88-T114 HydrophobicContact CB-CG2 4.29Å |
| 89 | T | 88.3 | Confident | 87.3 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 179.3 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | Y85 M86 W93 | Y85-T89 HydrophobicContact CD1-CG2 4.44Å; Y85-T89 HydrophobicContact CD2-CG2 4.28Å; Y85-T89 HydrophobicContact CE1-CG2 4.03Å; Y85-T89 HydrophobicContact CE2-CG2 3.84Å; Y85-T89 WeakPolarHBondContact O-CB 3Å; Y85-T89 WeakPolarHBondContact O-CG2 3.46Å; Y85-T89 PolarHBondContact O-N 3.44Å; Y85-T89 PolarHBondContact O-OG1 2.89Å; M86-T89 WeakPolarHBondContact CA-OG1 3.29Å; M86-T89 PolarHBondContact O-OG1 3.28Å; M86-T89 VanDerWaalsContact O-OG1 3.11Å; T89-W93 WeakPolarHBondContact O-CB 3.22Å; T89-W93 PolarHBondContact O-N 2.94Å |
| 90 | L | 88.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.9 | -43.9 | 176.6 | -175.4 | 63.4 | 0 | 0 | 0 | 111.7 | L51 F60 F74 M86 F87 A92 W93 L94 L148 | L51-L90 HydrophobicContact CD1-CD2 4.04Å; L51-L90 HydrophobicContact CD2-CD1 3.93Å; F60-L90 HydrophobicContact CD1-CD1 4.19Å; F60-L90 HydrophobicContact CE1-CB 4.5Å; F60-L90 HydrophobicContact CE1-CD1 4Å; F60-L90 HydrophobicContact CZ-CB 4.3Å; F60-L90 HydrophobicContact CZ-CD1 4.4Å; F74-L90 HydrophobicContact CE2-CD2 3.97Å; F74-L90 HydrophobicContact CZ-CD2 4.25Å; M86-L90 WeakPolarHBondContact O-CB 3.45Å; M86-L90 PolarHBondContact O-N 2.85Å; F87-L90 PolarHBondContact O-N 2.87Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.02Å; L90-W93 HydrophobicContact CD1-CE3 4.12Å; L90-W93 PolarHBondContact O-N 2.84Å; L90-L94 HydrophobicContact CG-CD1 4.3Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.95Å; L90-L148 HydrophobicContact CB-CD2 4.28Å; L90-L148 HydrophobicContact CD2-CD1 3.97Å; L90-L148 HydrophobicContact CD2-CD2 4Å; L90-L148 HydrophobicContact CG-CD2 4.07Å |
| 91 | A | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F87 W93 L94 I95 I118 L148 L151 | F87-A91 VanDerWaalsContact O-CB 3.23Å; F87-A91 WeakPolarHBondContact O-CB 3.5Å; F87-A91 PolarHBondContact O-N 2.89Å; A91-W93 VanDerWaalsContact C-N 3.32Å; A91-W93 PolarHBondContact O-N 3.47Å; A91-L94 PolarHBondContact O-N 2.86Å; A91-I95 WeakPolarHBondContact O-CD1 3.28Å; A91-I95 VanDerWaalsContact O-CG1 3.23Å; A91-I95 WeakPolarHBondContact O-CG1 3.22Å; A91-I95 PolarHBondContact O-N 2.77Å; A91-I118 HydrophobicContact CB-CD1 3.85Å; A91-I118 HydrophobicContact CB-CG1 4.24Å; A91-I118 HydrophobicContact CB-CG2 4.03Å; A91-L148 HydrophobicContact CB-CD2 4.11Å; A91-L151 HydrophobicContact CB-CD1 3.89Å |
| 92 | A | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C88 L90 N96 F102 P105 | C88-A92 VanDerWaalsContact O-CB 3.3Å; C88-A92 WeakPolarHBondContact O-CB 3.37Å; C88-A92 PolarHBondContact O-N 3.35Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.02Å; A92-N96 PolarHBondContact O-N 3.32Å; A92-N96 VanDerWaalsContact O-N 3.09Å; A92-N96 PolarHBondContact O-ND2 2.85Å; A92-F102 HydrophobicContact CB-CD1 3.43Å; A92-F102 VanDerWaalsContact CB-CD1 3.43Å; A92-F102 HydrophobicContact CB-CE1 3.67Å; A92-P105 HydrophobicContact CB-CG 4.48Å |
| 93 | W | 89.4 | Confident | 86.6 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.1 | 178.9 | 79.8 | 0 | 0 | 0 | 112.3 | L51 L54 E59 F60 T89 L90 A91 N96 K97 | L51-W93 HydrophobicContact CD2-CZ3 4.16Å; L54-W93 HydrophobicContact CB-CH2 3.8Å; L54-W93 HydrophobicContact CB-CZ3 4.29Å; L54-W93 HydrophobicContact CD1-CZ3 4.41Å; E59-W93 HydrophobicContact CB-CZ2 4.19Å; F60-W93 HydrophobicContact CB-CD2 3.93Å; F60-W93 HydrophobicContact CB-CG 4.11Å; F60-W93 HydrophobicContact CB-CZ2 4.2Å; F60-W93 HydrophobicContact CD2-CB 3.63Å; F60-W93 AromaticContact CD2-CD1 3.76Å; F60-W93 HydrophobicContact CD2-CD2 4.16Å; F60-W93 AromaticContact CD2-CG 3.56Å; F60-W93 HydrophobicContact CD2-CG 3.56Å; F60-W93 HydrophobicContact CE2-CB 3.86Å; F60-W93 HydrophobicContact CE2-CG 4.3Å; F60-W93 HydrophobicContact CG-CB 4.48Å; F60-W93 HydrophobicContact CG-CD2 4.21Å; F60-W93 HydrophobicContact CG-CG 4.1Å; T89-W93 WeakPolarHBondContact O-CB 3.22Å; T89-W93 PolarHBondContact O-N 2.94Å; L90-W93 HydrophobicContact CD1-CE3 4.12Å; L90-W93 PolarHBondContact O-N 2.84Å; A91-W93 VanDerWaalsContact C-N 3.32Å; A91-W93 PolarHBondContact O-N 3.47Å; W93-N96 PolarHBondContact O-N 3.44Å; W93-K97 HydrophobicContact CD2-CG 4.09Å; W93-K97 HydrophobicContact CE3-CG 4.49Å; W93-K97 HydrophobicContact CH2-CG 4.35Å; W93-K97 HydrophobicContact CZ2-CD 4.33Å; W93-K97 HydrophobicContact CZ2-CG 3.92Å; W93-K97 WeakPolarHBondContact O-CB 3.46Å; W93-K97 WeakPolarHBondContact O-CG 3.33Å; W93-K97 PolarHBondContact O-N 3.26Å |
| 94 | L | 88.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.9 | -70.6 | 173.3 | 0 | 0 | 0 | 112.4 | L51 L54 L90 A91 K97 A98 L148 L151 A152 A155 | L51-L94 HydrophobicContact CD2-CD1 4.4Å; L51-L94 HydrophobicContact CD2-CD2 3.97Å; L54-L94 HydrophobicContact CD1-CD2 3.66Å; L90-L94 HydrophobicContact CG-CD1 4.3Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.95Å; A91-L94 PolarHBondContact O-N 2.86Å; L94-K97 CarbonylContact O-C 3.59Å; L94-K97 WeakPolarHBondContact O-CB 3.39Å; L94-K97 PolarHBondContact O-N 2.62Å; L94-A98 PolarHBondContact O-N 2.94Å; L94-L148 HydrophobicContact CD1-CD2 4.19Å; L94-L151 HydrophobicContact CB-CB 3.89Å; L94-L151 HydrophobicContact CD1-CB 3.91Å; L94-A152 HydrophobicContact CD1-CB 4.24Å; L94-A152 HydrophobicContact CD2-CB 4.23Å; L94-A155 HydrophobicContact CD2-CB 4.32Å |
| 95 | I | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.5 | -65.6 | 162.7 | 0 | 0 | 0 | 110.7 | A91 K97 A98 G99 R100 F102 I118 E121 L151 | A91-I95 WeakPolarHBondContact O-CD1 3.28Å; A91-I95 VanDerWaalsContact O-CG1 3.23Å; A91-I95 WeakPolarHBondContact O-CG1 3.22Å; A91-I95 PolarHBondContact O-N 2.77Å; I95-K97 VanDerWaalsContact C-N 3.27Å; I95-K97 PolarHBondContact O-N 2.91Å; I95-A98 PolarHBondContact O-N 2.78Å; I95-A98 VanDerWaalsContact O-N 3.15Å; I95-G99 PolarHBondContact O-N 3.37Å; I95-R100 CarbonylContact C-O 3.59Å; I95-R100 HydrophobicContact CG2-CB 3.9Å; I95-R100 PolarHBondContact O-N 3.44Å; I95-F102 HydrophobicContact CB-CB 4.05Å; I95-F102 HydrophobicContact CB-CG 4.32Å; I95-F102 HydrophobicContact CD1-CD2 3.86Å; I95-F102 HydrophobicContact CD1-CE2 4Å; I95-F102 HydrophobicContact CD1-CG 4.12Å; I95-F102 HydrophobicContact CD1-CZ 4.4Å; I95-F102 HydrophobicContact CG2-CB 3.66Å; I95-F102 HydrophobicContact CG2-CD2 4.13Å; I95-F102 HydrophobicContact CG2-CG 4.12Å; I95-I118 HydrophobicContact CD1-CG1 4.44Å; I95-I118 HydrophobicContact CD1-CG2 4.45Å; I95-E121 HydrophobicContact CD1-CB 3.92Å; I95-E121 HydrophobicContact CD1-CG 4.25Å; I95-E121 HydrophobicContact CG1-CB 4.33Å; I95-E121 HydrophobicContact CG2-CB 4.29Å; I95-E121 HydrophobicContact CG2-CG 4.17Å; I95-L151 HydrophobicContact CD1-CD1 4.4Å; I95-L151 HydrophobicContact CD1-CD2 4.45Å; I95-L151 HydrophobicContact CG1-CD1 4.2Å; I95-L151 HydrophobicContact CG1-CD2 3.74Å |
| 96 | N | 88.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 42 Ų | 42 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.9 | -38 | 173.9 | -77.9 | -62 | 0 | 0 | 0 | 112.1 | A92 W93 A98 G99 R100 F102 | A92-N96 PolarHBondContact O-N 3.32Å; A92-N96 VanDerWaalsContact O-N 3.09Å; A92-N96 PolarHBondContact O-ND2 2.85Å; W93-N96 PolarHBondContact O-N 3.44Å; N96-A98 VanDerWaalsContact C-N 3.33Å; N96-G99 PolarHBondContact O-N 2.78Å; N96-G99 VanDerWaalsContact O-N 3.15Å; N96-R100 VanDerWaalsContact CA-O 3.28Å; N96-R100 WeakPolarHBondContact CA-O 3.43Å; N96-R100 PolarHBondContact OD1-O 3.21Å; N96-F102 PolarHBondContact ND2-O 3.23Å; N96-F102 PolarHBondContact OD1-N 2.88Å; N96-F102 PolarHBondContact OD1-O 2.88Å |
| 97 | K | 85 | Confident | 84.2 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.6 | -30 | 175.8 | -79.2 | -67.7 | -173.7 | -179.3 | 0 | 113.8 | E59 W93 L94 I95 G99 A155 Y158 | E59-K97 WeakPolarHBondContact OE2-CE 3.44Å; E59-K97 IonicContact OE2-NZ 3.74Å; E59-K97 PolarHBondContact OE2-NZ 2.83Å; W93-K97 HydrophobicContact CD2-CG 4.09Å; W93-K97 HydrophobicContact CE3-CG 4.49Å; W93-K97 HydrophobicContact CH2-CG 4.35Å; W93-K97 HydrophobicContact CZ2-CD 4.33Å; W93-K97 HydrophobicContact CZ2-CG 3.92Å; W93-K97 WeakPolarHBondContact O-CB 3.46Å; W93-K97 WeakPolarHBondContact O-CG 3.33Å; W93-K97 PolarHBondContact O-N 3.26Å; L94-K97 CarbonylContact O-C 3.59Å; L94-K97 WeakPolarHBondContact O-CB 3.39Å; L94-K97 PolarHBondContact O-N 2.62Å; I95-K97 VanDerWaalsContact C-N 3.27Å; I95-K97 PolarHBondContact O-N 2.91Å; K97-G99 PolarHBondContact O-N 2.9Å; K97-A155 HydrophobicContact CB-CB 4.04Å; K97-Y158 VanDerWaalsContact O-CD1 3.25Å; K97-Y158 WeakPolarHBondContact O-CD1 3.42Å |
| 98 | A | 85.3 | Confident | 83.3 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 7.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L94 I95 N96 F125 A155 | L94-A98 PolarHBondContact O-N 2.94Å; I95-A98 PolarHBondContact O-N 2.78Å; I95-A98 VanDerWaalsContact O-N 3.15Å; N96-A98 VanDerWaalsContact C-N 3.33Å; A98-F125 HydrophobicContact CB-CE1 4.02Å; A98-F125 HydrophobicContact CB-CE2 4.44Å; A98-F125 HydrophobicContact CB-CZ 3.65Å; A98-A155 HydrophobicContact CB-CB 4.46Å |
| 99 | G | 79.5 | Confident | 82.8 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 11 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I95 N96 K97 | I95-G99 PolarHBondContact O-N 3.37Å; N96-G99 PolarHBondContact O-N 2.78Å; N96-G99 VanDerWaalsContact O-N 3.15Å; K97-G99 PolarHBondContact O-N 2.9Å |
| 100 | R | 82.9 | Confident | 82.6 | Confident | 98 Ų | 98 | 66 Ų | 66 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | trans | -106.8 | 131.5 | 175.3 | -65.8 | -168.8 | -178 | -98.1 | 0.7 | 111.1 | I95 N96 F102 E121 S124 F125 | I95-R100 CarbonylContact C-O 3.59Å; I95-R100 HydrophobicContact CG2-CB 3.9Å; I95-R100 PolarHBondContact O-N 3.44Å; N96-R100 VanDerWaalsContact CA-O 3.28Å; N96-R100 WeakPolarHBondContact CA-O 3.43Å; N96-R100 PolarHBondContact OD1-O 3.21Å; R100-F102 PolarHBondContact O-N 3.39Å; R100-E121 WeakPolarHBondContact CD-OE2 3.3Å; R100-E121 IonicContact NE-OE2 2.76Å; R100-S124 VanDerWaalsContact CZ-OG 3.23Å; R100-S124 PolarHBondContact NE-OG 2.76Å; R100-S124 PolarHBondContact NH2-OG 2.83Å; R100-F125 HydrophobicContact CB-CZ 4.45Å; R100-F125 VanDerWaalsContact CD-CZ 3.44Å; R100-F125 HydrophobicContact CG-CE1 4.05Å; R100-F125 HydrophobicContact CG-CZ 3.86Å | ||
| 101 | P | 79.6 | Confident | 82.3 | Confident | 124 Ų | 124 | 68.4 Ų | 68.4 | 81% | 0.805 | 34% | 0.342 | S | S | * | . | trans | -67.7 | 120.6 | 177.7 | 28.3 | -32.9 | 0 | 0 | 0 | 109.9 | ||||
| 102 | F | 85.4 | Confident | 82.1 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | trans | -133.8 | 124.3 | 176.4 | -167.6 | -86.6 | 0 | 0 | 0 | 109.9 | A92 I95 N96 R100 P105 N117 I118 E121 | A92-F102 HydrophobicContact CB-CD1 3.43Å; A92-F102 VanDerWaalsContact CB-CD1 3.43Å; A92-F102 HydrophobicContact CB-CE1 3.67Å; I95-F102 HydrophobicContact CB-CB 4.05Å; I95-F102 HydrophobicContact CB-CG 4.32Å; I95-F102 HydrophobicContact CD1-CD2 3.86Å; I95-F102 HydrophobicContact CD1-CE2 4Å; I95-F102 HydrophobicContact CD1-CG 4.12Å; I95-F102 HydrophobicContact CD1-CZ 4.4Å; I95-F102 HydrophobicContact CG2-CB 3.66Å; I95-F102 HydrophobicContact CG2-CD2 4.13Å; I95-F102 HydrophobicContact CG2-CG 4.12Å; N96-F102 PolarHBondContact ND2-O 3.23Å; N96-F102 PolarHBondContact OD1-N 2.88Å; N96-F102 PolarHBondContact OD1-O 2.88Å; R100-F102 PolarHBondContact O-N 3.39Å; F102-P105 HydrophobicContact CE1-CG 4.15Å; F102-N117 HydrophobicContact CE2-CB 4.04Å; F102-N117 HydrophobicContact CZ-CB 4.24Å; F102-I118 HydrophobicContact CE1-CG1 4.36Å; F102-I118 HydrophobicContact CE2-CG1 4.34Å; F102-I118 HydrophobicContact CZ-CG1 3.69Å; F102-E121 HydrophobicContact CD2-CG 3.92Å; F102-E121 HydrophobicContact CE2-CG 4.14Å | ||
| 103 | E | 78.5 | Confident | 82 | Confident | 178 Ų | 178 | 73.3 Ų | 73.3 | 83% | 0.832 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 138.9 | 179.1 | -67.7 | -173.2 | 165.5 | 0 | 0 | 110.8 | P105 | E103-P105 VanDerWaalsContact O-CD 3.32Å; E103-P105 WeakPolarHBondContact O-CD 3.47Å |
| 104 | Q | 78.8 | Confident | 81.9 | Confident | 106 Ų | 106 | 72.9 Ų | 72.9 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 122.6 | 176.6 | -76.1 | -174.4 | 3.9 | 0 | 0 | 109.7 | Q106 | Q104-Q106 PolarHBondContact O-N 2.98Š|
| 105 | P | 78.9 | Confident | 81.9 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 8% | 0.078 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 131.9 | 179.6 | -22.2 | 34.1 | 0 | 0 | 0 | 111 | C88 A92 F102 E103 D109 T114 | C88-P105 HydrophobicContact CB-CB 4.29Å; C88-P105 HydrophobicContact CB-CG 4.11Å; A92-P105 HydrophobicContact CB-CG 4.48Å; F102-P105 HydrophobicContact CE1-CG 4.15Å; E103-P105 VanDerWaalsContact O-CD 3.32Å; E103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-D109 WeakPolarHBondContact CA-OD2 3.36Å; P105-T114 HydrophobicContact CB-CG2 3.64Å; P105-T114 HydrophobicContact CG-CG2 3.47Å; P105-T114 VanDerWaalsContact CG-CG2 3.47Å |
| 106 | Q | 75.8 | Confident | 81.9 | Confident | 125 Ų | 125 | 75.3 Ų | 75.3 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 158.3 | 174.5 | -61.7 | -62.8 | -43.9 | 0 | 0 | 110.8 | Q104 Y108 D109 | Q104-Q106 PolarHBondContact O-N 2.98Å; Q106-Y108 PolarHBondContact O-N 3.24Å; Q106-Y108 VanDerWaalsContact O-N 3.08Å; Q106-D109 PolarHBondContact N-OD2 3.25Å; Q106-D109 WeakPolarHBondContact O-CB 3.37Å; Q106-D109 PolarHBondContact O-N 3.42Å; Q106-D109 VanDerWaalsContact O-N 3.1Å |
| 107 | E | 68.3 | Low | 81.9 | Confident | 145 Ų | 145 | 76.4 Ų | 76.4 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.4 | 179.7 | -67.4 | -177.4 | 174.7 | 0 | 0 | 114 | Y85 | Y85-E107 HydrophobicContact CD2-CG 4.31Å; Y85-E107 HydrophobicContact CE2-CG 4Å |
| 108 | Y | 71.3 | Confident | 82.1 | Confident | 215 Ų | 215 | 73.7 Ų | 73.7 | 84% | 0.843 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.6 | -179.4 | -57.6 | -77.6 | 0 | 0 | 0 | 114 | Q106 | Q106-Y108 PolarHBondContact O-N 3.24Å; Q106-Y108 VanDerWaalsContact O-N 3.08Å |
| 109 | D | 79.7 | Confident | 82.2 | Confident | 75 Ų | 75 | 74 Ų | 74 | 40% | 0.401 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -71.3 | 145.6 | -179.8 | -69.3 | -20.9 | 0 | 0 | 0 | 110.9 | P105 Q106 P111 | P105-D109 WeakPolarHBondContact CA-OD2 3.36Å; Q106-D109 PolarHBondContact N-OD2 3.25Å; Q106-D109 WeakPolarHBondContact O-CB 3.37Å; Q106-D109 PolarHBondContact O-N 3.42Å; Q106-D109 VanDerWaalsContact O-N 3.1Å; D109-P111 VanDerWaalsContact O-CD 3.23Å; D109-P111 WeakPolarHBondContact O-CD 3.37Å |
| 110 | D | 82.5 | Confident | 82.6 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | trans | -62.4 | 120.3 | 178.4 | 174.8 | 63.9 | 0 | 0 | 0 | 110.4 | N112 A113 T114 | D110-N112 PolarHBondContact O-N 3.32Å; D110-N112 VanDerWaalsContact O-N 3.15Å; D110-N112 WeakPolarHBondContact OD2-CB 3.49Å; D110-N112 PolarHBondContact OD2-N 2.89Å; D110-A113 HydrophobicContact CB-CB 3.99Å; D110-A113 PolarHBondContact O-N 3.32Å; D110-A113 VanDerWaalsContact O-N 3.11Å; D110-A113 PolarHBondContact OD2-N 2.93Å; D110-T114 PolarHBondContact O-N 2.88Å; D110-T114 PolarHBondContact O-OG1 2.75Å | ||
| 111 | P | 82.9 | Confident | 82.8 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.5 | -34.4 | -176.6 | -29.5 | 37 | 0 | 0 | 0 | 113.7 | F84 D109 I115 | F84-P111 HydrophobicContact CE1-CB 3.79Å; F84-P111 HydrophobicContact CE1-CG 4.25Å; F84-P111 HydrophobicContact CZ-CB 3.7Å; D109-P111 VanDerWaalsContact O-CD 3.23Å; D109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-I115 WeakPolarHBondContact O-CB 3.35Å; P111-I115 WeakPolarHBondContact O-CD1 3.3Å; P111-I115 WeakPolarHBondContact O-CG1 3.49Å; P111-I115 PolarHBondContact O-N 2.94Å; P111-I115 VanDerWaalsContact O-N 3.13Å |
| 112 | N | 86.4 | Confident | 83.2 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.4 | -40.8 | 179.3 | -60.4 | -76.6 | 0 | 0 | 0 | 111.8 | D110 I115 S116 K137 | D110-N112 PolarHBondContact O-N 3.32Å; D110-N112 VanDerWaalsContact O-N 3.15Å; D110-N112 WeakPolarHBondContact OD2-CB 3.49Å; D110-N112 PolarHBondContact OD2-N 2.89Å; N112-I115 PolarHBondContact O-N 3.41Å; N112-S116 VanDerWaalsContact O-CB 3.3Å; N112-S116 WeakPolarHBondContact O-CB 3.33Å; N112-S116 PolarHBondContact O-N 2.93Å; N112-S116 PolarHBondContact O-OG 3.47Å; N112-K137 VanDerWaalsContact CG-CE 3.49Å; N112-K137 VanDerWaalsContact CG-NZ 3.31Å; N112-K137 PolarHBondContact ND2-NZ 3.37Å; N112-K137 WeakPolarHBondContact OD1-CE 3.45Å; N112-K137 PolarHBondContact OD1-NZ 3.28Å |
| 113 | A | 86.5 | Confident | 83.3 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D110 I115 S116 N117 | D110-A113 HydrophobicContact CB-CB 3.99Å; D110-A113 PolarHBondContact O-N 3.32Å; D110-A113 VanDerWaalsContact O-N 3.11Å; D110-A113 PolarHBondContact OD2-N 2.93Å; A113-I115 PolarHBondContact O-N 3.45Å; A113-S116 WeakPolarHBondContact O-CB 3.33Å; A113-S116 PolarHBondContact O-N 3.34Å; A113-S116 VanDerWaalsContact O-N 3.16Å; A113-N117 VanDerWaalsContact O-CG 3.24Å; A113-N117 PolarHBondContact O-N 2.71Å; A113-N117 PolarHBondContact O-ND2 3.11Å |
| 114 | T | 86.9 | Confident | 83.7 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 177.1 | -58 | 0 | 0 | 0 | 0 | 112 | C88 P105 D110 S116 N117 I118 | C88-T114 HydrophobicContact CB-CG2 4.29Å; P105-T114 HydrophobicContact CB-CG2 3.64Å; P105-T114 HydrophobicContact CG-CG2 3.47Å; P105-T114 VanDerWaalsContact CG-CG2 3.47Å; D110-T114 PolarHBondContact O-N 2.88Å; D110-T114 PolarHBondContact O-OG1 2.75Å; T114-S116 VanDerWaalsContact C-N 3.3Å; T114-S116 PolarHBondContact O-N 3.32Å; T114-N117 PolarHBondContact O-N 2.88Å; T114-I118 HydrophobicContact CG2-CD1 4.08Å; T114-I118 WeakPolarHBondContact O-CG1 3.48Å; T114-I118 PolarHBondContact O-N 2.89Å |
| 115 | I | 88.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.1 | -66.4 | 163 | 0 | 0 | 0 | 110.8 | F84 P111 N112 A113 N117 I118 L119 P133 L136 K137 | F84-I115 HydrophobicContact CE2-CD1 3.67Å; F84-I115 HydrophobicContact CE2-CG1 3.82Å; F84-I115 HydrophobicContact CZ-CD1 4.02Å; F84-I115 HydrophobicContact CZ-CG1 4.06Å; P111-I115 WeakPolarHBondContact O-CB 3.35Å; P111-I115 WeakPolarHBondContact O-CD1 3.3Å; P111-I115 WeakPolarHBondContact O-CG1 3.49Å; P111-I115 PolarHBondContact O-N 2.94Å; P111-I115 VanDerWaalsContact O-N 3.13Å; N112-I115 PolarHBondContact O-N 3.41Å; A113-I115 PolarHBondContact O-N 3.45Å; I115-N117 VanDerWaalsContact C-N 3.33Å; I115-N117 PolarHBondContact O-N 3.46Å; I115-I118 PolarHBondContact O-N 2.92Å; I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.28Å; I115-L119 WeakPolarHBondContact O-CB 2.99Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 3.49Å; I115-P133 HydrophobicContact CB-CB 4.48Å; I115-P133 HydrophobicContact CG2-CB 3.76Å; I115-L136 HydrophobicContact CD1-CB 4.11Å; I115-L136 HydrophobicContact CG1-CB 4.3Å; I115-L136 HydrophobicContact CG2-CB 4.03Å; I115-L136 HydrophobicContact CG2-CD1 3.54Å; I115-L136 HydrophobicContact CG2-CG 4.36Å; I115-K137 HydrophobicContact CD1-CG 3.72Å |
| 116 | S | 88 | Confident | 83.9 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | -179.7 | -60 | 0 | 0 | 0 | 0 | 111.9 | N112 A113 T114 L119 S120 | N112-S116 VanDerWaalsContact O-CB 3.3Å; N112-S116 WeakPolarHBondContact O-CB 3.33Å; N112-S116 PolarHBondContact O-N 2.93Å; N112-S116 PolarHBondContact O-OG 3.47Å; A113-S116 WeakPolarHBondContact O-CB 3.33Å; A113-S116 PolarHBondContact O-N 3.34Å; A113-S116 VanDerWaalsContact O-N 3.16Å; T114-S116 VanDerWaalsContact C-N 3.3Å; T114-S116 PolarHBondContact O-N 3.32Å; S116-L119 PolarHBondContact O-N 3.29Å; S116-S120 PolarHBondContact O-N 3.16Å; S116-S120 PolarHBondContact O-OG 3.15Å |
| 117 | N | 88.6 | Confident | 84.3 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 175.1 | -67.3 | -16.6 | 0 | 0 | 0 | 111.7 | F102 A113 T114 I115 L119 S120 E121 | F102-N117 HydrophobicContact CE2-CB 4.04Å; F102-N117 HydrophobicContact CZ-CB 4.24Å; A113-N117 VanDerWaalsContact O-CG 3.24Å; A113-N117 PolarHBondContact O-N 2.71Å; A113-N117 PolarHBondContact O-ND2 3.11Å; T114-N117 PolarHBondContact O-N 2.88Å; I115-N117 VanDerWaalsContact C-N 3.33Å; I115-N117 PolarHBondContact O-N 3.46Å; N117-L119 VanDerWaalsContact C-N 3.33Å; N117-L119 PolarHBondContact O-N 3.06Å; N117-S120 WeakPolarHBondContact CA-OG 3.47Å; N117-S120 PolarHBondContact O-N 3.2Å; N117-S120 PolarHBondContact O-OG 3.32Å; N117-E121 WeakPolarHBondContact O-CG 3.39Å; N117-E121 PolarHBondContact O-N 3.2Å; N117-E121 VanDerWaalsContact O-N 3.07Å |
| 118 | I | 89 | Confident | 84.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.7 | -66.9 | 165.5 | 0 | 0 | 0 | 110.4 | F87 A91 I95 F102 T114 I115 E121 L122 V147 L151 | F87-I118 HydrophobicContact CE1-CD1 4.24Å; F87-I118 HydrophobicContact CZ-CD1 4.48Å; A91-I118 HydrophobicContact CB-CD1 3.85Å; A91-I118 HydrophobicContact CB-CG1 4.24Å; A91-I118 HydrophobicContact CB-CG2 4.03Å; I95-I118 HydrophobicContact CD1-CG1 4.44Å; I95-I118 HydrophobicContact CD1-CG2 4.45Å; F102-I118 HydrophobicContact CE1-CG1 4.36Å; F102-I118 HydrophobicContact CE2-CG1 4.34Å; F102-I118 HydrophobicContact CZ-CG1 3.69Å; T114-I118 HydrophobicContact CG2-CD1 4.08Å; T114-I118 WeakPolarHBondContact O-CG1 3.48Å; T114-I118 PolarHBondContact O-N 2.89Å; I115-I118 PolarHBondContact O-N 2.92Å; I118-E121 PolarHBondContact O-N 2.78Å; I118-L122 WeakPolarHBondContact O-CB 3.5Å; I118-L122 PolarHBondContact O-N 3.34Å; I118-V147 HydrophobicContact CG2-CG1 4.02Å; I118-L151 HydrophobicContact CG2-CD1 4.24Å |
| 119 | L | 88.4 | Confident | 85.1 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.9 | -27.5 | 178.5 | -70.1 | 177.5 | 0 | 0 | 0 | 113.4 | I115 S116 N117 L122 R123 A129 F131 P133 L136 V147 | I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.28Å; I115-L119 WeakPolarHBondContact O-CB 2.99Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 3.49Å; S116-L119 PolarHBondContact O-N 3.29Å; N117-L119 VanDerWaalsContact C-N 3.33Å; N117-L119 PolarHBondContact O-N 3.06Å; L119-L122 HydrophobicContact CD2-CD2 4.19Å; L119-R123 WeakPolarHBondContact O-CG 3.28Å; L119-R123 PolarHBondContact O-N 3.5Å; L119-R123 VanDerWaalsContact O-N 3.17Å; L119-R123 PolarHBondContact O-NE 2.97Å; L119-A129 HydrophobicContact CD2-CB 3.8Å; L119-F131 HydrophobicContact CD2-CE2 4.41Å; L119-F131 HydrophobicContact CD2-CZ 4.5Å; L119-P133 HydrophobicContact CD1-CB 4.5Å; L119-P133 HydrophobicContact CD1-CG 4.16Å; L119-L136 HydrophobicContact CD1-CD1 4.19Å; L119-L136 HydrophobicContact CD2-CD1 4.03Å; L119-L136 HydrophobicContact CG-CD1 4.21Å; L119-V147 HydrophobicContact CD2-CG2 4.23Å |
| 120 | S | 87.9 | Confident | 85 | Confident | 45 Ų | 45 | 57.4 Ų | 57.4 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 170.7 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | S116 N117 R123 S124 | S116-S120 PolarHBondContact O-N 3.16Å; S116-S120 PolarHBondContact O-OG 3.15Å; N117-S120 WeakPolarHBondContact CA-OG 3.47Å; N117-S120 PolarHBondContact O-N 3.2Å; N117-S120 PolarHBondContact O-OG 3.32Å; S120-R123 PolarHBondContact O-N 3Å; S120-S124 PolarHBondContact O-N 3.34Å |
| 121 | E | 87.4 | Confident | 85.1 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 175.6 | -69.1 | -55.3 | 139.6 | 0 | 0 | 111.4 | I95 R100 F102 N117 I118 R123 S124 F125 | I95-E121 HydrophobicContact CD1-CB 3.92Å; I95-E121 HydrophobicContact CD1-CG 4.25Å; I95-E121 HydrophobicContact CG1-CB 4.33Å; I95-E121 HydrophobicContact CG2-CB 4.29Å; I95-E121 HydrophobicContact CG2-CG 4.17Å; R100-E121 WeakPolarHBondContact CD-OE2 3.3Å; R100-E121 IonicContact NE-OE2 2.76Å; F102-E121 HydrophobicContact CD2-CG 3.92Å; F102-E121 HydrophobicContact CE2-CG 4.14Å; N117-E121 WeakPolarHBondContact O-CG 3.39Å; N117-E121 PolarHBondContact O-N 3.2Å; N117-E121 VanDerWaalsContact O-N 3.07Å; I118-E121 PolarHBondContact O-N 2.78Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 3.1Å; E121-S124 WeakPolarHBondContact O-CA 3.47Å; E121-S124 WeakPolarHBondContact O-CB 3.47Å; E121-S124 PolarHBondContact O-N 3.48Å; E121-S124 PolarHBondContact O-OG 3.19Å; E121-F125 WeakPolarHBondContact O-CD2 3.09Å; E121-F125 PolarHBondContact O-N 3.25Å |
| 122 | L | 87.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.8 | -43.7 | 173.7 | -169.7 | 78.5 | 0 | 0 | 0 | 112.2 | I118 L119 S124 F125 R127 A129 V147 C150 L151 | I118-L122 WeakPolarHBondContact O-CB 3.5Å; I118-L122 PolarHBondContact O-N 3.34Å; L119-L122 HydrophobicContact CD2-CD2 4.19Å; L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 3.17Å; L122-F125 PolarHBondContact O-N 2.66Å; L122-R127 HydrophobicContact CD1-CB 4.26Å; L122-R127 HydrophobicContact CG-CB 4.03Å; L122-R127 PolarHBondContact O-N 2.98Å; L122-A129 HydrophobicContact CD2-CB 3.9Å; L122-V147 HydrophobicContact CD2-CG2 4.27Å; L122-C150 HydrophobicContact CD1-CB 3.72Å; L122-L151 HydrophobicContact CD1-CD2 3.95Å; L122-L151 HydrophobicContact CD1-CG 4Å |
| 123 | R | 88.4 | Confident | 85 | Confident | 165 Ų | 165 | 54.9 Ų | 54.9 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.2 | -34 | 175.4 | -77.2 | -178.4 | -70.8 | 166.8 | -1.9 | 112.6 | L119 S120 E121 F125 G126 R127 | L119-R123 WeakPolarHBondContact O-CG 3.28Å; L119-R123 PolarHBondContact O-N 3.5Å; L119-R123 VanDerWaalsContact O-N 3.17Å; L119-R123 PolarHBondContact O-NE 2.97Å; S120-R123 PolarHBondContact O-N 3Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 3.1Å; R123-F125 PolarHBondContact O-N 3.5Å; R123-G126 PolarHBondContact O-N 3.01Å; R123-R127 WeakPolarHBondContact CA-O 3.32Å |
| 124 | S | 85.3 | Confident | 84.9 | Confident | 52 Ų | 52 | 56 Ų | 56 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -25.9 | 176.2 | 88.3 | 0 | 0 | 0 | 0 | 112.9 | R100 S120 E121 L122 G126 | R100-S124 VanDerWaalsContact CZ-OG 3.23Å; R100-S124 PolarHBondContact NE-OG 2.76Å; R100-S124 PolarHBondContact NH2-OG 2.83Å; S120-S124 PolarHBondContact O-N 3.34Å; E121-S124 WeakPolarHBondContact O-CA 3.47Å; E121-S124 WeakPolarHBondContact O-CB 3.47Å; E121-S124 PolarHBondContact O-N 3.48Å; E121-S124 PolarHBondContact O-OG 3.19Å; L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 3.17Å; S124-G126 VanDerWaalsContact C-N 3.25Å; S124-G126 PolarHBondContact O-N 3.49Å |
| 125 | F | 83.6 | Confident | 84.9 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 3.9 | 172.1 | -62 | -58.5 | 0 | 0 | 0 | 113.3 | A98 R100 E121 L122 R123 L151 E154 | A98-F125 HydrophobicContact CB-CE1 4.02Å; A98-F125 HydrophobicContact CB-CE2 4.44Å; A98-F125 HydrophobicContact CB-CZ 3.65Å; R100-F125 HydrophobicContact CB-CZ 4.45Å; R100-F125 VanDerWaalsContact CD-CZ 3.44Å; R100-F125 HydrophobicContact CG-CE1 4.05Å; R100-F125 HydrophobicContact CG-CZ 3.86Å; E121-F125 WeakPolarHBondContact O-CD2 3.09Å; E121-F125 PolarHBondContact O-N 3.25Å; L122-F125 PolarHBondContact O-N 2.66Å; R123-F125 PolarHBondContact O-N 3.5Å; F125-L151 HydrophobicContact CD2-CD2 4.15Å; F125-L151 HydrophobicContact CE2-CD2 4.06Å; F125-E154 HydrophobicContact CB-CG 4.04Å; F125-E154 HydrophobicContact CD1-CG 3.54Å; F125-E154 HydrophobicContact CD2-CG 4.38Å; F125-E154 HydrophobicContact CE1-CG 4Å; F125-E154 HydrophobicContact CG-CG 3.76Å |
| 126 | G | 79.3 | Confident | 84.8 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 68% | 0.68 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 15.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R123 S124 | R123-G126 PolarHBondContact O-N 3.01Å; S124-G126 VanDerWaalsContact C-N 3.25Å; S124-G126 PolarHBondContact O-N 3.49Å |
| 127 | R | 83.7 | Confident | 84.7 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | trans | -98.2 | 136.7 | 175 | -62.3 | -66.8 | -162.7 | -176.4 | 6.8 | 110.4 | L122 R123 C150 E153 | L122-R127 HydrophobicContact CD1-CB 4.26Å; L122-R127 HydrophobicContact CG-CB 4.03Å; L122-R127 PolarHBondContact O-N 2.98Å; R123-R127 WeakPolarHBondContact CA-O 3.32Å; R127-C150 HydrophobicContact CG-CB 4.29Å; R127-E153 IonicContact CZ-OE2 2.76Å; R127-E153 IonicContact NH2-OE2 3.25Å; R127-E153 PolarHBondContact NH2-OE2 3.46Å | ||
| 128 | T | 77.6 | Confident | 84.5 | Confident | 113 Ų | 113 | 60.2 Ų | 60.2 | 69% | 0.693 | 34% | 0.335 | S | S | * | . | trans | -101.2 | 123.7 | -178.9 | 53 | 0 | 0 | 0 | 0 | 111.2 | Y146 | T128-Y146 PolarHBondContact O-OH 2.94Š| ||
| 129 | A | 79.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 24% | 0.24 | 34% | 0.335 | C | S | . | . | trans | -105.7 | 102.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | L119 L122 F131 | L119-A129 HydrophobicContact CD2-CB 3.8Å; L122-A129 HydrophobicContact CD2-CB 3.9Å; A129-F131 VanDerWaalsContact C-N 3.34Å; A129-F131 HydrophobicContact CB-CD1 4.25Å; A129-F131 HydrophobicContact CB-CE1 3.65Å; A129-F131 HydrophobicContact CB-CE2 4.38Å; A129-F131 HydrophobicContact CB-CZ 3.72Å; A129-F131 PolarHBondContact O-N 3.33Å | ||
| 130 | D | 77.5 | Confident | 84.2 | Confident | 165 Ų | 165 | 63.1 Ų | 63.1 | 88% | 0.882 | 35% | 0.346 | S | S | * | . | trans | -93.4 | 62.3 | 179.7 | -168.2 | 21 | 0 | 0 | 0 | 111.3 | ||||
| 131 | F | 84.7 | Confident | 84.2 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -156.9 | 153.2 | 175.9 | 52.2 | -95.5 | 0 | 0 | 0 | 111.1 | L119 A129 K135 L136 H143 Y146 V147 | L119-F131 HydrophobicContact CD2-CE2 4.41Å; L119-F131 HydrophobicContact CD2-CZ 4.5Å; A129-F131 VanDerWaalsContact C-N 3.34Å; A129-F131 HydrophobicContact CB-CD1 4.25Å; A129-F131 HydrophobicContact CB-CE1 3.65Å; A129-F131 HydrophobicContact CB-CE2 4.38Å; A129-F131 HydrophobicContact CB-CZ 3.72Å; A129-F131 PolarHBondContact O-N 3.33Å; F131-K135 HydrophobicContact CD2-CB 4.41Å; F131-L136 HydrophobicContact CE2-CD1 3.83Å; F131-L136 HydrophobicContact CE2-CD2 4.03Å; F131-L136 HydrophobicContact CE2-CG 3.86Å; F131-H143 AromaticContact CD1-CD2 3.51Å; F131-H143 HydrophobicContact CD2-CB 4.23Å; F131-H143 AromaticContact CD2-CD2 3.94Å; F131-H143 HydrophobicContact CE1-CB 4.35Å; F131-H143 AromaticContact CE1-CD2 3.98Å; F131-H143 HydrophobicContact CE2-CB 3.96Å; F131-H143 AromaticContact CG-CD2 3.47Å; F131-H143 VanDerWaalsContact CG-CD2 3.47Å; F131-H143 WeakPolarHBondContact CG-CD2 3.46Å; F131-H143 HydrophobicContact CZ-CB 4.01Å; F131-Y146 HydrophobicContact CE1-CD1 4.11Å; F131-Y146 HydrophobicContact CE1-CE1 4.49Å; F131-V147 HydrophobicContact CE2-CG2 4.44Å; F131-V147 HydrophobicContact CZ-CG2 3.73Å |
| 132 | P | 83.6 | Confident | 84.3 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | trans | -72.3 | 147.2 | -178 | 27.2 | -32.6 | 0 | 0 | 0 | 112 | S134 K135 | P132-S134 PolarHBondContact O-N 3.28Å; P132-K135 HydrophobicContact CG-CG 3.99Å; P132-K135 WeakPolarHBondContact O-CB 3.41Å; P132-K135 PolarHBondContact O-N 3.17Å | ||
| 133 | P | 83.9 | Confident | 84.3 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 29% | 0.292 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -53.3 | -26 | 177.5 | -29.3 | 35.7 | 0 | 0 | 0 | 114.6 | I115 L119 K135 L136 | I115-P133 HydrophobicContact CB-CB 4.48Å; I115-P133 HydrophobicContact CG2-CB 3.76Å; L119-P133 HydrophobicContact CD1-CB 4.5Å; L119-P133 HydrophobicContact CD1-CG 4.16Å; P133-K135 PolarHBondContact O-N 3.3Å; P133-L136 PolarHBondContact O-N 3.27Å; P133-L136 VanDerWaalsContact O-N 3.16Å |
| 134 | S | 85.1 | Confident | 84.4 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -58.9 | -25.9 | 177 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | P132 L136 K137 | P132-S134 PolarHBondContact O-N 3.28Å; S134-L136 VanDerWaalsContact C-N 3.29Å; S134-L136 PolarHBondContact O-N 3.34Å; S134-K137 PolarHBondContact O-N 3.29Å |
| 135 | K | 86.1 | Confident | 84.6 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -74.1 | -15.9 | 179.6 | -66.8 | -72.6 | -174 | 173 | 0 | 113.9 | F131 P132 P133 S138 | F131-K135 HydrophobicContact CD2-CB 4.41Å; P132-K135 HydrophobicContact CG-CG 3.99Å; P132-K135 WeakPolarHBondContact O-CB 3.41Å; P132-K135 PolarHBondContact O-N 3.17Å; P133-K135 PolarHBondContact O-N 3.3Å; K135-S138 PolarHBondContact O-OG 3.24Å |
| 136 | L | 86.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -94.7 | -12.4 | 178.3 | -64.9 | 173.3 | 0 | 0 | 0 | 112.9 | F87 I115 L119 F131 P133 S134 S138 G139 H143 V144 V147 | F87-L136 HydrophobicContact CE1-CB 4.32Å; F87-L136 HydrophobicContact CZ-CD1 4.17Å; F87-L136 HydrophobicContact CZ-CD2 4.29Å; I115-L136 HydrophobicContact CD1-CB 4.11Å; I115-L136 HydrophobicContact CG1-CB 4.3Å; I115-L136 HydrophobicContact CG2-CB 4.03Å; I115-L136 HydrophobicContact CG2-CD1 3.54Å; I115-L136 HydrophobicContact CG2-CG 4.36Å; L119-L136 HydrophobicContact CD1-CD1 4.19Å; L119-L136 HydrophobicContact CD2-CD1 4.03Å; L119-L136 HydrophobicContact CG-CD1 4.21Å; F131-L136 HydrophobicContact CE2-CD1 3.83Å; F131-L136 HydrophobicContact CE2-CD2 4.03Å; F131-L136 HydrophobicContact CE2-CG 3.86Å; P133-L136 PolarHBondContact O-N 3.27Å; P133-L136 VanDerWaalsContact O-N 3.16Å; S134-L136 VanDerWaalsContact C-N 3.29Å; S134-L136 PolarHBondContact O-N 3.34Å; L136-S138 PolarHBondContact O-N 3.34Å; L136-G139 PolarHBondContact O-N 3.07Å; L136-G139 VanDerWaalsContact O-N 3.08Å; L136-H143 HydrophobicContact CD2-CB 3.88Å; L136-V144 HydrophobicContact CD2-CB 4.3Å; L136-V144 HydrophobicContact CD2-CG2 3.64Å; L136-V147 HydrophobicContact CD1-CG2 4.3Å; L136-V147 HydrophobicContact CD2-CG2 4.25Å |
| 137 | K | 86.3 | Confident | 85.4 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -27.1 | -179.1 | -73 | -171.4 | 175.5 | -175.2 | 0 | 114.3 | N112 I115 S134 G139 | N112-K137 VanDerWaalsContact CG-CE 3.49Å; N112-K137 VanDerWaalsContact CG-NZ 3.31Å; N112-K137 PolarHBondContact ND2-NZ 3.37Å; N112-K137 WeakPolarHBondContact OD1-CE 3.45Å; N112-K137 PolarHBondContact OD1-NZ 3.28Å; I115-K137 HydrophobicContact CD1-CG 3.72Å; S134-K137 PolarHBondContact O-N 3.29Å; K137-G139 PolarHBondContact O-N 3.45Å |
| 138 | S | 84.4 | Confident | 85.7 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.3 | 176.2 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | P80 K135 L136 Y140 | P80-S138 WeakPolarHBondContact CA-O 3.35Å; K135-S138 PolarHBondContact O-OG 3.24Å; L136-S138 PolarHBondContact O-N 3.34Å; S138-Y140 WeakPolarHBondContact O-CD1 3.35Å; S138-Y140 WeakPolarHBondContact O-CE1 3.47Å; S138-Y140 PolarHBondContact O-N 2.92Å; S138-Y140 VanDerWaalsContact O-N 3.15Å; S138-Y140 PolarHBondContact OG-O 3.31Å |
| 139 | G | 83.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 71.7 | -2.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F74 Q83 L136 K137 | F74-G139 WeakPolarHBondContact CD1-O 3.39Å; Q83-G139 WeakPolarHBondContact CB-O 3.22Å; L136-G139 PolarHBondContact O-N 3.07Å; L136-G139 VanDerWaalsContact O-N 3.08Å; K137-G139 PolarHBondContact O-N 3.45Å |
| 140 | Y | 87.2 | Confident | 86.9 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | trans | -139.5 | 157 | 176.4 | 66.2 | -91.9 | 0 | 0 | 0 | 110.6 | F74 P77 P80 S138 | F74-Y140 CarbonylContact O-C 3.59Å; F74-Y140 WeakPolarHBondContact O-CA 3.11Å; F74-Y140 WeakPolarHBondContact O-CB 3.44Å; P77-Y140 HydrophobicContact CB-CD1 4.14Å; P77-Y140 HydrophobicContact CB-CD2 4.04Å; P77-Y140 HydrophobicContact CB-CE1 3.88Å; P77-Y140 HydrophobicContact CB-CE2 3.75Å; P77-Y140 HydrophobicContact CB-CG 4.25Å; P77-Y140 HydrophobicContact CG-CE2 4.3Å; P80-Y140 HydrophobicContact CB-CE1 4.21Å; P80-Y140 HydrophobicContact CG-CE1 3.96Å; S138-Y140 WeakPolarHBondContact O-CD1 3.35Å; S138-Y140 WeakPolarHBondContact O-CE1 3.47Å; S138-Y140 PolarHBondContact O-N 2.92Å; S138-Y140 VanDerWaalsContact O-N 3.15Å; S138-Y140 PolarHBondContact OG-O 3.31Å | ||
| 141 | G | 88.3 | Confident | 87.4 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 119.5 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M40 F74 H143 V144 C145 | M40-G141 VanDerWaalsContact SD-CA 3.59Å; F74-G141 PolarHBondContact O-N 3.28Å; G141-H143 VanDerWaalsContact C-N 3.32Å; G141-H143 PolarHBondContact O-N 3.3Å; G141-V144 WeakPolarHBondContact O-CB 2.76Å; G141-V144 PolarHBondContact O-N 2.91Å; G141-C145 PolarHBondContact O-N 3.4Å; G141-C145 VanDerWaalsContact O-N 3.15Å |
| 142 | E | 88.3 | Confident | 87.7 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.7 | -43.8 | -173.3 | -176.1 | -178 | 169.8 | 0 | 0 | 113 | R32 M40 V144 C145 Y146 | R32-E142 IonicContact CZ-OE1 3.29Å; R32-E142 VanDerWaalsContact CZ-OE1 3.25Å; R32-E142 IonicContact CZ-OE2 2.99Å; R32-E142 VanDerWaalsContact NH1-CD 3.27Å; R32-E142 IonicContact NH1-OE1 3.45Å; R32-E142 PolarHBondContact NH1-OE1 2.83Å; R32-E142 IonicContact NH1-OE2 2.93Å; R32-E142 PolarHBondContact NH1-OE2 3.15Å; R32-E142 IonicContact NH2-OE1 3.94Å; R32-E142 PolarHBondContact NH2-OE1 2.94Å; R32-E142 IonicContact NH2-OE2 3.54Å; M40-E142 HydrophobicContact SD-CB 4.28Å; M40-E142 PolarHBondContact SD-N 3.46Å; E142-V144 VanDerWaalsContact C-N 3.31Å; E142-V144 PolarHBondContact O-N 3.5Å; E142-C145 PolarHBondContact O-N 2.88Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.35Å |
| 143 | H | 89.2 | Confident | 87.9 | Confident | 61 Ų | 61 | 34.5 Ų | 34.5 | 28% | 0.282 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64 | -35.9 | -179.8 | -51.9 | 89.7 | 0 | 0 | 0 | 112.4 | F131 L136 G141 V147 | F131-H143 AromaticContact CD1-CD2 3.51Å; F131-H143 HydrophobicContact CD2-CB 4.23Å; F131-H143 AromaticContact CD2-CD2 3.94Å; F131-H143 HydrophobicContact CE1-CB 4.35Å; F131-H143 AromaticContact CE1-CD2 3.98Å; F131-H143 HydrophobicContact CE2-CB 3.96Å; F131-H143 AromaticContact CG-CD2 3.47Å; F131-H143 VanDerWaalsContact CG-CD2 3.47Å; F131-H143 WeakPolarHBondContact CG-CD2 3.46Å; F131-H143 HydrophobicContact CZ-CB 4.01Å; L136-H143 HydrophobicContact CD2-CB 3.88Å; G141-H143 VanDerWaalsContact C-N 3.32Å; G141-H143 PolarHBondContact O-N 3.3Å; H143-V147 VanDerWaalsContact O-CG2 3.31Å; H143-V147 WeakPolarHBondContact O-CG2 3.32Å; H143-V147 PolarHBondContact O-N 2.96Å; H143-V147 VanDerWaalsContact O-N 3.16Å |
| 144 | V | 89.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.3 | -47.3 | 178.6 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | F74 F87 L136 G141 E142 Y146 V147 L148 | F74-V144 HydrophobicContact CB-CG1 4.4Å; F74-V144 HydrophobicContact CD1-CG1 3.91Å; F74-V144 HydrophobicContact CG-CG1 4.33Å; F87-V144 HydrophobicContact CB-CG1 4.27Å; F87-V144 HydrophobicContact CD2-CG1 3.54Å; F87-V144 HydrophobicContact CE2-CG1 4.09Å; F87-V144 HydrophobicContact CG-CG1 4.01Å; L136-V144 HydrophobicContact CD2-CB 4.3Å; L136-V144 HydrophobicContact CD2-CG2 3.64Å; G141-V144 WeakPolarHBondContact O-CB 2.76Å; G141-V144 PolarHBondContact O-N 2.91Å; E142-V144 VanDerWaalsContact C-N 3.31Å; E142-V144 PolarHBondContact O-N 3.5Å; V144-Y146 VanDerWaalsContact C-N 3.34Å; V144-Y146 PolarHBondContact O-N 2.92Å; V144-V147 PolarHBondContact O-N 2.81Å; V144-L148 HydrophobicContact CG1-CD1 4.2Å; V144-L148 WeakPolarHBondContact O-CG 3.29Å; V144-L148 PolarHBondContact O-N 3.4Å; V144-L148 VanDerWaalsContact O-N 3.14Å |
| 145 | C | 89.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.5 | -64 | 0 | 0 | 0 | 0 | 111.5 | V43 G141 E142 V147 L148 D149 | V43-C145 HydrophobicContact CG1-CB 3.96Å; G141-C145 PolarHBondContact O-N 3.4Å; G141-C145 VanDerWaalsContact O-N 3.15Å; E142-C145 PolarHBondContact O-N 2.88Å; C145-V147 PolarHBondContact O-N 3Å; C145-L148 PolarHBondContact O-N 3.13Å; C145-D149 WeakPolarHBondContact O-CB 3.23Å; C145-D149 PolarHBondContact O-N 3.16Å |
| 146 | Y | 89.5 | Confident | 88.2 | Confident | 82 Ų | 82 | 26.9 Ų | 26.9 | 32% | 0.322 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.7 | -46 | 179 | 174.3 | -101.1 | 0 | 0 | 0 | 113.1 | T128 F131 E142 V144 D149 C150 | T128-Y146 PolarHBondContact O-OH 2.94Å; F131-Y146 HydrophobicContact CE1-CD1 4.11Å; F131-Y146 HydrophobicContact CE1-CE1 4.49Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.35Å; V144-Y146 VanDerWaalsContact C-N 3.34Å; V144-Y146 PolarHBondContact O-N 2.92Å; Y146-D149 PolarHBondContact O-N 2.79Å; Y146-C150 VanDerWaalsContact CZ-SG 3.6Å; Y146-C150 WeakPolarHBondContact O-CB 3.46Å; Y146-C150 PolarHBondContact O-N 3.41Å; Y146-C150 PolarHBondContact O-SG 2.81Å |
| 147 | V | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -47.2 | -179.8 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | F87 I118 L119 L122 F131 L136 H143 V144 C145 D149 C150 L151 | F87-V147 HydrophobicContact CE2-CB 4.31Å; F87-V147 HydrophobicContact CE2-CG1 4.07Å; F87-V147 HydrophobicContact CZ-CG1 4.2Å; I118-V147 HydrophobicContact CG2-CG1 4.02Å; L119-V147 HydrophobicContact CD2-CG2 4.23Å; L122-V147 HydrophobicContact CD2-CG2 4.27Å; F131-V147 HydrophobicContact CE2-CG2 4.44Å; F131-V147 HydrophobicContact CZ-CG2 3.73Å; L136-V147 HydrophobicContact CD1-CG2 4.3Å; L136-V147 HydrophobicContact CD2-CG2 4.25Å; H143-V147 VanDerWaalsContact O-CG2 3.31Å; H143-V147 WeakPolarHBondContact O-CG2 3.32Å; H143-V147 PolarHBondContact O-N 2.96Å; H143-V147 VanDerWaalsContact O-N 3.16Å; V144-V147 PolarHBondContact O-N 2.81Å; C145-V147 PolarHBondContact O-N 3Å; V147-D149 VanDerWaalsContact C-N 3.33Å; V147-D149 PolarHBondContact O-N 3.18Å; V147-C150 PolarHBondContact O-N 3.08Å; V147-L151 HydrophobicContact CG1-CD1 4.02Å; V147-L151 VanDerWaalsContact O-CG 3.29Å; V147-L151 WeakPolarHBondContact O-CG 3.25Å; V147-L151 PolarHBondContact O-N 3.34Å; V147-L151 VanDerWaalsContact O-N 3.07Å |
| 148 | L | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 178.9 | -70.7 | 175.5 | 0 | 0 | 0 | 111.9 | L47 F74 F87 L90 A91 L94 V144 C145 L151 A152 | L47-L148 HydrophobicContact CD1-CB 3.96Å; L47-L148 HydrophobicContact CD2-CB 3.57Å; L47-L148 HydrophobicContact CD2-CD1 3.98Å; L47-L148 HydrophobicContact CD2-CG 4.45Å; L47-L148 HydrophobicContact CG-CB 4.44Å; F74-L148 HydrophobicContact CD1-CD1 4.45Å; F74-L148 HydrophobicContact CD2-CD1 3.84Å; F74-L148 HydrophobicContact CE1-CD1 4.34Å; F74-L148 HydrophobicContact CE2-CD1 3.73Å; F74-L148 HydrophobicContact CG-CD1 4.22Å; F74-L148 HydrophobicContact CZ-CD1 3.98Å; F87-L148 HydrophobicContact CD2-CD1 3.98Å; F87-L148 HydrophobicContact CD2-CD2 3.84Å; F87-L148 HydrophobicContact CD2-CG 3.79Å; F87-L148 HydrophobicContact CE2-CD2 4.1Å; F87-L148 HydrophobicContact CE2-CG 4.03Å; L90-L148 HydrophobicContact CB-CD2 4.28Å; L90-L148 HydrophobicContact CD2-CD1 3.97Å; L90-L148 HydrophobicContact CD2-CD2 4Å; L90-L148 HydrophobicContact CG-CD2 4.07Å; A91-L148 HydrophobicContact CB-CD2 4.11Å; L94-L148 HydrophobicContact CD1-CD2 4.19Å; V144-L148 HydrophobicContact CG1-CD1 4.2Å; V144-L148 WeakPolarHBondContact O-CG 3.29Å; V144-L148 PolarHBondContact O-N 3.4Å; V144-L148 VanDerWaalsContact O-N 3.14Å; C145-L148 PolarHBondContact O-N 3.13Å; L148-L151 PolarHBondContact O-N 3.33Å; L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 2.69Å |
| 149 | D | 90.5 | Very high | 88.1 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 178 | -173.6 | 56.6 | 0 | 0 | 0 | 111.8 | V43 K50 C145 Y146 V147 L151 A152 E153 | V43-D149 HydrophobicContact CG1-CB 3.95Å; K50-D149 WeakPolarHBondContact CD-OD1 3.33Å; K50-D149 IonicContact NZ-OD1 2.98Å; K50-D149 PolarHBondContact NZ-OD1 3.3Å; K50-D149 IonicContact NZ-OD2 3.52Å; K50-D149 PolarHBondContact NZ-OD2 2.83Å; C145-D149 WeakPolarHBondContact O-CB 3.23Å; C145-D149 PolarHBondContact O-N 3.16Å; Y146-D149 PolarHBondContact O-N 2.79Å; V147-D149 VanDerWaalsContact C-N 3.33Å; V147-D149 PolarHBondContact O-N 3.18Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 3.04Å; D149-A152 PolarHBondContact O-N 2.73Å; D149-E153 WeakPolarHBondContact O-CG 3.5Å; D149-E153 PolarHBondContact O-N 3.29Å |
| 150 | C | 89.6 | Confident | 87.9 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 175.8 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | L122 R127 Y146 V147 E154 | L122-C150 HydrophobicContact CD1-CB 3.72Å; R127-C150 HydrophobicContact CG-CB 4.29Å; Y146-C150 VanDerWaalsContact CZ-SG 3.6Å; Y146-C150 WeakPolarHBondContact O-CB 3.46Å; Y146-C150 PolarHBondContact O-N 3.41Å; Y146-C150 PolarHBondContact O-SG 2.81Å; V147-C150 PolarHBondContact O-N 3.08Å; C150-E154 PolarHBondContact O-N 3.15Å; C150-E154 VanDerWaalsContact O-N 3.17Å |
| 151 | L | 89.4 | Confident | 87.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.5 | -37.9 | 177.2 | -70.4 | 174.2 | 0 | 0 | 0 | 111.8 | A91 L94 I95 I118 L122 F125 V147 L148 D149 E154 A155 | A91-L151 HydrophobicContact CB-CD1 3.89Å; L94-L151 HydrophobicContact CB-CB 3.89Å; L94-L151 HydrophobicContact CD1-CB 3.91Å; I95-L151 HydrophobicContact CD1-CD1 4.4Å; I95-L151 HydrophobicContact CD1-CD2 4.45Å; I95-L151 HydrophobicContact CG1-CD1 4.2Å; I95-L151 HydrophobicContact CG1-CD2 3.74Å; I118-L151 HydrophobicContact CG2-CD1 4.24Å; L122-L151 HydrophobicContact CD1-CD2 3.95Å; L122-L151 HydrophobicContact CD1-CG 4Å; F125-L151 HydrophobicContact CD2-CD2 4.15Å; F125-L151 HydrophobicContact CE2-CD2 4.06Å; V147-L151 HydrophobicContact CG1-CD1 4.02Å; V147-L151 VanDerWaalsContact O-CG 3.29Å; V147-L151 WeakPolarHBondContact O-CG 3.25Å; V147-L151 PolarHBondContact O-N 3.34Å; V147-L151 VanDerWaalsContact O-N 3.07Å; L148-L151 PolarHBondContact O-N 3.33Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 3.04Å; L151-E154 PolarHBondContact O-N 2.89Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 2.9Å |
| 152 | A | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L47 K50 L54 L94 L148 D149 E154 A155 L156 | L47-A152 HydrophobicContact CD1-CB 3.87Å; K50-A152 HydrophobicContact CB-CB 4.09Å; K50-A152 HydrophobicContact CD-CB 4.47Å; L54-A152 HydrophobicContact CD1-CB 4.39Å; L94-A152 HydrophobicContact CD1-CB 4.24Å; L94-A152 HydrophobicContact CD2-CB 4.23Å; L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 2.69Å; D149-A152 PolarHBondContact O-N 2.73Å; A152-E154 VanDerWaalsContact C-N 3.34Å; A152-E154 PolarHBondContact O-N 3.39Å; A152-A155 PolarHBondContact O-N 2.94Å; A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.01Å |
| 153 | E | 89.6 | Confident | 86.2 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 173.1 | -74.1 | -175.8 | 171 | 0 | 0 | 112.3 | K50 R127 D149 L156 K157 | K50-E153 HydrophobicContact CD-CG 4.11Å; K50-E153 IonicContact NZ-OE1 2.68Å; K50-E153 PolarHBondContact NZ-OE1 3.15Å; R127-E153 IonicContact CZ-OE2 2.76Å; R127-E153 IonicContact NH2-OE2 3.25Å; R127-E153 PolarHBondContact NH2-OE2 3.46Å; D149-E153 WeakPolarHBondContact O-CG 3.5Å; D149-E153 PolarHBondContact O-N 3.29Å; E153-L156 PolarHBondContact O-N 2.99Å; E153-K157 WeakPolarHBondContact O-CG 3.31Å; E153-K157 PolarHBondContact O-N 2.91Å |
| 154 | E | 87.5 | Confident | 85.4 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 20% | 0.201 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -37.1 | -179.3 | -157.7 | 59.9 | -154.7 | 0 | 0 | 111.9 | F125 C150 L151 A152 K157 Y158 | F125-E154 HydrophobicContact CB-CG 4.04Å; F125-E154 HydrophobicContact CD1-CG 3.54Å; F125-E154 HydrophobicContact CD2-CG 4.38Å; F125-E154 HydrophobicContact CE1-CG 4Å; F125-E154 HydrophobicContact CG-CG 3.76Å; C150-E154 PolarHBondContact O-N 3.15Å; C150-E154 VanDerWaalsContact O-N 3.17Å; L151-E154 PolarHBondContact O-N 2.89Å; A152-E154 VanDerWaalsContact C-N 3.34Å; A152-E154 PolarHBondContact O-N 3.39Å; E154-K157 PolarHBondContact O-N 3.34Å; E154-K157 WeakPolarHBondContact OE2-CD 3.47Å; E154-K157 IonicContact OE2-NZ 3.36Å; E154-K157 PolarHBondContact OE2-NZ 3.18Å; E154-Y158 WeakPolarHBondContact O-CB 3.49Å; E154-Y158 PolarHBondContact O-N 3.1Å |
| 155 | A | 87.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L54 L94 K97 A98 L151 A152 Y158 I159 | L54-A155 HydrophobicContact CD1-CB 4Å; L54-A155 HydrophobicContact CD2-CB 4.21Å; L94-A155 HydrophobicContact CD2-CB 4.32Å; K97-A155 HydrophobicContact CB-CB 4.04Å; A98-A155 HydrophobicContact CB-CB 4.46Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 2.9Å; A152-A155 PolarHBondContact O-N 2.94Å; A155-Y158 PolarHBondContact O-N 3Å; A155-I159 WeakPolarHBondContact O-CD1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.29Å; A155-I159 PolarHBondContact O-N 3.38Å |
| 156 | L | 86.6 | Confident | 83.1 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.5 | -77.5 | 170 | 0 | 0 | 0 | 112.6 | K50 L53 L54 A152 E153 I159 G160 F161 | K50-L156 HydrophobicContact CB-CD1 3.76Å; K50-L156 HydrophobicContact CD-CD1 4.46Å; K50-L156 HydrophobicContact CG-CD1 3.72Å; L53-L156 HydrophobicContact CB-CD2 3.92Å; L54-L156 HydrophobicContact CD1-CG 4.28Å; L54-L156 HydrophobicContact CD2-CD2 3.52Å; L54-L156 HydrophobicContact CD2-CG 3.82Å; L54-L156 HydrophobicContact CG-CD2 3.75Å; L54-L156 HydrophobicContact CG-CG 3.96Å; A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.01Å; E153-L156 PolarHBondContact O-N 2.99Å; L156-I159 PolarHBondContact O-N 2.88Å; L156-G160 PolarHBondContact O-N 3.48Å; L156-G160 VanDerWaalsContact O-N 3.14Å; L156-F161 HydrophobicContact CD2-CB 3.96Å; L156-F161 HydrophobicContact CD2-CG 4.19Å; L156-F161 PolarHBondContact O-N 3.25Å; L156-F161 VanDerWaalsContact O-N 3.15Å |
| 157 | K | 86 | Confident | 81.8 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173.8 | -73 | 179.8 | -153.9 | 156.7 | 0 | 111.5 | E153 E154 I159 G160 | E153-K157 WeakPolarHBondContact O-CG 3.31Å; E153-K157 PolarHBondContact O-N 2.91Å; E154-K157 PolarHBondContact O-N 3.34Å; E154-K157 WeakPolarHBondContact OE2-CD 3.47Å; E154-K157 IonicContact OE2-NZ 3.36Å; E154-K157 PolarHBondContact OE2-NZ 3.18Å; K157-I159 VanDerWaalsContact C-N 3.32Å; K157-I159 PolarHBondContact O-N 2.98Å; K157-G160 PolarHBondContact O-N 3.47Å |
| 158 | Y | 85.9 | Confident | 80.5 | Confident | 158 Ų | 158 | 85.3 Ų | 85.3 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.7 | -38 | 179 | -175 | -98 | 0 | 0 | 0 | 112.4 | K97 E154 A155 G160 | K97-Y158 VanDerWaalsContact O-CD1 3.25Å; K97-Y158 WeakPolarHBondContact O-CD1 3.42Å; E154-Y158 WeakPolarHBondContact O-CB 3.49Å; E154-Y158 PolarHBondContact O-N 3.1Å; A155-Y158 PolarHBondContact O-N 3Å; Y158-G160 PolarHBondContact O-N 2.92Å |
| 159 | I | 83.4 | Confident | 79.3 | Confident | 90 Ų | 90 | 90.9 Ų | 90.9 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72 | -14.5 | 175.5 | -70.1 | 161.4 | 0 | 0 | 0 | 112 | L54 A155 L156 K157 | L54-I159 HydrophobicContact CD2-CD1 3.27Å; A155-I159 WeakPolarHBondContact O-CD1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.29Å; A155-I159 PolarHBondContact O-N 3.38Å; L156-I159 PolarHBondContact O-N 2.88Å; K157-I159 VanDerWaalsContact C-N 3.32Å; K157-I159 PolarHBondContact O-N 2.98Å |
| 160 | G | 79.2 | Confident | 77.9 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 36.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L156 K157 Y158 T162 | L156-G160 PolarHBondContact O-N 3.48Å; L156-G160 VanDerWaalsContact O-N 3.14Å; K157-G160 PolarHBondContact O-N 3.47Å; Y158-G160 PolarHBondContact O-N 2.92Å; G160-T162 PolarHBondContact O-N 2.91Å |
| 161 | F | 78.7 | Confident | 76 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 35% | 0.346 | 50% | 0.504 | S | S | . | . | trans | -62.1 | 123.4 | -179.8 | 178.2 | -94.9 | 0 | 0 | 0 | 110.8 | L53 L156 W163 | L53-F161 HydrophobicContact CD1-CD1 4.39Å; L53-F161 HydrophobicContact CD1-CE1 3.84Å; L53-F161 HydrophobicContact CD1-CE2 4.47Å; L53-F161 HydrophobicContact CD1-CZ 3.89Å; L53-F161 HydrophobicContact CD2-CE1 4.46Å; L53-F161 HydrophobicContact CD2-CE2 3.89Å; L53-F161 HydrophobicContact CD2-CZ 3.66Å; L53-F161 HydrophobicContact CG-CZ 4.29Å; L156-F161 HydrophobicContact CD2-CB 3.96Å; L156-F161 HydrophobicContact CD2-CG 4.19Å; L156-F161 PolarHBondContact O-N 3.25Å; L156-F161 VanDerWaalsContact O-N 3.15Å; F161-W163 AromaticContact CE1-CD2 3.87Å; F161-W163 HydrophobicContact CE1-CD2 3.87Å; F161-W163 AromaticContact CE1-CE2 3.97Å; F161-W163 HydrophobicContact CE1-CE3 4.13Å; F161-W163 HydrophobicContact CE1-CG 4.24Å; F161-W163 HydrophobicContact CE1-CZ2 4.33Å; F161-W163 HydrophobicContact CE1-CZ3 4.47Å; F161-W163 HydrophobicContact CZ-CD2 4.39Å; F161-W163 HydrophobicContact CZ-CE3 4.22Å; F161-W163 HydrophobicContact CZ-CZ3 4.5Å | ||
| 162 | T | 74.5 | Confident | 73.9 | Confident | 104 Ų | 104 | 113 Ų | 113 | 64% | 0.638 | 55% | 0.545 | S | S | * | . | trans | -118.3 | 135.2 | 171.3 | 57.9 | 0 | 0 | 0 | 0 | 109.4 | G160 K164 | G160-T162 PolarHBondContact O-N 2.91Å; T162-K164 PolarHBondContact O-N 3.41Å | ||
| 163 | W | 74.9 | Confident | 71.9 | Confident | 208 Ų | 208 | 120.5 Ų | 120.5 | 79% | 0.788 | 58% | 0.584 | S | S | * | * | trans | -56.8 | 112.1 | 171.6 | -66.1 | 100.7 | 0 | 0 | 0 | 109.9 | L53 F161 | L53-W163 HydrophobicContact CD1-CH2 4.24Å; F161-W163 AromaticContact CE1-CD2 3.87Å; F161-W163 HydrophobicContact CE1-CD2 3.87Å; F161-W163 AromaticContact CE1-CE2 3.97Å; F161-W163 HydrophobicContact CE1-CE3 4.13Å; F161-W163 HydrophobicContact CE1-CG 4.24Å; F161-W163 HydrophobicContact CE1-CZ2 4.33Å; F161-W163 HydrophobicContact CE1-CZ3 4.47Å; F161-W163 HydrophobicContact CZ-CD2 4.39Å; F161-W163 HydrophobicContact CZ-CE3 4.22Å; F161-W163 HydrophobicContact CZ-CZ3 4.5Å | ||
| 164 | K | 70.6 | Confident | 69.6 | Low | 177 Ų | 177 | 126.8 Ų | 126.8 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 145.5 | 170 | -65.7 | -175.3 | 179.7 | -179.1 | 0 | 108 | T162 | T162-K164 PolarHBondContact O-N 3.41Š|
| 165 | R | 68.2 | Low | 67.3 | Low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.4 | 172.1 | -70 | -173.7 | 178.2 | -160.4 | -0.4 | 108.5 | I167 | R165-I167 PolarHBondContact O-N 3.09Š|
| 166 | P | 64.3 | Low | 65 | Low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 118.5 | 175.4 | -25.9 | 33.9 | 0 | 0 | 0 | 109.5 | Y168 | P166-Y168 HydrophobicContact CB-CE2 4.4Å; P166-Y168 PolarHBondContact O-N 3.36Å |
| 167 | I | 61 | Low | 62.8 | Low | 154 Ų | 154 | 147.3 Ų | 147.3 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -85.6 | 99.3 | 169.5 | -58.5 | 172.1 | 0 | 0 | 0 | 103.9 | R165 | R165-I167 PolarHBondContact O-N 3.09Š| ||
| 168 | Y | 64.4 | Low | 60.5 | Low | 189 Ų | 189 | 147.7 Ų | 147.7 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -59.1 | 130.3 | 168.2 | -63.8 | -82 | 0 | 0 | 0 | 106.9 | P166 V170 | P166-Y168 HydrophobicContact CB-CE2 4.4Å; P166-Y168 PolarHBondContact O-N 3.36Å; Y168-V170 PolarHBondContact O-N 2.91Å | ||
| 169 | P | 63.8 | Low | 58.4 | Low | 117 Ų | 117 | 144.2 Ų | 144.2 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -53.2 | 116.1 | 168.2 | -17.8 | 29.2 | 0 | 0 | 0 | 106.2 | E171 | P169-E171 PolarHBondContact O-N 3.26Å; P169-E171 VanDerWaalsContact O-N 3.11Å | ||
| 170 | V | 61.2 | Low | 56.5 | Low | 132 Ų | 132 | 149.3 Ų | 149.3 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -61.9 | 115.9 | 159.5 | -178.3 | 0 | 0 | 0 | 0 | 102.5 | Y168 E172 | Y168-V170 PolarHBondContact O-N 2.91Å; V170-E172 PolarHBondContact O-N 3.02Å | ||
| 171 | E | 50.5 | Low | 54.4 | Low | 169 Ų | 169 | 154.4 Ų | 154.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -47.4 | 117.4 | 168.1 | -74.9 | 177.4 | 153.8 | 0 | 0 | 105.7 | P169 L173 | P169-E171 PolarHBondContact O-N 3.26Å; P169-E171 VanDerWaalsContact O-N 3.11Å; E171-L173 PolarHBondContact O-N 3.21Å | ||
| 172 | E | 45.5 | Very low | 53 | Low | 189 Ų | 189 | 158.5 Ų | 158.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -61.2 | 88.9 | 164.7 | -76.4 | 177.2 | 168.7 | 0 | 0 | 104.7 | V170 E174 | V170-E172 PolarHBondContact O-N 3.02Å; E172-E174 PolarHBondContact O-N 3.41Å | ||
| 173 | L | 47.5 | Very low | 51.9 | Low | 156 Ų | 156 | 157.2 Ų | 157.2 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -50.8 | 105.3 | 148.9 | -85.7 | 150.7 | 0 | 0 | 0 | 103.1 | E171 E175 | E171-L173 PolarHBondContact O-N 3.21Å; L173-E175 PolarHBondContact O-N 3.47Å | ||
| 174 | E | 41.9 | Very low | 50.5 | Low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -40.1 | 119.9 | 170 | -68.7 | 177.7 | 155.5 | 0 | 0 | 106.3 | E172 E176 | E172-E174 PolarHBondContact O-N 3.41Å; E174-E176 PolarHBondContact O-N 3Å | ||
| 175 | E | 38.8 | Very low | 49.1 | Very low | 189 Ų | 189 | 156 Ų | 156 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -62.4 | 81.8 | 171 | -75.9 | -179.2 | 162.1 | 0 | 0 | 106.9 | L173 T177 | L173-E175 PolarHBondContact O-N 3.47Å; E175-T177 PolarHBondContact O-N 2.86Å; E175-T177 VanDerWaalsContact O-N 3.17Å | ||
| 176 | E | 38.9 | Very low | 47.8 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -59.3 | 116.6 | 156.2 | -159.9 | 170.4 | -153.5 | 0 | 0 | 104.1 | E174 V178 | E174-E176 PolarHBondContact O-N 3Å; E176-V178 WeakPolarHBondContact O-CG2 3.5Å; E176-V178 PolarHBondContact O-N 3.43Å | ||
| 177 | T | 39.3 | Very low | 46.9 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -66 | 81.3 | 178.4 | 33.9 | 0 | 0 | 0 | 0 | 108 | E175 A179 | E175-T177 PolarHBondContact O-N 2.86Å; E175-T177 VanDerWaalsContact O-N 3.17Å; T177-A179 PolarHBondContact O-N 3.08Å; T177-A179 VanDerWaalsContact O-N 3.13Å | ||
| 178 | V | 38.5 | Very low | 46.1 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | trans | -72.6 | 106.4 | 171.7 | -164.2 | 0 | 0 | 0 | 0 | 105.8 | E176 E180 | E176-V178 WeakPolarHBondContact O-CG2 3.5Å; E176-V178 PolarHBondContact O-N 3.43Å; V178-E180 PolarHBondContact O-N 3.28Å | ||
| 179 | A | 42.4 | Very low | 45.4 | Very low | 85 Ų | 85 | 152.2 Ų | 152.2 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | -49.3 | 130.8 | 166 | 0 | 0 | 0 | 0 | 0 | 108.7 | T177 D181 | T177-A179 PolarHBondContact O-N 3.08Å; T177-A179 VanDerWaalsContact O-N 3.13Å; A179-D181 PolarHBondContact O-N 3.48Å; A179-D181 VanDerWaalsContact O-N 3.11Å | ||
| 180 | E | 43 | Very low | 44.4 | Very low | 197 Ų | 197 | 151.6 Ų | 151.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -37.6 | 111.3 | 177.6 | -63.4 | 170.2 | 156.4 | 0 | 0 | 111.9 | V178 | V178-E180 PolarHBondContact O-N 3.28Š| ||
| 181 | D | 34.6 | Very low | 43.4 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -120.1 | 105.3 | 156.5 | -151.4 | 10 | 0 | 0 | 0 | 107.4 | A179 A183 | A179-D181 PolarHBondContact O-N 3.48Å; A179-D181 VanDerWaalsContact O-N 3.11Å; D181-A183 PolarHBondContact O-N 3.43Å | ||
| 182 | D | 49.8 | Very low | 43.1 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -80.8 | 75.8 | -170.1 | -165.9 | 18.5 | 0 | 0 | 0 | 109.8 | ||||
| 183 | A | 51 | Low | 42.9 | Very low | 78 Ų | 78 | 153 Ų | 153 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | trans | -159.5 | 64.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D181 | D181-A183 PolarHBondContact O-N 3.43Š| ||
| 184 | E | 44.9 | Very low | 42.3 | Very low | 191 Ų | 191 | 155.3 Ų | 155.3 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -116.9 | 99.6 | 155.6 | -72.6 | -153.9 | 168.1 | 0 | 0 | 111.4 | T186 | E184-T186 PolarHBondContact O-N 3.43Š| ||
| 185 | L | 40.9 | Very low | 42.2 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -51.8 | 114.6 | 167.4 | -88.9 | 127.5 | 0 | 0 | 0 | 110.7 | L187 | L185-L187 PolarHBondContact O-N 3.07Å; L185-L187 VanDerWaalsContact O-N 3.08Å | ||
| 186 | T | 40.9 | Very low | 42.6 | Very low | 109 Ų | 109 | 152.1 Ų | 152.1 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 104.7 | 171.5 | -37.7 | 0 | 0 | 0 | 0 | 110 | E184 N188 | E184-T186 PolarHBondContact O-N 3.43Å; T186-N188 HydrophobicContact CG2-CB 4.37Å; T186-N188 PolarHBondContact O-N 2.99Å | ||
| 187 | L | 46.5 | Very low | 42.4 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 16.1 | 178.8 | -111.9 | 160.2 | 0 | 0 | 0 | 115.2 | L185 | L185-L187 PolarHBondContact O-N 3.07Å; L185-L187 VanDerWaalsContact O-N 3.08Å |
| 188 | N | 44.1 | Very low | 42.6 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 15.7 | -175.8 | -69.6 | -24.3 | 0 | 0 | 0 | 114 | T186 | T186-N188 HydrophobicContact CG2-CB 4.37Å; T186-N188 PolarHBondContact O-N 2.99Å |
| 189 | K | 48.7 | Very low | 42.4 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -126.3 | 12.1 | 179.2 | -101.5 | 179.4 | 177.8 | 176 | 0 | 114.8 | ||
| 190 | V | 43.7 | Very low | 42.6 | Very low | 103 Ų | 103 | 156.9 Ų | 156.9 | 62% | 0.624 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -92.9 | -10.6 | -178.8 | -171 | 0 | 0 | 0 | 0 | 112.5 | ||
| 191 | D | 40.9 | Very low | 42.4 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -88.8 | -5 | -178.9 | -83.4 | -11.1 | 0 | 0 | 0 | 114.9 | ||
| 192 | E | 44.3 | Very low | 42.8 | Very low | 184 Ų | 184 | 155 Ų | 155 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -114.6 | 4.5 | -178 | -91.1 | -177.2 | 168.2 | 0 | 0 | 115.2 | ||
| 193 | E | 39.6 | Very low | 42.5 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -114 | 39.5 | 174.4 | -153.9 | 169.7 | -157.2 | 0 | 0 | 111.4 | V195 | E193-V195 PolarHBondContact O-N 3.39Š| ||
| 194 | F | 36.8 | Very low | 42.5 | Very low | 204 Ų | 204 | 159.5 Ų | 159.5 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 42.8 | 164.2 | -124 | -87.4 | 0 | 0 | 0 | 110.4 | ||||
| 195 | V | 39.7 | Very low | 42.7 | Very low | 118 Ų | 118 | 158.5 Ų | 158.5 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | -93 | 108.3 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | E193 E197 | E193-V195 PolarHBondContact O-N 3.39Å; V195-E197 PolarHBondContact O-N 3.37Å; V195-E197 VanDerWaalsContact O-N 3.08Å | ||
| 196 | E | 45.4 | Very low | 43.3 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -6.5 | 93.7 | 158.8 | -64.2 | 172.9 | 162.1 | 0 | 0 | 115.3 | ||||
| 197 | E | 35 | Very low | 44.1 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -107.2 | 108.7 | 144.4 | -76.9 | -162.2 | 161.2 | 0 | 0 | 107.5 | V195 T199 | V195-E197 PolarHBondContact O-N 3.37Å; V195-E197 VanDerWaalsContact O-N 3.08Å; E197-T199 VanDerWaalsContact C-N 3.27Å; E197-T199 PolarHBondContact O-N 2.97Å | ||
| 198 | E | 44 | Very low | 44.6 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 94% | 0.935 | 76% | 0.761 | S | S | * | * | trans | -57 | 93.2 | 160.9 | -74.9 | -166.9 | 150.4 | 0 | 0 | 108.7 | ||||
| 199 | T | 34.8 | Very low | 45.5 | Very low | 101 Ų | 101 | 151 Ų | 151 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | trans | -103.6 | 96.2 | 156.8 | 58.5 | 0 | 0 | 0 | 0 | 108 | E197 N201 | E197-T199 VanDerWaalsContact C-N 3.27Å; E197-T199 PolarHBondContact O-N 2.97Å; T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact O-N 3.49Å | ||
| 200 | D | 45.8 | Very low | 46.2 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -46 | 95.9 | 158.8 | -165.3 | 16.4 | 0 | 0 | 0 | 109.5 | ||||
| 201 | N | 38.7 | Very low | 47 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -133.4 | 78.7 | 168.9 | -93.7 | -25.2 | 0 | 0 | 0 | 106.6 | T199 E203 | T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact O-N 3.49Å; N201-E203 PolarHBondContact O-N 3.31Å | ||
| 202 | E | 43.1 | Very low | 48 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -42.3 | 136.7 | 160.6 | -74.5 | -179.1 | 144.6 | 0 | 0 | 110.7 | N204 | E202-N204 PolarHBondContact O-N 2.81Š| ||
| 203 | E | 44.8 | Very low | 48.8 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | trans | -47.9 | 95.2 | 173.3 | -60.5 | 171.6 | 143.9 | 0 | 0 | 112.1 | N201 F205 | N201-E203 PolarHBondContact O-N 3.31Å; E203-F205 PolarHBondContact O-N 3.5Å | ||
| 204 | N | 51.1 | Low | 49.6 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -79.9 | 59.1 | 154.7 | -100.5 | 6.6 | 0 | 0 | 0 | 109.5 | E202 I206 | E202-N204 PolarHBondContact O-N 2.81Å; N204-I206 VanDerWaalsContact C-N 3.34Å; N204-I206 PolarHBondContact O-N 3.29Å; N204-I206 VanDerWaalsContact O-N 3.11Å | ||
| 205 | F | 48.8 | Very low | 50.6 | Low | 170 Ų | 170 | 128.9 Ų | 128.9 | 75% | 0.746 | 66% | 0.662 | S | S | * | * | trans | -73.1 | 95.6 | 160.5 | -167.7 | -94.9 | 0 | 0 | 0 | 106.8 | E203 D207 | E203-F205 PolarHBondContact O-N 3.5Å; F205-D207 VanDerWaalsContact C-N 3.3Å; F205-D207 HydrophobicContact CD1-CB 4.45Å; F205-D207 PolarHBondContact O-N 3.34Å | ||
| 206 | I | 52.6 | Low | 51.4 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 65% | 0.651 | 66% | 0.659 | S | S | * | * | trans | -64.5 | 95.9 | 171.9 | -61.1 | 172.8 | 0 | 0 | 0 | 107 | N204 L208 L211 | N204-I206 VanDerWaalsContact C-N 3.34Å; N204-I206 PolarHBondContact O-N 3.29Å; N204-I206 VanDerWaalsContact O-N 3.11Å; I206-L208 PolarHBondContact O-N 3.04Å; I206-L208 VanDerWaalsContact O-N 3.08Å; I206-L211 HydrophobicContact CG2-CD1 3.4Å; I206-L211 VanDerWaalsContact CG2-CD1 3.4Å; I206-L211 HydrophobicContact CG2-CG 4.4Å | ||
| 207 | D | 57.9 | Low | 51.9 | Low | 64 Ų | 64 | 129.3 Ų | 129.3 | 34% | 0.342 | 65% | 0.649 | S | S | . | * | trans | -65.3 | 109.8 | 177.5 | -176.4 | 2.8 | 0 | 0 | 0 | 109.4 | F205 N209 V210 L211 | F205-D207 VanDerWaalsContact C-N 3.3Å; F205-D207 HydrophobicContact CD1-CB 4.45Å; F205-D207 PolarHBondContact O-N 3.34Å; D207-N209 PolarHBondContact O-N 3.45Å; D207-N209 WeakPolarHBondContact OD1-CB 3.33Å; D207-N209 PolarHBondContact OD1-N 2.67Å; D207-V210 HydrophobicContact CB-CB 4.33Å; D207-V210 HydrophobicContact CB-CG2 3.87Å; D207-V210 WeakPolarHBondContact O-CB 3.35Å; D207-V210 PolarHBondContact O-N 2.85Å; D207-L211 PolarHBondContact O-N 3.02Å | ||
| 208 | L | 57 | Low | 52.8 | Low | 121 Ų | 121 | 126.4 Ų | 126.4 | 63% | 0.634 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -55.9 | -22.2 | 177.9 | -172.2 | 62 | 0 | 0 | 0 | 112.3 | I206 K212 | I206-L208 PolarHBondContact O-N 3.04Å; I206-L208 VanDerWaalsContact O-N 3.08Å; L208-K212 PolarHBondContact O-N 3.14Å |
| 209 | N | 62.6 | Low | 53.2 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78 | -30.7 | 174.6 | -66 | -35.1 | 0 | 0 | 0 | 113.2 | D207 K212 A213 | D207-N209 PolarHBondContact O-N 3.45Å; D207-N209 WeakPolarHBondContact OD1-CB 3.33Å; D207-N209 PolarHBondContact OD1-N 2.67Å; N209-K212 PolarHBondContact O-N 3.42Å; N209-A213 WeakPolarHBondContact O-CB 3.23Å; N209-A213 PolarHBondContact O-N 3.04Å |
| 210 | V | 63.7 | Low | 54.1 | Low | 79 Ų | 79 | 123.1 Ų | 123.1 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.2 | -40.5 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | D207 A213 Q214 | D207-V210 HydrophobicContact CB-CB 4.33Å; D207-V210 HydrophobicContact CB-CG2 3.87Å; D207-V210 WeakPolarHBondContact O-CB 3.35Å; D207-V210 PolarHBondContact O-N 2.85Å; V210-A213 PolarHBondContact O-N 3.36Å; V210-Q214 PolarHBondContact O-N 3.36Å |
| 211 | L | 60.8 | Low | 54.3 | Low | 83 Ų | 83 | 122 Ų | 122 | 44% | 0.435 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.4 | -42.8 | 172.7 | -87.5 | 159.2 | 0 | 0 | 0 | 112.1 | I206 D207 Q214 T215 | I206-L211 HydrophobicContact CG2-CD1 3.4Å; I206-L211 VanDerWaalsContact CG2-CD1 3.4Å; I206-L211 HydrophobicContact CG2-CG 4.4Å; D207-L211 PolarHBondContact O-N 3.02Å; L211-Q214 PolarHBondContact O-N 2.91Å; L211-T215 PolarHBondContact O-N 2.88Å; L211-T215 PolarHBondContact O-OG1 3.34Å |
| 212 | K | 62.7 | Low | 54.8 | Low | 128 Ų | 128 | 122 Ų | 122 | 56% | 0.557 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.7 | -43.1 | 174.3 | -94.3 | -179 | 175.5 | 175.8 | 0 | 112.2 | L208 N209 Q214 T215 Y216 | L208-K212 PolarHBondContact O-N 3.14Å; N209-K212 PolarHBondContact O-N 3.42Å; K212-Q214 VanDerWaalsContact C-N 3.34Å; K212-Q214 PolarHBondContact O-N 3.28Å; K212-T215 PolarHBondContact O-N 2.93Å; K212-Y216 VanDerWaalsContact O-CD2 3.24Å; K212-Y216 WeakPolarHBondContact O-CD2 3.28Å; K212-Y216 PolarHBondContact O-N 2.96Å; K212-Y216 VanDerWaalsContact O-N 3.09Å |
| 213 | A | 60 | Low | 55.3 | Low | 60 Ų | 60 | 119.5 Ų | 119.5 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.8 | -38.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N209 V210 T215 Y216 H217 | N209-A213 WeakPolarHBondContact O-CB 3.23Å; N209-A213 PolarHBondContact O-N 3.04Å; V210-A213 PolarHBondContact O-N 3.36Å; A213-T215 VanDerWaalsContact C-N 3.35Å; A213-Y216 PolarHBondContact O-N 2.96Å; A213-H217 WeakPolarHBondContact O-CB 3.3Å; A213-H217 PolarHBondContact O-N 3.15Å; A213-H217 VanDerWaalsContact O-N 3.09Å |
| 214 | Q | 57.5 | Low | 55.7 | Low | 116 Ų | 116 | 115 Ų | 115 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.1 | -37.2 | 172.4 | -80.6 | 179.1 | -17.5 | 0 | 0 | 112.5 | V210 L211 K212 H217 L218 | V210-Q214 PolarHBondContact O-N 3.36Å; L211-Q214 PolarHBondContact O-N 2.91Å; K212-Q214 VanDerWaalsContact C-N 3.34Å; K212-Q214 PolarHBondContact O-N 3.28Å; Q214-H217 PolarHBondContact O-N 3.48Å; Q214-L218 WeakPolarHBondContact O-CD1 3.45Å; Q214-L218 WeakPolarHBondContact O-CG 3.49Å; Q214-L218 PolarHBondContact O-N 3.17Å |
| 215 | T | 56.3 | Low | 55.6 | Low | 77 Ų | 77 | 116 Ų | 116 | 47% | 0.472 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.1 | -42.8 | 178.2 | -42.4 | 0 | 0 | 0 | 0 | 111.2 | L211 K212 A213 H217 L218 D219 | L211-T215 PolarHBondContact O-N 2.88Å; L211-T215 PolarHBondContact O-OG1 3.34Å; K212-T215 PolarHBondContact O-N 2.93Å; A213-T215 VanDerWaalsContact C-N 3.35Å; T215-H217 VanDerWaalsContact C-N 3.33Å; T215-H217 PolarHBondContact O-N 3.38Å; T215-L218 PolarHBondContact O-N 2.93Å; T215-D219 PolarHBondContact O-N 3.41Å |
| 216 | Y | 57.6 | Low | 55.5 | Low | 169 Ų | 169 | 116.3 Ų | 116.3 | 66% | 0.663 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.1 | -27.6 | 174.7 | -79 | -73.5 | 0 | 0 | 0 | 113.8 | K212 A213 M220 | K212-Y216 VanDerWaalsContact O-CD2 3.24Å; K212-Y216 WeakPolarHBondContact O-CD2 3.28Å; K212-Y216 PolarHBondContact O-N 2.96Å; K212-Y216 VanDerWaalsContact O-N 3.09Å; A213-Y216 PolarHBondContact O-N 2.96Å; Y216-M220 WeakPolarHBondContact O-CG 3.4Å; Y216-M220 PolarHBondContact O-N 3.34Å |
| 217 | H | 55.8 | Low | 55.4 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.3 | -22.3 | 177.7 | -150.1 | -65.2 | 0 | 0 | 0 | 112.9 | A213 Q214 T215 | A213-H217 WeakPolarHBondContact O-CB 3.3Å; A213-H217 PolarHBondContact O-N 3.15Å; A213-H217 VanDerWaalsContact O-N 3.09Å; Q214-H217 PolarHBondContact O-N 3.48Å; T215-H217 VanDerWaalsContact C-N 3.33Å; T215-H217 PolarHBondContact O-N 3.38Å |
| 218 | L | 53.3 | Low | 54.9 | Low | 112 Ų | 112 | 122.7 Ų | 122.7 | 59% | 0.586 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.7 | -44.9 | 171.1 | -77.8 | 154.6 | 0 | 0 | 0 | 111 | Q214 T215 M220 N221 E222 | Q214-L218 WeakPolarHBondContact O-CD1 3.45Å; Q214-L218 WeakPolarHBondContact O-CG 3.49Å; Q214-L218 PolarHBondContact O-N 3.17Å; T215-L218 PolarHBondContact O-N 2.93Å; L218-M220 VanDerWaalsContact C-N 3.27Å; L218-M220 PolarHBondContact O-N 3.07Å; L218-N221 PolarHBondContact O-N 3.19Å; L218-E222 PolarHBondContact O-N 3.37Å |
| 219 | D | 51.8 | Low | 54.9 | Low | 90 Ų | 90 | 123.8 Ų | 123.8 | 48% | 0.481 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.1 | -29.9 | 179.2 | -84.6 | -16.8 | 0 | 0 | 0 | 113.8 | T215 | T215-D219 PolarHBondContact O-N 3.41Å |
| 220 | M | 54.5 | Low | 54.8 | Low | 143 Ų | 143 | 126.9 Ų | 126.9 | 70% | 0.704 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83 | -9.9 | 177.7 | -69.6 | -79.9 | 81.1 | 0 | 0 | 114.3 | Y216 L218 | Y216-M220 WeakPolarHBondContact O-CG 3.4Å; Y216-M220 PolarHBondContact O-N 3.34Å; L218-M220 VanDerWaalsContact C-N 3.27Å; L218-M220 PolarHBondContact O-N 3.07Å |
| 221 | N | 49.1 | Very low | 54.2 | Low | 118 Ų | 118 | 130.7 Ų | 130.7 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -109.3 | -13.6 | -178.9 | -138.6 | 17 | 0 | 0 | 0 | 112.8 | L218 | L218-N221 PolarHBondContact O-N 3.19Å |
| 222 | E | 50.2 | Low | 53.9 | Low | 145 Ų | 145 | 131.1 Ų | 131.1 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -85.8 | -20.7 | 173.8 | -79 | -168.3 | 152.8 | 0 | 0 | 114 | L218 A224 | L218-E222 PolarHBondContact O-N 3.37Å; E222-A224 PolarHBondContact O-N 3.3Å |
| 223 | T | 52.8 | Low | 53.8 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -5.2 | -179.8 | 41.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 224 | A | 54.2 | Low | 53.9 | Low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 3.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | E222 | E222-A224 PolarHBondContact O-N 3.3Š|
| 225 | K | 48.9 | Very low | 54.7 | Low | 180 Ų | 180 | 131.5 Ų | 131.5 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -119.4 | 97.7 | 170 | -74.5 | -177.7 | -178.7 | 176.3 | 0 | 108.7 | E227 | K225-E227 PolarHBondContact O-N 3.02Š|
| 226 | Q | 46.4 | Very low | 55.7 | Low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -20.8 | 120.6 | 157.4 | -164.2 | 162.9 | -14.7 | 0 | 0 | 111.5 | D228 | Q226-D228 PolarHBondContact O-N 3.46Š| ||
| 227 | E | 50.5 | Low | 56.5 | Low | 190 Ų | 190 | 126.1 Ų | 126.1 | 89% | 0.888 | 68% | 0.684 | S | S | * | * | trans | -59 | 86.6 | 169.2 | -68.8 | -170.7 | 168.3 | 0 | 0 | 108.6 | K225 I229 | K225-E227 PolarHBondContact O-N 3.02Å; E227-I229 PolarHBondContact O-N 2.98Å | ||
| 228 | D | 48 | Very low | 57.7 | Low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | trans | -61.7 | 119.3 | 154.2 | -81.1 | -24.2 | 0 | 0 | 0 | 105.4 | Q226 L230 | Q226-D228 PolarHBondContact O-N 3.46Å; D228-L230 PolarHBondContact O-N 3.45Å | ||
| 229 | I | 56.8 | Low | 59 | Low | 144 Ų | 144 | 127.9 Ų | 127.9 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | trans | -44 | 113.4 | 176 | -64.6 | 165 | 0 | 0 | 0 | 107.5 | E227 E231 | E227-I229 PolarHBondContact O-N 2.98Å; I229-E231 HydrophobicContact CG2-CG 4.15Å; I229-E231 PolarHBondContact O-N 3.39Å | ||
| 230 | L | 59.5 | Low | 60.5 | Low | 175 Ų | 175 | 126.4 Ų | 126.4 | 92% | 0.916 | 68% | 0.678 | S | S | * | * | trans | -65.3 | 86.2 | 173.4 | -72.3 | 164.4 | 0 | 0 | 0 | 107.6 | D228 S232 | D228-L230 PolarHBondContact O-N 3.45Å; L230-S232 PolarHBondContact O-N 2.8Å; L230-S232 VanDerWaalsContact O-N 3.16Å | ||
| 231 | E | 52.5 | Low | 61.9 | Low | 160 Ų | 160 | 125 Ų | 125 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | -69.3 | 109.5 | 168.5 | -68.7 | -173 | 178.1 | 0 | 0 | 107.5 | I229 T233 | I229-E231 HydrophobicContact CG2-CG 4.15Å; I229-E231 PolarHBondContact O-N 3.39Å; E231-T233 PolarHBondContact O-N 2.86Å | ||
| 232 | S | 54.5 | Low | 63.5 | Low | 92 Ų | 92 | 123.4 Ų | 123.4 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | trans | -57.4 | 100.2 | 170.9 | 167.5 | 0 | 0 | 0 | 0 | 108.9 | L230 T234 | L230-S232 PolarHBondContact O-N 2.8Å; L230-S232 VanDerWaalsContact O-N 3.16Å; S232-T234 PolarHBondContact O-N 3.48Å; S232-T234 PolarHBondContact OG-N 2.87Å; S232-T234 PolarHBondContact OG-O 3.14Å; S232-T234 PolarHBondContact OG-OG1 3.4Å | ||
| 233 | T | 59.3 | Low | 65.2 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 88% | 0.883 | 65% | 0.646 | S | S | * | * | trans | -75.3 | 1.8 | 166.9 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | E231 D235 | E231-T233 PolarHBondContact O-N 2.86Å; T233-D235 PolarHBondContact O-N 3.39Å | ||
| 234 | T | 62.8 | Low | 66.6 | Low | 75 Ų | 75 | 120 Ų | 120 | 46% | 0.46 | 64% | 0.642 | S | S | . | * | trans | -74.9 | 119.7 | 175.4 | 5.6 | 0 | 0 | 0 | 0 | 111.1 | S232 | S232-T234 PolarHBondContact O-N 3.48Å; S232-T234 PolarHBondContact OG-N 2.87Å; S232-T234 PolarHBondContact OG-O 3.14Å; S232-T234 PolarHBondContact OG-OG1 3.4Å | ||
| 235 | D | 74.4 | Confident | 68.2 | Low | 93 Ų | 93 | 122.6 Ų | 122.6 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | trans | -63.1 | 136.5 | 173 | -179.6 | 21.6 | 0 | 0 | 0 | 110.3 | T233 A237 E238 W239 | T233-D235 PolarHBondContact O-N 3.39Å; D235-A237 PolarHBondContact O-N 3.16Å; D235-E238 HydrophobicContact CB-CB 4.33Å; D235-E238 HydrophobicContact CB-CG 4.09Å; D235-E238 PolarHBondContact O-N 3.37Å; D235-E238 VanDerWaalsContact O-N 3.08Å; D235-W239 PolarHBondContact O-N 3.45Å | ||
| 236 | A | 76.3 | Confident | 69.8 | Low | 80 Ų | 80 | 115.8 Ų | 115.8 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.6 | -28.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S240 | A236-S240 WeakPolarHBondContact O-CB 3.49Å; A236-S240 PolarHBondContact O-N 3.07Å |
| 237 | A | 75.8 | Confident | 71.4 | Confident | 53 Ų | 53 | 112.7 Ų | 112.7 | 44% | 0.438 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.3 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D235 W239 S240 L241 | D235-A237 PolarHBondContact O-N 3.16Å; A237-W239 VanDerWaalsContact C-N 3.34Å; A237-S240 PolarHBondContact O-N 3.46Å; A237-L241 WeakPolarHBondContact O-CG 3.21Å; A237-L241 PolarHBondContact O-N 2.93Å |
| 238 | E | 79.2 | Confident | 72.7 | Confident | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 175.8 | -68.4 | -175.2 | 163.2 | 0 | 0 | 111.5 | D235 L241 E242 | D235-E238 HydrophobicContact CB-CB 4.33Å; D235-E238 HydrophobicContact CB-CG 4.09Å; D235-E238 PolarHBondContact O-N 3.37Å; D235-E238 VanDerWaalsContact O-N 3.08Å; E238-L241 PolarHBondContact O-N 3.15Å; E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 2.96Å |
| 239 | W | 82 | Confident | 73.8 | Confident | 171 Ų | 171 | 108.3 Ų | 108.3 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.2 | -39.9 | 175.7 | -160.1 | 79.3 | 0 | 0 | 0 | 112.2 | D235 A237 L241 E242 V243 | D235-W239 PolarHBondContact O-N 3.45Å; A237-W239 VanDerWaalsContact C-N 3.34Å; W239-L241 VanDerWaalsContact C-N 3.34Å; W239-L241 PolarHBondContact O-N 3.4Å; W239-E242 PolarHBondContact O-N 3.36Å; W239-V243 HydrophobicContact CD2-CG2 4.06Å; W239-V243 HydrophobicContact CE3-CG2 3.81Å; W239-V243 HydrophobicContact CH2-CG2 3.97Å; W239-V243 HydrophobicContact CZ2-CG2 4.2Å; W239-V243 HydrophobicContact CZ3-CG2 3.76Å; W239-V243 VanDerWaalsContact O-CG2 3.31Å; W239-V243 WeakPolarHBondContact O-CG2 3.36Å; W239-V243 PolarHBondContact O-N 2.76Å |
| 240 | S | 81.9 | Confident | 74.7 | Confident | 59 Ų | 59 | 107.4 Ų | 107.4 | 41% | 0.413 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -40.9 | 174.6 | -170.4 | 0 | 0 | 0 | 0 | 112 | A236 A237 E242 V243 E244 | A236-S240 WeakPolarHBondContact O-CB 3.49Å; A236-S240 PolarHBondContact O-N 3.07Å; A237-S240 PolarHBondContact O-N 3.46Å; S240-E242 VanDerWaalsContact C-N 3.33Å; S240-V243 PolarHBondContact O-N 2.83Å; S240-E244 WeakPolarHBondContact O-CG 3.47Å; S240-E244 PolarHBondContact O-N 3.13Å |
| 241 | L | 83.8 | Confident | 75.2 | Confident | 114 Ų | 114 | 106.3 Ų | 106.3 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -38.3 | 176.2 | -74.9 | 171 | 0 | 0 | 0 | 111.7 | A237 E238 W239 E244 R245 | A237-L241 WeakPolarHBondContact O-CG 3.21Å; A237-L241 PolarHBondContact O-N 2.93Å; E238-L241 PolarHBondContact O-N 3.15Å; W239-L241 VanDerWaalsContact C-N 3.34Å; W239-L241 PolarHBondContact O-N 3.4Å; L241-E244 PolarHBondContact O-N 3.26Å; L241-R245 VanDerWaalsContact O-CB 3.27Å; L241-R245 WeakPolarHBondContact O-CB 3.45Å; L241-R245 PolarHBondContact O-N 3.48Å |
| 242 | E | 83.7 | Confident | 75.9 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 39% | 0.393 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | 176.5 | -173.3 | 60.7 | -166.1 | 0 | 0 | 111.9 | E238 W239 S240 R245 V246 | E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 2.96Å; W239-E242 PolarHBondContact O-N 3.36Å; S240-E242 VanDerWaalsContact C-N 3.33Å; E242-R245 WeakPolarHBondContact O-CB 3.48Å; E242-R245 PolarHBondContact O-N 3.29Å; E242-R245 IonicContact OE1-CZ 3.53Å; E242-R245 IonicContact OE1-NE 2.76Å; E242-R245 PolarHBondContact OE1-NE 2.9Å; E242-R245 IonicContact OE1-NH2 2.8Å; E242-R245 PolarHBondContact OE1-NH2 2.98Å; E242-R245 IonicContact OE2-CZ 2.58Å; E242-R245 IonicContact OE2-NE 2.96Å; E242-R245 PolarHBondContact OE2-NE 2.89Å; E242-R245 IonicContact OE2-NH2 3.81Å; E242-R245 PolarHBondContact OE2-NH2 2.91Å; E242-V246 WeakPolarHBondContact O-CB 3.37Å; E242-V246 VanDerWaalsContact O-CG2 3.28Å; E242-V246 WeakPolarHBondContact O-CG2 3.36Å; E242-V246 PolarHBondContact O-N 2.58Å |
| 243 | V | 84.9 | Confident | 76.3 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 35% | 0.352 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -45.6 | 172.5 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | W239 S240 R245 V246 L247 | W239-V243 HydrophobicContact CD2-CG2 4.06Å; W239-V243 HydrophobicContact CE3-CG2 3.81Å; W239-V243 HydrophobicContact CH2-CG2 3.97Å; W239-V243 HydrophobicContact CZ2-CG2 4.2Å; W239-V243 HydrophobicContact CZ3-CG2 3.76Å; W239-V243 VanDerWaalsContact O-CG2 3.31Å; W239-V243 WeakPolarHBondContact O-CG2 3.36Å; W239-V243 PolarHBondContact O-N 2.76Å; S240-V243 PolarHBondContact O-N 2.83Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.32Å; V243-V246 PolarHBondContact O-N 3.11Å; V243-L247 HydrophobicContact CG1-CD1 4.27Å; V243-L247 VanDerWaalsContact O-CB 3.31Å; V243-L247 WeakPolarHBondContact O-CB 3.43Å; V243-L247 PolarHBondContact O-N 2.85Å |
| 244 | E | 83.2 | Confident | 76.4 | Confident | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.9 | -33.2 | 176.2 | -75 | -171.3 | 172.5 | 0 | 0 | 112.7 | S240 L241 P248 | S240-E244 WeakPolarHBondContact O-CG 3.47Å; S240-E244 PolarHBondContact O-N 3.13Å; L241-E244 PolarHBondContact O-N 3.26Å; E244-P248 VanDerWaalsContact O-CD 3.31Å; E244-P248 WeakPolarHBondContact O-CD 3.43Å |
| 245 | R | 86.9 | Confident | 76.3 | Confident | 138 Ų | 138 | 110.6 Ų | 110.6 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.7 | -38.5 | 175.6 | -170.6 | -175.4 | 76.8 | 81.8 | -2.6 | 112.3 | L241 E242 V243 P248 | L241-R245 VanDerWaalsContact O-CB 3.27Å; L241-R245 WeakPolarHBondContact O-CB 3.45Å; L241-R245 PolarHBondContact O-N 3.48Å; E242-R245 WeakPolarHBondContact O-CB 3.48Å; E242-R245 PolarHBondContact O-N 3.29Å; E242-R245 IonicContact OE1-CZ 3.53Å; E242-R245 IonicContact OE1-NE 2.76Å; E242-R245 PolarHBondContact OE1-NE 2.9Å; E242-R245 IonicContact OE1-NH2 2.8Å; E242-R245 PolarHBondContact OE1-NH2 2.98Å; E242-R245 IonicContact OE2-CZ 2.58Å; E242-R245 IonicContact OE2-NE 2.96Å; E242-R245 PolarHBondContact OE2-NE 2.89Å; E242-R245 IonicContact OE2-NH2 3.81Å; E242-R245 PolarHBondContact OE2-NH2 2.91Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.32Å; R245-P248 WeakPolarHBondContact O-CD 3.43Å |
| 246 | V | 83.5 | Confident | 75.7 | Confident | 37 Ų | 37 | 112.2 Ų | 112.2 | 22% | 0.224 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -91.5 | -20.2 | -175.8 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | E242 V243 P248 Q249 L250 | E242-V246 WeakPolarHBondContact O-CB 3.37Å; E242-V246 VanDerWaalsContact O-CG2 3.28Å; E242-V246 WeakPolarHBondContact O-CG2 3.36Å; E242-V246 PolarHBondContact O-N 2.58Å; V243-V246 PolarHBondContact O-N 3.11Å; V246-P248 VanDerWaalsContact C-N 3.33Å; V246-Q249 WeakPolarHBondContact O-CA 3.32Å; V246-Q249 WeakPolarHBondContact O-CB 3.47Å; V246-Q249 PolarHBondContact O-N 2.85Å; V246-L250 HydrophobicContact CG1-CD1 3.78Å; V246-L250 HydrophobicContact CG1-CG 3.87Å; V246-L250 PolarHBondContact O-N 3.15Å |
| 247 | L | 79.3 | Confident | 75 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -48.7 | -44.2 | 176.4 | -150 | 92.8 | 0 | 0 | 0 | 113.9 | V243 Q249 L250 K251 | V243-L247 HydrophobicContact CG1-CD1 4.27Å; V243-L247 VanDerWaalsContact O-CB 3.31Å; V243-L247 WeakPolarHBondContact O-CB 3.43Å; V243-L247 PolarHBondContact O-N 2.85Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.46Å; L247-L250 PolarHBondContact O-N 3.41Å; L247-K251 PolarHBondContact O-N 3.49Å; L247-K251 VanDerWaalsContact O-N 3.09Å |
| 248 | P | 77.7 | Confident | 74.3 | Confident | 90 Ų | 90 | 115.7 Ų | 115.7 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.1 | -27.5 | 178.4 | -17.2 | 32.6 | 0 | 0 | 0 | 112.8 | E244 R245 V246 | E244-P248 VanDerWaalsContact O-CD 3.31Å; E244-P248 WeakPolarHBondContact O-CD 3.43Å; R245-P248 WeakPolarHBondContact O-CD 3.43Å; V246-P248 VanDerWaalsContact C-N 3.33Å |
| 249 | Q | 72.6 | Confident | 73.6 | Confident | 142 Ų | 142 | 118.2 Ų | 118.2 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.7 | -28.8 | 178 | -57.6 | -175.7 | 2.8 | 0 | 0 | 111.9 | V246 L247 | V246-Q249 WeakPolarHBondContact O-CA 3.32Å; V246-Q249 WeakPolarHBondContact O-CB 3.47Å; V246-Q249 PolarHBondContact O-N 2.85Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.46Å |
| 250 | L | 74.4 | Confident | 73.4 | Confident | 126 Ų | 126 | 111.6 Ų | 111.6 | 66% | 0.66 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -83.3 | -14 | 173.5 | -70.6 | 169.4 | 0 | 0 | 0 | 113.3 | V246 L247 V252 | V246-L250 HydrophobicContact CG1-CD1 3.78Å; V246-L250 HydrophobicContact CG1-CG 3.87Å; V246-L250 PolarHBondContact O-N 3.15Å; L247-L250 PolarHBondContact O-N 3.41Å; L250-V252 PolarHBondContact O-N 2.94Å |
| 251 | K | 71.1 | Confident | 73.5 | Confident | 152 Ų | 152 | 116.2 Ų | 116.2 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | trans | -71.9 | 85.8 | 173.7 | -167 | 175.2 | -177.7 | 176.8 | 0 | 108.7 | L247 T253 | L247-K251 PolarHBondContact O-N 3.49Å; L247-K251 VanDerWaalsContact O-N 3.09Å; K251-T253 HydrophobicContact CG-CG2 4.39Å; K251-T253 PolarHBondContact O-N 3.42Å | ||
| 252 | V | 66.1 | Low | 73.4 | Confident | 122 Ų | 122 | 117.4 Ų | 117.4 | 74% | 0.739 | 57% | 0.571 | S | S | * | * | trans | -65.8 | 85.9 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L250 I254 | L250-V252 PolarHBondContact O-N 2.94Å; V252-I254 HydrophobicContact CG1-CG1 4.11Å; V252-I254 PolarHBondContact O-N 3.1Å; V252-I254 VanDerWaalsContact O-N 3.1Å | ||
| 253 | T | 63 | Low | 73.5 | Confident | 92 Ų | 92 | 116.2 Ų | 116.2 | 56% | 0.564 | 57% | 0.566 | S | S | * | * | trans | -73.4 | 97.5 | 164.1 | 46.8 | 0 | 0 | 0 | 0 | 106.8 | K251 R255 | K251-T253 HydrophobicContact CG-CG2 4.39Å; K251-T253 PolarHBondContact O-N 3.42Å; T253-R255 VanDerWaalsContact C-N 3.26Å; T253-R255 PolarHBondContact O-N 3.39Å | ||
| 254 | I | 61.7 | Low | 73.5 | Confident | 138 Ų | 138 | 117.8 Ų | 117.8 | 71% | 0.708 | 57% | 0.57 | S | S | * | * | trans | -61.9 | 96.4 | 166.3 | -56.5 | 171.6 | 0 | 0 | 0 | 105.7 | V252 T256 | V252-I254 HydrophobicContact CG1-CG1 4.11Å; V252-I254 PolarHBondContact O-N 3.1Å; V252-I254 VanDerWaalsContact O-N 3.1Å; I254-T256 PolarHBondContact O-N 2.94Å | ||
| 255 | R | 61 | Low | 73.9 | Confident | 209 Ų | 209 | 113.9 Ų | 113.9 | 79% | 0.789 | 56% | 0.555 | S | S | * | * | trans | -72.3 | 123.1 | 169.2 | -66 | -167.5 | 177.9 | -153.5 | 1.2 | 105.6 | T253 D257 | T253-R255 VanDerWaalsContact C-N 3.26Å; T253-R255 PolarHBondContact O-N 3.39Å; R255-D257 PolarHBondContact O-N 3.48Å | ||
| 256 | T | 61.6 | Low | 74 | Confident | 127 Ų | 127 | 112.5 Ų | 112.5 | 78% | 0.779 | 56% | 0.557 | S | S | * | * | trans | -66.7 | 82.8 | 169.1 | 47.5 | 0 | 0 | 0 | 0 | 107.5 | I254 | I254-T256 PolarHBondContact O-N 2.94Š| ||
| 257 | D | 60.6 | Low | 74.3 | Confident | 90 Ų | 90 | 114.3 Ų | 114.3 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | trans | -87 | 144.8 | 176.1 | -160.2 | -10.3 | 0 | 0 | 0 | 108.3 | R255 K259 D260 | R255-D257 PolarHBondContact O-N 3.48Å; D257-K259 PolarHBondContact O-N 2.86Å; D257-D260 VanDerWaalsContact O-CB 3.28Å; D257-D260 WeakPolarHBondContact O-CB 3.44Å; D257-D260 PolarHBondContact O-N 3.32Å | ||
| 258 | N | 61.7 | Low | 75 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 62% | 0.615 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -0.2 | 178.7 | -157.8 | 16.5 | 0 | 0 | 0 | 112.4 | H264 | N258-H264 PolarHBondContact O-NE2 2.76Š|
| 259 | K | 65.2 | Low | 75.9 | Confident | 175 Ų | 175 | 115.5 Ų | 115.5 | 76% | 0.761 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 4.6 | 170.4 | -61 | 178.8 | 179.8 | 179.9 | 0 | 112.8 | D257 W261 | D257-K259 PolarHBondContact O-N 2.86Å; K259-W261 PolarHBondContact O-N 3.21Å |
| 260 | D | 77.3 | Confident | 77 | Confident | 33 Ų | 33 | 115.4 Ų | 115.4 | 18% | 0.176 | 56% | 0.559 | C | S | . | * | trans | -71 | 111.7 | 174.1 | -167.3 | -9.5 | 0 | 0 | 0 | 108.9 | D257 R262 I263 | D257-D260 VanDerWaalsContact O-CB 3.28Å; D257-D260 WeakPolarHBondContact O-CB 3.44Å; D257-D260 PolarHBondContact O-N 3.32Å; D260-R262 PolarHBondContact O-N 3.16Å; D260-R262 WeakPolarHBondContact OD1-CB 3.49Å; D260-R262 WeakPolarHBondContact OD1-CG 3.35Å; D260-R262 PolarHBondContact OD1-N 3.43Å; D260-R262 VanDerWaalsContact OD1-N 3.11Å; D260-I263 HydrophobicContact CB-CD1 4.28Å; D260-I263 HydrophobicContact CB-CG1 4.36Å; D260-I263 PolarHBondContact O-N 2.96Å | ||
| 261 | W | 83.8 | Confident | 78 | Confident | 155 Ų | 155 | 115.3 Ų | 115.3 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -53.2 | -23.4 | 177.1 | 65.6 | -90.8 | 0 | 0 | 0 | 112.6 | K259 H264 V265 | K259-W261 PolarHBondContact O-N 3.21Å; W261-H264 PolarHBondContact O-N 2.72Å; W261-V265 HydrophobicContact CE3-CG2 3.78Å; W261-V265 HydrophobicContact CZ3-CG2 4.13Å; W261-V265 VanDerWaalsContact O-CG2 3.32Å; W261-V265 WeakPolarHBondContact O-CG2 3.2Å; W261-V265 PolarHBondContact O-N 2.68Å |
| 262 | R | 83.1 | Confident | 79.3 | Confident | 139 Ų | 139 | 113.8 Ų | 113.8 | 53% | 0.525 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.1 | -68.3 | 176.3 | 159.9 | 82.2 | 1.8 | 112.5 | D260 H264 V265 D266 | D260-R262 PolarHBondContact O-N 3.16Å; D260-R262 WeakPolarHBondContact OD1-CB 3.49Å; D260-R262 WeakPolarHBondContact OD1-CG 3.35Å; D260-R262 PolarHBondContact OD1-N 3.43Å; D260-R262 VanDerWaalsContact OD1-N 3.11Å; R262-H264 VanDerWaalsContact C-N 3.34Å; R262-V265 PolarHBondContact O-N 2.99Å; R262-D266 PolarHBondContact O-N 3.22Å |
| 263 | I | 85.2 | Confident | 80.7 | Confident | 59 Ų | 59 | 111.7 Ų | 111.7 | 30% | 0.303 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 178.5 | -61.4 | 173 | 0 | 0 | 0 | 109.6 | D260 V265 D266 Q267 | D260-I263 HydrophobicContact CB-CD1 4.28Å; D260-I263 HydrophobicContact CB-CG1 4.36Å; D260-I263 PolarHBondContact O-N 2.96Å; I263-V265 VanDerWaalsContact C-N 3.35Å; I263-V265 PolarHBondContact O-N 3.33Å; I263-D266 PolarHBondContact O-N 3.12Å; I263-Q267 HydrophobicContact CG2-CG 4.49Å; I263-Q267 WeakPolarHBondContact O-CB 3.35Å; I263-Q267 VanDerWaalsContact O-CG 3.26Å; I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 3.12Å |
| 264 | H | 85.3 | Confident | 82.3 | Confident | 92 Ų | 92 | 109.2 Ų | 109.2 | 43% | 0.426 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 175.4 | -62.7 | -45.6 | 0 | 0 | 0 | 112.9 | N258 W261 R262 Q267 M268 | N258-H264 PolarHBondContact O-NE2 2.76Å; W261-H264 PolarHBondContact O-N 2.72Å; R262-H264 VanDerWaalsContact C-N 3.34Å; H264-Q267 PolarHBondContact ND1-OE1 2.68Å; H264-Q267 PolarHBondContact O-N 2.71Å; H264-M268 WeakPolarHBondContact O-CB 3.39Å; H264-M268 PolarHBondContact O-N 3.36Å |
| 265 | V | 90.4 | Very high | 84 | Confident | 49 Ų | 49 | 108 Ų | 108 | 30% | 0.297 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 174.7 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | W261 R262 I263 M268 H269 | W261-V265 HydrophobicContact CE3-CG2 3.78Å; W261-V265 HydrophobicContact CZ3-CG2 4.13Å; W261-V265 VanDerWaalsContact O-CG2 3.32Å; W261-V265 WeakPolarHBondContact O-CG2 3.2Å; W261-V265 PolarHBondContact O-N 2.68Å; R262-V265 PolarHBondContact O-N 2.99Å; I263-V265 VanDerWaalsContact C-N 3.35Å; I263-V265 PolarHBondContact O-N 3.33Å; V265-M268 PolarHBondContact O-N 3.37Å; V265-H269 PolarHBondContact O-N 3.49Å; V265-H269 PolarHBondContact O-ND1 3.32Å |
| 266 | D | 88.8 | Confident | 85.7 | Confident | 108 Ų | 108 | 103.3 Ų | 103.3 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 175.9 | -72.7 | -20.4 | 0 | 0 | 0 | 111.4 | R262 I263 M268 H269 Q270 | R262-D266 PolarHBondContact O-N 3.22Å; I263-D266 PolarHBondContact O-N 3.12Å; D266-M268 VanDerWaalsContact C-N 3.35Å; D266-M268 PolarHBondContact O-N 3.34Å; D266-H269 PolarHBondContact O-N 2.85Å; D266-Q270 PolarHBondContact O-N 3.4Å |
| 267 | Q | 91.3 | Very high | 87.4 | Confident | 75 Ų | 75 | 100.9 Ų | 100.9 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 171.6 | -74.4 | 170.1 | -16.7 | 0 | 0 | 111.7 | I263 H264 H269 Q270 H271 | I263-Q267 HydrophobicContact CG2-CG 4.49Å; I263-Q267 WeakPolarHBondContact O-CB 3.35Å; I263-Q267 VanDerWaalsContact O-CG 3.26Å; I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 3.12Å; H264-Q267 PolarHBondContact ND1-OE1 2.68Å; H264-Q267 PolarHBondContact O-N 2.71Å; Q267-H269 VanDerWaalsContact C-N 3.34Å; Q267-H269 PolarHBondContact O-N 3.09Å; Q267-Q270 WeakPolarHBondContact O-CB 3.08Å; Q267-Q270 PolarHBondContact O-N 3.24Å; Q267-Q270 VanDerWaalsContact O-N 3.16Å; Q267-H271 PolarHBondContact O-CD2 3.07Å; Q267-H271 PolarHBondContact O-N 3.44Å |
| 268 | M | 93.9 | Very high | 89.1 | Confident | 119 Ų | 119 | 99 Ų | 99 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 177.3 | -171.3 | -178.3 | 72.3 | 0 | 0 | 112 | H264 V265 D266 K272 | H264-M268 WeakPolarHBondContact O-CB 3.39Å; H264-M268 PolarHBondContact O-N 3.36Å; V265-M268 PolarHBondContact O-N 3.37Å; D266-M268 VanDerWaalsContact C-N 3.35Å; D266-M268 PolarHBondContact O-N 3.34Å; M268-K272 VanDerWaalsContact O-CB 3.28Å; M268-K272 WeakPolarHBondContact O-CB 3.28Å; M268-K272 PolarHBondContact O-N 3.17Å |
| 269 | H | 96.1 | Very high | 90.8 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 174.2 | -72.9 | 96.6 | 0 | 0 | 0 | 112 | V265 D266 Q267 K272 S273 | V265-H269 PolarHBondContact O-N 3.49Å; V265-H269 PolarHBondContact O-ND1 3.32Å; D266-H269 PolarHBondContact O-N 2.85Å; Q267-H269 VanDerWaalsContact C-N 3.34Å; Q267-H269 PolarHBondContact O-N 3.09Å; H269-K272 PolarHBondContact O-N 3.14Å; H269-S273 PolarHBondContact O-N 3.29Å |
| 270 | Q | 96.1 | Very high | 92.3 | Very high | 140 Ų | 140 | 98.9 Ų | 98.9 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -48.4 | 175.9 | -173.9 | 175.5 | 0.7 | 0 | 0 | 111.6 | D266 Q267 S273 G274 | D266-Q270 PolarHBondContact O-N 3.4Å; Q267-Q270 WeakPolarHBondContact O-CB 3.08Å; Q267-Q270 PolarHBondContact O-N 3.24Å; Q267-Q270 VanDerWaalsContact O-N 3.16Å; Q270-S273 PolarHBondContact O-N 3.18Å; Q270-G274 PolarHBondContact O-N 2.83Å |
| 271 | H | 95.6 | Very high | 93.2 | Very high | 123 Ų | 123 | 102.8 Ų | 102.8 | 57% | 0.569 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 175.9 | -67.2 | -49.5 | 0 | 0 | 0 | 111.9 | Q267 S273 G274 I275 | Q267-H271 PolarHBondContact O-CD2 3.07Å; Q267-H271 PolarHBondContact O-N 3.44Å; H271-S273 VanDerWaalsContact C-N 3.33Å; H271-S273 PolarHBondContact O-N 3.29Å; H271-G274 PolarHBondContact O-N 2.93Å; H271-G274 VanDerWaalsContact O-N 3.13Å; H271-I275 VanDerWaalsContact O-CG1 3.29Å; H271-I275 WeakPolarHBondContact O-CG1 3.3Å; H271-I275 PolarHBondContact O-N 3.29Å |
| 272 | K | 96.9 | Very high | 93.8 | Very high | 121 Ų | 121 | 99.7 Ų | 99.7 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 175.2 | 179 | -179.3 | 172.8 | -178.1 | 0 | 111.5 | M268 H269 G274 I275 E276 | M268-K272 VanDerWaalsContact O-CB 3.28Å; M268-K272 WeakPolarHBondContact O-CB 3.28Å; M268-K272 PolarHBondContact O-N 3.17Å; H269-K272 PolarHBondContact O-N 3.14Å; K272-G274 VanDerWaalsContact C-N 3.31Å; K272-G274 PolarHBondContact O-N 2.96Å; K272-I275 PolarHBondContact O-N 3.27Å; K272-E276 WeakPolarHBondContact CE-OE1 3.3Å; K272-E276 IonicContact NZ-OE1 3.36Å; K272-E276 WeakPolarHBondContact O-CG 3.46Å; K272-E276 PolarHBondContact O-N 3.28Å |
| 273 | S | 97.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 99.3 Ų | 99.3 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | H269 Q270 H271 S277 | H269-S273 PolarHBondContact O-N 3.29Å; Q270-S273 PolarHBondContact O-N 3.18Å; H271-S273 VanDerWaalsContact C-N 3.33Å; H271-S273 PolarHBondContact O-N 3.29Å; S273-S277 WeakPolarHBondContact O-CB 3.4Å; S273-S277 PolarHBondContact O-N 2.91Å |
| 274 | G | 96.7 | Very high | 95 | Very high | 40 Ų | 40 | 98 Ų | 98 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q270 H271 K272 E276 S277 A278 | Q270-G274 PolarHBondContact O-N 2.83Å; H271-G274 PolarHBondContact O-N 2.93Å; H271-G274 VanDerWaalsContact O-N 3.13Å; K272-G274 VanDerWaalsContact C-N 3.31Å; K272-G274 PolarHBondContact O-N 2.96Å; G274-E276 PolarHBondContact O-N 3.38Å; G274-S277 PolarHBondContact O-N 3.29Å; G274-A278 WeakPolarHBondContact O-CB 2.99Å; G274-A278 PolarHBondContact O-N 3.31Å |
| 275 | I | 96.4 | Very high | 95.5 | Very high | 114 Ų | 114 | 99 Ų | 99 | 59% | 0.585 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 176.9 | -67.5 | 164.8 | 0 | 0 | 0 | 110.8 | H271 K272 S277 A278 L279 | H271-I275 VanDerWaalsContact O-CG1 3.29Å; H271-I275 WeakPolarHBondContact O-CG1 3.3Å; H271-I275 PolarHBondContact O-N 3.29Å; K272-I275 PolarHBondContact O-N 3.27Å; I275-S277 VanDerWaalsContact C-N 3.32Å; I275-S277 PolarHBondContact O-N 2.81Å; I275-A278 PolarHBondContact O-N 3.39Å; I275-L279 WeakPolarHBondContact O-CB 3.4Å; I275-L279 PolarHBondContact O-N 3.5Å |
| 276 | E | 97.4 | Very high | 95.9 | Very high | 110 Ų | 110 | 102.1 Ų | 102.1 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 178.1 | -76.8 | 177.8 | -177.7 | 0 | 0 | 112.3 | K272 G274 K280 | K272-E276 WeakPolarHBondContact CE-OE1 3.3Å; K272-E276 IonicContact NZ-OE1 3.36Å; K272-E276 WeakPolarHBondContact O-CG 3.46Å; K272-E276 PolarHBondContact O-N 3.28Å; G274-E276 PolarHBondContact O-N 3.38Å; E276-K280 WeakPolarHBondContact O-CB 3.43Å; E276-K280 PolarHBondContact O-N 3.49Å |
| 277 | S | 97.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 100.8 Ų | 100.8 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.1 | -49.9 | 175.8 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | S273 G274 I275 L279 K280 E281 | S273-S277 WeakPolarHBondContact O-CB 3.4Å; S273-S277 PolarHBondContact O-N 2.91Å; G274-S277 PolarHBondContact O-N 3.29Å; I275-S277 VanDerWaalsContact C-N 3.32Å; I275-S277 PolarHBondContact O-N 2.81Å; S277-L279 VanDerWaalsContact C-N 3.34Å; S277-L279 PolarHBondContact O-N 3.16Å; S277-K280 WeakPolarHBondContact O-CB 3.38Å; S277-K280 PolarHBondContact O-N 3.26Å; S277-E281 PolarHBondContact O-N 3.36Å |
| 278 | A | 95.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G274 I275 K280 E281 T282 | G274-A278 WeakPolarHBondContact O-CB 2.99Å; G274-A278 PolarHBondContact O-N 3.31Å; I275-A278 PolarHBondContact O-N 3.39Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 2.92Å; A278-E281 PolarHBondContact O-N 2.89Å; A278-E281 VanDerWaalsContact O-N 3.12Å; A278-T282 PolarHBondContact O-N 3.18Å; A278-T282 PolarHBondContact O-OG1 2.78Å |
| 279 | L | 96.6 | Very high | 96.7 | Very high | 118 Ų | 118 | 102.7 Ų | 102.7 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 177.2 | -178.8 | 65.8 | 0 | 0 | 0 | 112.2 | I275 S277 E281 K283 | I275-L279 WeakPolarHBondContact O-CB 3.4Å; I275-L279 PolarHBondContact O-N 3.5Å; S277-L279 VanDerWaalsContact C-N 3.34Å; S277-L279 PolarHBondContact O-N 3.16Å; L279-E281 VanDerWaalsContact C-N 3.33Å; L279-K283 VanDerWaalsContact O-CB 3.22Å; L279-K283 WeakPolarHBondContact O-CB 3.49Å; L279-K283 PolarHBondContact O-N 2.97Å |
| 280 | K | 97.3 | Very high | 96.8 | Very high | 170 Ų | 170 | 102.9 Ų | 102.9 | 74% | 0.739 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | 177 | -176.9 | -179 | 178.3 | -176.3 | 0 | 111.4 | E276 S277 A278 G284 | E276-K280 WeakPolarHBondContact O-CB 3.43Å; E276-K280 PolarHBondContact O-N 3.49Å; S277-K280 WeakPolarHBondContact O-CB 3.38Å; S277-K280 PolarHBondContact O-N 3.26Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 2.92Å; K280-G284 PolarHBondContact O-N 3.36Å; K280-G284 VanDerWaalsContact O-N 3.11Å |
| 281 | E | 96.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 100.4 Ų | 100.4 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68 | -49.9 | 178.3 | -170.7 | 177 | -179.6 | 0 | 0 | 111.7 | S277 A278 L279 K283 G284 F285 | S277-E281 PolarHBondContact O-N 3.36Å; A278-E281 PolarHBondContact O-N 2.89Å; A278-E281 VanDerWaalsContact O-N 3.12Å; L279-E281 VanDerWaalsContact C-N 3.33Å; E281-K283 VanDerWaalsContact C-N 3.3Å; E281-K283 PolarHBondContact O-N 3.27Å; E281-G284 WeakPolarHBondContact O-CA 3.19Å; E281-G284 PolarHBondContact O-N 2.71Å; E281-F285 HydrophobicContact CG-CD2 4.08Å; E281-F285 HydrophobicContact CG-CE2 3.48Å; E281-F285 VanDerWaalsContact CG-CE2 3.48Å; E281-F285 HydrophobicContact CG-CZ 4.01Å; E281-F285 WeakPolarHBondContact O-CD2 3.34Å; E281-F285 PolarHBondContact O-N 3.49Å; E281-F285 WeakPolarHBondContact OE1-CE2 3.2Å; E281-F285 WeakPolarHBondContact OE1-CZ 3.47Å |
| 282 | T | 96.1 | Very high | 97 | Very high | 90 Ų | 90 | 100.9 Ų | 100.9 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.4 | -42.2 | 176.9 | -49.8 | 0 | 0 | 0 | 0 | 111.6 | A278 G284 F285 L286 | A278-T282 PolarHBondContact O-N 3.18Å; A278-T282 PolarHBondContact O-OG1 2.78Å; T282-G284 VanDerWaalsContact C-N 3.31Å; T282-G284 PolarHBondContact O-N 3.05Å; T282-F285 PolarHBondContact O-N 3.32Å; T282-L286 PolarHBondContact O-N 2.84Å |
| 283 | K | 97.3 | Very high | 97.1 | Very high | 132 Ų | 132 | 99 Ų | 99 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | 174.3 | -175.4 | 176.8 | 179.1 | 178.5 | 0 | 111.6 | L279 E281 F285 L286 D287 | L279-K283 VanDerWaalsContact O-CB 3.22Å; L279-K283 WeakPolarHBondContact O-CB 3.49Å; L279-K283 PolarHBondContact O-N 2.97Å; E281-K283 VanDerWaalsContact C-N 3.3Å; E281-K283 PolarHBondContact O-N 3.27Å; K283-F285 PolarHBondContact O-N 3.21Å; K283-L286 PolarHBondContact O-N 3.29Å; K283-D287 WeakPolarHBondContact O-CB 3.29Å; K283-D287 PolarHBondContact O-N 2.98Å |
| 284 | G | 97 | Very high | 97.1 | Very high | 30 Ų | 30 | 97.6 Ų | 97.6 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K280 E281 T282 K288 | K280-G284 PolarHBondContact O-N 3.36Å; K280-G284 VanDerWaalsContact O-N 3.11Å; E281-G284 WeakPolarHBondContact O-CA 3.19Å; E281-G284 PolarHBondContact O-N 2.71Å; T282-G284 VanDerWaalsContact C-N 3.31Å; T282-G284 PolarHBondContact O-N 3.05Å; G284-K288 VanDerWaalsContact O-CG 3.31Å; G284-K288 WeakPolarHBondContact O-CG 3.36Å; G284-K288 PolarHBondContact O-N 3.02Å; G284-K288 VanDerWaalsContact O-N 3.12Å |
| 285 | F | 96 | Very high | 97.2 | Very high | 114 Ų | 114 | 103.7 Ų | 103.7 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 173.1 | -68.3 | -51.2 | 0 | 0 | 0 | 112 | E281 T282 K283 D287 K288 L289 | E281-F285 HydrophobicContact CG-CD2 4.08Å; E281-F285 HydrophobicContact CG-CE2 3.48Å; E281-F285 VanDerWaalsContact CG-CE2 3.48Å; E281-F285 HydrophobicContact CG-CZ 4.01Å; E281-F285 WeakPolarHBondContact O-CD2 3.34Å; E281-F285 PolarHBondContact O-N 3.49Å; E281-F285 WeakPolarHBondContact OE1-CE2 3.2Å; E281-F285 WeakPolarHBondContact OE1-CZ 3.47Å; T282-F285 PolarHBondContact O-N 3.32Å; K283-F285 PolarHBondContact O-N 3.21Å; F285-D287 PolarHBondContact O-N 2.94Å; F285-K288 PolarHBondContact O-N 3.38Å; F285-L289 WeakPolarHBondContact O-CB 3.45Å; F285-L289 PolarHBondContact O-N 2.93Å |
| 286 | L | 97 | Very high | 97.2 | Very high | 114 Ų | 114 | 101 Ų | 101 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 178.3 | -172.3 | 63.7 | 0 | 0 | 0 | 111.8 | T282 K283 K288 L289 H290 | T282-L286 PolarHBondContact O-N 2.84Å; K283-L286 PolarHBondContact O-N 3.29Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 3.09Å; L286-L289 PolarHBondContact O-N 3.25Å; L286-H290 WeakPolarHBondContact O-CB 3.32Å; L286-H290 PolarHBondContact O-N 2.98Å |
| 287 | D | 97.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 100.9 Ų | 100.9 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.4 | -77.3 | -25.4 | 0 | 0 | 0 | 111.6 | K283 F285 N291 | K283-D287 WeakPolarHBondContact O-CB 3.29Å; K283-D287 PolarHBondContact O-N 2.98Å; F285-D287 PolarHBondContact O-N 2.94Å; D287-N291 WeakPolarHBondContact O-CB 3.45Å; D287-N291 VanDerWaalsContact O-CG 3.26Å; D287-N291 PolarHBondContact O-N 3.26Å; D287-N291 PolarHBondContact O-ND2 3.44Å |
| 288 | K | 97.4 | Very high | 97.3 | Very high | 142 Ų | 142 | 103.3 Ų | 103.3 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 174.4 | -74.9 | 171.5 | -175.9 | 173.6 | 0 | 111.2 | G284 F285 L286 N291 E292 | G284-K288 VanDerWaalsContact O-CG 3.31Å; G284-K288 WeakPolarHBondContact O-CG 3.36Å; G284-K288 PolarHBondContact O-N 3.02Å; G284-K288 VanDerWaalsContact O-N 3.12Å; F285-K288 PolarHBondContact O-N 3.38Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 3.09Å; K288-N291 PolarHBondContact O-N 3.49Å; K288-E292 PolarHBondContact O-N 3.23Å |
| 289 | L | 97.4 | Very high | 97.4 | Very high | 92 Ų | 92 | 106.7 Ų | 106.7 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -44 | 179.1 | -171.3 | 154.3 | 0 | 0 | 0 | 110.9 | F285 L286 N291 E292 I293 | F285-L289 WeakPolarHBondContact O-CB 3.45Å; F285-L289 PolarHBondContact O-N 2.93Å; L286-L289 PolarHBondContact O-N 3.25Å; L289-N291 VanDerWaalsContact C-N 3.33Å; L289-N291 PolarHBondContact O-N 3.37Å; L289-E292 PolarHBondContact O-N 3.25Å; L289-I293 HydrophobicContact CD2-CD1 3.36Å; L289-I293 HydrophobicContact CD2-CG1 4.04Å; L289-I293 HydrophobicContact CG-CD1 4.42Å; L289-I293 WeakPolarHBondContact O-CG1 3.17Å; L289-I293 PolarHBondContact O-N 3.09Å |
| 290 | H | 97.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 104.9 Ų | 104.9 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 175.1 | 179.4 | 75.2 | 0 | 0 | 0 | 112.1 | L286 I293 T294 | L286-H290 WeakPolarHBondContact O-CB 3.32Å; L286-H290 PolarHBondContact O-N 2.98Å; H290-I293 PolarHBondContact O-N 3.39Å; H290-T294 WeakPolarHBondContact O-CB 3.19Å; H290-T294 PolarHBondContact O-N 3.32Å; H290-T294 PolarHBondContact O-OG1 2.97Å |
| 291 | N | 98.1 | Very high | 97.5 | Very high | 88 Ų | 88 | 97.9 Ų | 97.9 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 178 | -75.9 | -49.4 | 0 | 0 | 0 | 112.4 | D287 K288 L289 R295 | D287-N291 WeakPolarHBondContact O-CB 3.45Å; D287-N291 VanDerWaalsContact O-CG 3.26Å; D287-N291 PolarHBondContact O-N 3.26Å; D287-N291 PolarHBondContact O-ND2 3.44Å; K288-N291 PolarHBondContact O-N 3.49Å; L289-N291 VanDerWaalsContact C-N 3.33Å; L289-N291 PolarHBondContact O-N 3.37Å; N291-R295 WeakPolarHBondContact O-CB 3.39Å; N291-R295 VanDerWaalsContact O-CG 3.28Å; N291-R295 WeakPolarHBondContact O-CG 3.24Å; N291-R295 PolarHBondContact O-N 3.1Å |
| 292 | E | 98 | Very high | 97.5 | Very high | 132 Ų | 132 | 95.7 Ų | 95.7 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.4 | -48.9 | 175.7 | -175 | 169.4 | -171.2 | 0 | 0 | 111.2 | K288 L289 T294 R295 T296 | K288-E292 PolarHBondContact O-N 3.23Å; L289-E292 PolarHBondContact O-N 3.25Å; E292-T294 VanDerWaalsContact C-N 3.33Å; E292-T294 PolarHBondContact O-N 2.9Å; E292-R295 PolarHBondContact O-N 2.86Å; E292-T296 WeakPolarHBondContact O-CG2 3.42Å; E292-T296 PolarHBondContact O-N 3.16Å |
| 293 | I | 97.7 | Very high | 97.5 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 175.3 | -70.1 | -177.8 | 0 | 0 | 0 | 110.2 | L289 H290 R295 T296 L297 | L289-I293 HydrophobicContact CD2-CD1 3.36Å; L289-I293 HydrophobicContact CD2-CG1 4.04Å; L289-I293 HydrophobicContact CG-CD1 4.42Å; L289-I293 WeakPolarHBondContact O-CG1 3.17Å; L289-I293 PolarHBondContact O-N 3.09Å; H290-I293 PolarHBondContact O-N 3.39Å; I293-R295 VanDerWaalsContact C-N 3.32Å; I293-R295 PolarHBondContact O-N 3.15Å; I293-T296 WeakPolarHBondContact CA-OG1 3.47Å; I293-T296 PolarHBondContact O-N 2.99Å; I293-T296 PolarHBondContact O-OG1 3.44Å; I293-L297 HydrophobicContact CG2-CD1 3.89Å; I293-L297 HydrophobicContact CG2-CG 4.27Å; I293-L297 WeakPolarHBondContact O-CG 3.34Å; I293-L297 PolarHBondContact O-N 3.47Å |
| 294 | T | 98.4 | Very high | 97.5 | Very high | 47 Ų | 47 | 98.1 Ų | 98.1 | 29% | 0.288 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 178.9 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | H290 E292 T296 L297 E298 | H290-T294 WeakPolarHBondContact O-CB 3.19Å; H290-T294 PolarHBondContact O-N 3.32Å; H290-T294 PolarHBondContact O-OG1 2.97Å; E292-T294 VanDerWaalsContact C-N 3.33Å; E292-T294 PolarHBondContact O-N 2.9Å; T294-T296 VanDerWaalsContact C-N 3.33Å; T294-T296 PolarHBondContact O-N 3.36Å; T294-L297 PolarHBondContact O-N 3.02Å; T294-E298 WeakPolarHBondContact O-CG 3.48Å; T294-E298 PolarHBondContact O-N 3.22Å |
| 295 | R | 98.1 | Very high | 97.5 | Very high | 167 Ų | 167 | 103.9 Ų | 103.9 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -37.4 | 175.7 | -73.6 | 172 | 178.9 | -177.7 | 1.2 | 112.8 | N291 E292 I293 K299 | N291-R295 WeakPolarHBondContact O-CB 3.39Å; N291-R295 VanDerWaalsContact O-CG 3.28Å; N291-R295 WeakPolarHBondContact O-CG 3.24Å; N291-R295 PolarHBondContact O-N 3.1Å; E292-R295 PolarHBondContact O-N 2.86Å; I293-R295 VanDerWaalsContact C-N 3.32Å; I293-R295 PolarHBondContact O-N 3.15Å; R295-K299 VanDerWaalsContact O-CG 3.3Å; R295-K299 WeakPolarHBondContact O-CG 3.35Å; R295-K299 PolarHBondContact O-N 2.93Å; R295-K299 VanDerWaalsContact O-N 3.08Å |
| 296 | T | 97.3 | Very high | 97.6 | Very high | 59 Ų | 59 | 105.3 Ų | 105.3 | 36% | 0.362 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 176.6 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | E292 I293 T294 K299 I300 | E292-T296 WeakPolarHBondContact O-CG2 3.42Å; E292-T296 PolarHBondContact O-N 3.16Å; I293-T296 WeakPolarHBondContact CA-OG1 3.47Å; I293-T296 PolarHBondContact O-N 2.99Å; I293-T296 PolarHBondContact O-OG1 3.44Å; T294-T296 VanDerWaalsContact C-N 3.33Å; T294-T296 PolarHBondContact O-N 3.36Å; T296-K299 WeakPolarHBondContact O-CB 3.33Å; T296-K299 PolarHBondContact O-N 3.05Å; T296-I300 VanDerWaalsContact O-CG1 3.29Å; T296-I300 WeakPolarHBondContact O-CG1 3.42Å; T296-I300 PolarHBondContact O-N 3.15Å |
| 297 | L | 97.6 | Very high | 97.5 | Very high | 106 Ų | 106 | 103.9 Ų | 103.9 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -41.8 | 175.7 | -72.2 | 173.4 | 0 | 0 | 0 | 111.7 | I293 T294 K299 I300 G301 | I293-L297 HydrophobicContact CG2-CD1 3.89Å; I293-L297 HydrophobicContact CG2-CG 4.27Å; I293-L297 WeakPolarHBondContact O-CG 3.34Å; I293-L297 PolarHBondContact O-N 3.47Å; T294-L297 PolarHBondContact O-N 3.02Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 2.86Å; L297-I300 PolarHBondContact O-N 2.88Å; L297-G301 PolarHBondContact O-N 2.92Å |
| 298 | E | 97.9 | Very high | 97.5 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 174 | -72 | 174.8 | 171 | 0 | 0 | 112.4 | T294 S302 | T294-E298 WeakPolarHBondContact O-CG 3.48Å; T294-E298 PolarHBondContact O-N 3.22Å; E298-S302 WeakPolarHBondContact O-CB 3.42Å; E298-S302 PolarHBondContact O-N 3Å; E298-S302 PolarHBondContact O-OG 3.49Å |
| 299 | K | 97.9 | Very high | 97.4 | Very high | 120 Ų | 120 | 103.3 Ų | 103.3 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 173.8 | -75 | 173.8 | -176.7 | 177.3 | 0 | 112.1 | R295 T296 L297 S302 R303 | R295-K299 VanDerWaalsContact O-CG 3.3Å; R295-K299 WeakPolarHBondContact O-CG 3.35Å; R295-K299 PolarHBondContact O-N 2.93Å; R295-K299 VanDerWaalsContact O-N 3.08Å; T296-K299 WeakPolarHBondContact O-CB 3.33Å; T296-K299 PolarHBondContact O-N 3.05Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 2.86Å; K299-S302 WeakPolarHBondContact CA-OG 3.48Å; K299-S302 PolarHBondContact O-OG 3.12Å; K299-R303 WeakPolarHBondContact O-CB 3.34Å; K299-R303 VanDerWaalsContact O-CG 3.31Å; K299-R303 WeakPolarHBondContact O-CG 3.47Å; K299-R303 PolarHBondContact O-N 3Å; K299-R303 VanDerWaalsContact O-N 3.13Å |
| 300 | I | 97.6 | Very high | 97.3 | Very high | 79 Ų | 79 | 103.9 Ų | 103.9 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -52 | 175.7 | -70.6 | 165.4 | 0 | 0 | 0 | 109 | T296 L297 S302 R303 E304 | T296-I300 VanDerWaalsContact O-CG1 3.29Å; T296-I300 WeakPolarHBondContact O-CG1 3.42Å; T296-I300 PolarHBondContact O-N 3.15Å; L297-I300 PolarHBondContact O-N 2.88Å; I300-S302 VanDerWaalsContact C-N 3.3Å; I300-S302 PolarHBondContact O-N 3.37Å; I300-R303 CarbonylContact O-C 3.58Å; I300-R303 WeakPolarHBondContact O-CB 3.22Å; I300-R303 PolarHBondContact O-N 2.87Å; I300-E304 HydrophobicContact CG2-CG 4.23Å; I300-E304 WeakPolarHBondContact CG2-OE1 3.34Å; I300-E304 WeakPolarHBondContact O-CG 3.42Å; I300-E304 PolarHBondContact O-N 3.32Å |
| 301 | G | 97.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 102.7 Ų | 102.7 | 25% | 0.247 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.5 | -34 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L297 K305 | L297-G301 PolarHBondContact O-N 2.92Å; G301-K305 WeakPolarHBondContact O-CB 3.22Å; G301-K305 WeakPolarHBondContact O-CG 3.45Å; G301-K305 PolarHBondContact O-N 3.43Å |
| 302 | S | 97.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 104 Ų | 104 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70 | -39.4 | 173 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | E298 K299 I300 K305 Y306 | E298-S302 WeakPolarHBondContact O-CB 3.42Å; E298-S302 PolarHBondContact O-N 3Å; E298-S302 PolarHBondContact O-OG 3.49Å; K299-S302 WeakPolarHBondContact CA-OG 3.48Å; K299-S302 PolarHBondContact O-OG 3.12Å; I300-S302 VanDerWaalsContact C-N 3.3Å; I300-S302 PolarHBondContact O-N 3.37Å; S302-K305 PolarHBondContact O-N 2.93Å; S302-Y306 WeakPolarHBondContact O-CB 3.45Å; S302-Y306 PolarHBondContact O-N 2.62Å |
| 303 | R | 96.9 | Very high | 97 | Very high | 163 Ų | 163 | 102.4 Ų | 102.4 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 173.5 | -76.3 | 173.6 | 173.3 | 136.4 | -4.8 | 112.4 | K299 I300 Y306 I307 | K299-R303 WeakPolarHBondContact O-CB 3.34Å; K299-R303 VanDerWaalsContact O-CG 3.31Å; K299-R303 WeakPolarHBondContact O-CG 3.47Å; K299-R303 PolarHBondContact O-N 3Å; K299-R303 VanDerWaalsContact O-N 3.13Å; I300-R303 CarbonylContact O-C 3.58Å; I300-R303 WeakPolarHBondContact O-CB 3.22Å; I300-R303 PolarHBondContact O-N 2.87Å; R303-Y306 WeakPolarHBondContact O-CB 3.4Å; R303-Y306 PolarHBondContact O-N 3.45Å; R303-I307 VanDerWaalsContact O-CG1 3.31Å; R303-I307 WeakPolarHBondContact O-CG1 3.4Å; R303-I307 PolarHBondContact O-N 3.45Å |
| 304 | E | 96.6 | Very high | 96.9 | Very high | 110 Ų | 110 | 103.5 Ų | 103.5 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 174.4 | -74 | 175.3 | 174.7 | 0 | 0 | 111 | I300 Y306 I307 N308 | I300-E304 HydrophobicContact CG2-CG 4.23Å; I300-E304 WeakPolarHBondContact CG2-OE1 3.34Å; I300-E304 WeakPolarHBondContact O-CG 3.42Å; I300-E304 PolarHBondContact O-N 3.32Å; E304-Y306 VanDerWaalsContact C-N 3.29Å; E304-Y306 PolarHBondContact O-N 3.19Å; E304-I307 PolarHBondContact O-N 2.95Å; E304-N308 VanDerWaalsContact O-CB 3.3Å; E304-N308 WeakPolarHBondContact O-CB 3.03Å; E304-N308 PolarHBondContact O-N 3.3Å; E304-N308 PolarHBondContact O-ND2 2.96Å |
| 305 | K | 97.4 | Very high | 96.8 | Very high | 151 Ų | 151 | 104.4 Ų | 104.4 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.4 | -41.2 | 174.4 | -76.5 | 176.9 | -178.1 | 179.7 | 0 | 112.3 | G301 S302 N309 | G301-K305 WeakPolarHBondContact O-CB 3.22Å; G301-K305 WeakPolarHBondContact O-CG 3.45Å; G301-K305 PolarHBondContact O-N 3.43Å; S302-K305 PolarHBondContact O-N 2.93Å; K305-N309 WeakPolarHBondContact O-CB 3.4Å; K305-N309 VanDerWaalsContact O-CG 3.29Å; K305-N309 PolarHBondContact O-N 3.01Å |
| 306 | Y | 97 | Very high | 96.7 | Very high | 144 Ų | 144 | 102.6 Ų | 102.6 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -48.5 | 177.2 | 178.9 | -98.4 | 0 | 0 | 0 | 112 | S302 R303 E304 N309 Q310 | S302-Y306 WeakPolarHBondContact O-CB 3.45Å; S302-Y306 PolarHBondContact O-N 2.62Å; R303-Y306 WeakPolarHBondContact O-CB 3.4Å; R303-Y306 PolarHBondContact O-N 3.45Å; E304-Y306 VanDerWaalsContact C-N 3.29Å; E304-Y306 PolarHBondContact O-N 3.19Å; Y306-N309 PolarHBondContact O-N 3.16Å; Y306-Q310 VanDerWaalsContact CE1-CD 3.48Å; Y306-Q310 HydrophobicContact CE1-CG 4.21Å; Y306-Q310 WeakPolarHBondContact O-CG 3.12Å; Y306-Q310 PolarHBondContact O-N 3.34Å; Y306-Q310 PolarHBondContact OH-NE2 2.96Å |
| 307 | I | 96.2 | Very high | 96.7 | Very high | 85 Ų | 85 | 106.1 Ų | 106.1 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 178.1 | -68.7 | 166.7 | 0 | 0 | 0 | 110.4 | R303 E304 N309 Q310 L311 | R303-I307 VanDerWaalsContact O-CG1 3.31Å; R303-I307 WeakPolarHBondContact O-CG1 3.4Å; R303-I307 PolarHBondContact O-N 3.45Å; E304-I307 PolarHBondContact O-N 2.95Å; I307-N309 VanDerWaalsContact C-N 3.34Å; I307-N309 PolarHBondContact O-N 2.95Å; I307-Q310 PolarHBondContact O-N 2.94Å; I307-Q310 VanDerWaalsContact O-N 3.11Å; I307-L311 HydrophobicContact CG2-CD1 3.65Å; I307-L311 HydrophobicContact CG2-CG 4.18Å; I307-L311 WeakPolarHBondContact O-CB 3.43Å; I307-L311 WeakPolarHBondContact O-CG 3.35Å; I307-L311 PolarHBondContact O-N 3.48Å |
| 308 | N | 96.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 108.5 Ų | 108.5 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 177.9 | -72.4 | -16.6 | 0 | 0 | 0 | 111 | E304 Q310 L311 E312 | E304-N308 VanDerWaalsContact O-CB 3.3Å; E304-N308 WeakPolarHBondContact O-CB 3.03Å; E304-N308 PolarHBondContact O-N 3.3Å; E304-N308 PolarHBondContact O-ND2 2.96Å; N308-Q310 VanDerWaalsContact C-N 3.29Å; N308-Q310 PolarHBondContact O-N 3.42Å; N308-L311 PolarHBondContact O-N 2.94Å; N308-L311 VanDerWaalsContact O-N 3.16Å; N308-E312 WeakPolarHBondContact O-CB 3.34Å; N308-E312 PolarHBondContact O-N 3.34Å |
| 309 | N | 96.4 | Very high | 96.7 | Very high | 116 Ų | 116 | 110.5 Ų | 110.5 | 62% | 0.62 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -35.3 | 176.3 | -77.7 | -5.4 | 0 | 0 | 0 | 113.1 | K305 Y306 I307 | K305-N309 WeakPolarHBondContact O-CB 3.4Å; K305-N309 VanDerWaalsContact O-CG 3.29Å; K305-N309 PolarHBondContact O-N 3.01Å; Y306-N309 PolarHBondContact O-N 3.16Å; I307-N309 VanDerWaalsContact C-N 3.34Å; I307-N309 PolarHBondContact O-N 2.95Å |
| 310 | Q | 95.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 107.2 Ų | 107.2 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 175.1 | -72.4 | -164.5 | -43.3 | 0 | 0 | 112.1 | Y306 I307 N308 L314 | Y306-Q310 VanDerWaalsContact CE1-CD 3.48Å; Y306-Q310 HydrophobicContact CE1-CG 4.21Å; Y306-Q310 WeakPolarHBondContact O-CG 3.12Å; Y306-Q310 PolarHBondContact O-N 3.34Å; Y306-Q310 PolarHBondContact OH-NE2 2.96Å; I307-Q310 PolarHBondContact O-N 2.94Å; I307-Q310 VanDerWaalsContact O-N 3.11Å; N308-Q310 VanDerWaalsContact C-N 3.29Å; N308-Q310 PolarHBondContact O-N 3.42Å; Q310-L314 WeakPolarHBondContact O-CD1 3.42Å |
| 311 | L | 94.9 | Very high | 96.6 | Very high | 88 Ų | 88 | 106 Ų | 106 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -80.2 | -24 | -177.8 | -65.8 | 178.2 | 0 | 0 | 0 | 113.1 | I307 N308 N313 L314 V315 | I307-L311 HydrophobicContact CG2-CD1 3.65Å; I307-L311 HydrophobicContact CG2-CG 4.18Å; I307-L311 WeakPolarHBondContact O-CB 3.43Å; I307-L311 WeakPolarHBondContact O-CG 3.35Å; I307-L311 PolarHBondContact O-N 3.48Å; N308-L311 PolarHBondContact O-N 2.94Å; N308-L311 VanDerWaalsContact O-N 3.16Å; L311-N313 VanDerWaalsContact C-N 3.34Å; L311-N313 PolarHBondContact O-N 3.4Å; L311-L314 PolarHBondContact O-N 3.38Å; L311-L314 VanDerWaalsContact O-N 3.14Å; L311-V315 WeakPolarHBondContact O-CB 3.34Å; L311-V315 VanDerWaalsContact O-CG2 3.29Å; L311-V315 WeakPolarHBondContact O-CG2 3.36Å; L311-V315 PolarHBondContact O-N 2.92Å |
| 312 | E | 96.4 | Very high | 96.6 | Very high | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -51.7 | -51.3 | -177.6 | -165.3 | 87.5 | -136.2 | 0 | 0 | 111.4 | N308 V315 Q316 | N308-E312 WeakPolarHBondContact O-CB 3.34Å; N308-E312 PolarHBondContact O-N 3.34Å; E312-V315 PolarHBondContact O-N 3.46Å; E312-Q316 WeakPolarHBondContact O-CB 3.4Å; E312-Q316 PolarHBondContact O-N 2.68Å |
| 313 | N | 95.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 109.3 Ų | 109.3 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 179.7 | -69.7 | -37.5 | 0 | 0 | 0 | 111.8 | L311 V315 Q316 E317 | L311-N313 VanDerWaalsContact C-N 3.34Å; L311-N313 PolarHBondContact O-N 3.4Å; N313-V315 VanDerWaalsContact C-N 3.32Å; N313-V315 PolarHBondContact O-N 3.36Å; N313-Q316 PolarHBondContact O-N 2.98Å; N313-Q316 VanDerWaalsContact O-N 3.17Å; N313-E317 WeakPolarHBondContact O-CG 3.45Å; N313-E317 PolarHBondContact O-N 3.29Å |
| 314 | L | 95.5 | Very high | 96.6 | Very high | 107 Ų | 107 | 107.9 Ų | 107.9 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 178.1 | -86.4 | 76.5 | 0 | 0 | 0 | 111.6 | Q310 L311 Q316 E317 Y318 | Q310-L314 WeakPolarHBondContact O-CD1 3.42Å; L311-L314 PolarHBondContact O-N 3.38Å; L311-L314 VanDerWaalsContact O-N 3.14Å; L314-Q316 VanDerWaalsContact C-N 3.33Å; L314-E317 PolarHBondContact O-N 2.9Å; L314-Y318 WeakPolarHBondContact O-CB 3.48Å; L314-Y318 PolarHBondContact O-N 2.85Å |
| 315 | V | 96.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 107.2 Ų | 107.2 | 39% | 0.394 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | L311 E312 N313 Y318 R319 | L311-V315 WeakPolarHBondContact O-CB 3.34Å; L311-V315 VanDerWaalsContact O-CG2 3.29Å; L311-V315 WeakPolarHBondContact O-CG2 3.36Å; L311-V315 PolarHBondContact O-N 2.92Å; E312-V315 PolarHBondContact O-N 3.46Å; N313-V315 VanDerWaalsContact C-N 3.32Å; N313-V315 PolarHBondContact O-N 3.36Å; V315-Y318 PolarHBondContact O-N 3.32Å; V315-R319 WeakPolarHBondContact O-CB 3.31Å; V315-R319 WeakPolarHBondContact O-CG 3.47Å; V315-R319 PolarHBondContact O-N 3.05Å |
| 316 | Q | 96.8 | Very high | 96.6 | Very high | 129 Ų | 129 | 103.4 Ų | 103.4 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 176.8 | -166.3 | 167.9 | 7.8 | 0 | 0 | 112 | E312 N313 L314 R319 A320 | E312-Q316 WeakPolarHBondContact O-CB 3.4Å; E312-Q316 PolarHBondContact O-N 2.68Å; N313-Q316 PolarHBondContact O-N 2.98Å; N313-Q316 VanDerWaalsContact O-N 3.17Å; L314-Q316 VanDerWaalsContact C-N 3.33Å; Q316-R319 PolarHBondContact O-N 3.47Å; Q316-A320 WeakPolarHBondContact O-CB 3.37Å; Q316-A320 PolarHBondContact O-N 2.99Å |
| 317 | E | 97.2 | Very high | 96.7 | Very high | 133 Ų | 133 | 101 Ų | 101 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 172.8 | -74.3 | 176.8 | -166 | 0 | 0 | 111.6 | N313 L314 R319 A320 A321 | N313-E317 WeakPolarHBondContact O-CG 3.45Å; N313-E317 PolarHBondContact O-N 3.29Å; L314-E317 PolarHBondContact O-N 2.9Å; E317-R319 PolarHBondContact O-N 3.34Å; E317-A320 PolarHBondContact O-N 3.37Å; E317-A321 WeakPolarHBondContact O-CB 3.37Å; E317-A321 PolarHBondContact O-N 2.65Å |
| 318 | Y | 96.6 | Very high | 96.7 | Very high | 156 Ų | 156 | 99.6 Ų | 99.6 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 175.4 | 177.4 | -94.5 | 0 | 0 | 0 | 111.7 | L314 V315 A320 A321 Q322 | L314-Y318 WeakPolarHBondContact O-CB 3.48Å; L314-Y318 PolarHBondContact O-N 2.85Å; V315-Y318 PolarHBondContact O-N 3.32Å; Y318-A320 VanDerWaalsContact C-N 3.34Å; Y318-A320 PolarHBondContact O-N 3.4Å; Y318-A321 PolarHBondContact O-N 3.47Å; Y318-Q322 WeakPolarHBondContact O-CB 3.34Å; Y318-Q322 PolarHBondContact O-N 2.85Å |
| 319 | R | 97.3 | Very high | 96.7 | Very high | 170 Ų | 170 | 101.5 Ų | 101.5 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 175.8 | -76.1 | 177.6 | -179.2 | 170.3 | 3.1 | 111.7 | V315 Q316 E317 Q322 A323 | V315-R319 WeakPolarHBondContact O-CB 3.31Å; V315-R319 WeakPolarHBondContact O-CG 3.47Å; V315-R319 PolarHBondContact O-N 3.05Å; Q316-R319 PolarHBondContact O-N 3.47Å; E317-R319 PolarHBondContact O-N 3.34Å; R319-Q322 PolarHBondContact O-N 2.95Å; R319-A323 PolarHBondContact O-N 2.93Å |
| 320 | A | 97.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 101.4 Ų | 101.4 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q316 E317 Y318 Q322 A323 Q324 | Q316-A320 WeakPolarHBondContact O-CB 3.37Å; Q316-A320 PolarHBondContact O-N 2.99Å; E317-A320 PolarHBondContact O-N 3.37Å; Y318-A320 VanDerWaalsContact C-N 3.34Å; Y318-A320 PolarHBondContact O-N 3.4Å; A320-Q322 VanDerWaalsContact C-N 3.34Å; A320-Q322 PolarHBondContact O-N 3.44Å; A320-A323 PolarHBondContact O-N 3.23Å; A320-Q324 WeakPolarHBondContact O-CG 3.41Å; A320-Q324 PolarHBondContact O-N 2.93Å |
| 321 | A | 97 | Very high | 96.8 | Very high | 54 Ų | 54 | 104.1 Ų | 104.1 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E317 Y318 Q324 L325 | E317-A321 WeakPolarHBondContact O-CB 3.37Å; E317-A321 PolarHBondContact O-N 2.65Å; Y318-A321 PolarHBondContact O-N 3.47Å; A321-Q324 PolarHBondContact O-N 3.47Å; A321-L325 WeakPolarHBondContact O-CB 3.4Å; A321-L325 PolarHBondContact O-N 2.86Å |
| 322 | Q | 97.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 108.1 Ų | 108.1 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.7 | -174.2 | 174.7 | 5.8 | 0 | 0 | 111.9 | Y318 R319 A320 L325 S326 | Y318-Q322 WeakPolarHBondContact O-CB 3.34Å; Y318-Q322 PolarHBondContact O-N 2.85Å; R319-Q322 PolarHBondContact O-N 2.95Å; A320-Q322 VanDerWaalsContact C-N 3.34Å; A320-Q322 PolarHBondContact O-N 3.44Å; Q322-L325 PolarHBondContact O-N 3.42Å; Q322-S326 PolarHBondContact O-N 2.84Å |
| 323 | A | 97.6 | Very high | 96.9 | Very high | 55 Ų | 55 | 109.3 Ų | 109.3 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R319 A320 L325 S326 E327 | R319-A323 PolarHBondContact O-N 2.93Å; A320-A323 PolarHBondContact O-N 3.23Å; A323-L325 VanDerWaalsContact C-N 3.32Å; A323-L325 PolarHBondContact O-N 3.37Å; A323-S326 PolarHBondContact O-N 2.97Å; A323-S326 VanDerWaalsContact O-N 3.16Å; A323-S326 PolarHBondContact O-OG 3.42Å; A323-E327 PolarHBondContact O-N 3.11Å |
| 324 | Q | 97.7 | Very high | 96.9 | Very high | 134 Ų | 134 | 110.6 Ų | 110.6 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.1 | -40.2 | 175.5 | -71.5 | 177.8 | -1.7 | 0 | 0 | 112.4 | A320 A321 E327 A328 | A320-Q324 WeakPolarHBondContact O-CG 3.41Å; A320-Q324 PolarHBondContact O-N 2.93Å; A321-Q324 PolarHBondContact O-N 3.47Å; Q324-E327 PolarHBondContact O-N 2.89Å; Q324-A328 WeakPolarHBondContact O-CB 3.34Å; Q324-A328 PolarHBondContact O-N 3.34Å |
| 325 | L | 96.9 | Very high | 96.9 | Very high | 96 Ų | 96 | 107.4 Ų | 107.4 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.1 | -176.3 | 76.6 | 0 | 0 | 0 | 111.5 | A321 Q322 A323 E327 A328 K329 | A321-L325 WeakPolarHBondContact O-CB 3.4Å; A321-L325 PolarHBondContact O-N 2.86Å; Q322-L325 PolarHBondContact O-N 3.42Å; A323-L325 VanDerWaalsContact C-N 3.32Å; A323-L325 PolarHBondContact O-N 3.37Å; L325-E327 VanDerWaalsContact C-N 3.35Å; L325-A328 PolarHBondContact O-N 2.82Å; L325-K329 HydrophobicContact CG-CD 4.42Å; L325-K329 WeakPolarHBondContact O-CB 3.49Å; L325-K329 WeakPolarHBondContact O-CG 3.29Å; L325-K329 PolarHBondContact O-N 3.46Å |
| 326 | S | 96.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 108.2 Ų | 108.2 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.7 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | Q322 A323 K329 E330 | Q322-S326 PolarHBondContact O-N 2.84Å; A323-S326 PolarHBondContact O-N 2.97Å; A323-S326 VanDerWaalsContact O-N 3.16Å; A323-S326 PolarHBondContact O-OG 3.42Å; S326-K329 PolarHBondContact O-N 2.72Å; S326-E330 PolarHBondContact O-N 3.11Å |
| 327 | E | 98.1 | Very high | 96.8 | Very high | 92 Ų | 92 | 104 Ų | 104 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 176.6 | -172.4 | -175.2 | 174.8 | 0 | 0 | 111.4 | A323 Q324 L325 K329 E330 R331 | A323-E327 PolarHBondContact O-N 3.11Å; Q324-E327 PolarHBondContact O-N 2.89Å; L325-E327 VanDerWaalsContact C-N 3.35Å; E327-K329 VanDerWaalsContact C-N 3.35Å; E327-K329 PolarHBondContact O-N 3.14Å; E327-E330 PolarHBondContact O-N 3.16Å; E327-R331 WeakPolarHBondContact O-CG 3.33Å; E327-R331 PolarHBondContact O-N 3.02Å; E327-R331 IonicContact OE1-CZ 3.49Å; E327-R331 VanDerWaalsContact OE1-CZ 3.29Å; E327-R331 IonicContact OE1-NE 3.39Å; E327-R331 PolarHBondContact OE1-NE 2.93Å; E327-R331 IonicContact OE1-NH2 3.36Å; E327-R331 PolarHBondContact OE1-NH2 2.8Å |
| 328 | A | 97.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 98.8 Ų | 98.8 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q324 L325 R331 Y332 | Q324-A328 WeakPolarHBondContact O-CB 3.34Å; Q324-A328 PolarHBondContact O-N 3.34Å; L325-A328 PolarHBondContact O-N 2.82Å; A328-R331 PolarHBondContact O-N 3.49Å; A328-Y332 WeakPolarHBondContact O-CB 3.47Å; A328-Y332 PolarHBondContact O-N 3.08Å |
| 329 | K | 97 | Very high | 96.8 | Very high | 134 Ų | 134 | 95.3 Ų | 95.3 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 174.9 | -78.3 | -179.7 | 177 | -177.3 | 0 | 111.8 | L325 S326 E327 Y332 Q333 | L325-K329 HydrophobicContact CG-CD 4.42Å; L325-K329 WeakPolarHBondContact O-CB 3.49Å; L325-K329 WeakPolarHBondContact O-CG 3.29Å; L325-K329 PolarHBondContact O-N 3.46Å; S326-K329 PolarHBondContact O-N 2.72Å; E327-K329 VanDerWaalsContact C-N 3.35Å; E327-K329 PolarHBondContact O-N 3.14Å; K329-Y332 PolarHBondContact O-N 3.32Å; K329-Q333 WeakPolarHBondContact O-CB 3.36Å; K329-Q333 PolarHBondContact O-N 3.17Å |
| 330 | E | 97.2 | Very high | 96.7 | Very high | 113 Ų | 113 | 91.1 Ų | 91.1 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 177.3 | -168.8 | -176.6 | 169.5 | 0 | 0 | 111.1 | S326 E327 Y332 Q333 Q334 | S326-E330 PolarHBondContact O-N 3.11Å; E327-E330 PolarHBondContact O-N 3.16Å; E330-Y332 VanDerWaalsContact C-N 3.31Å; E330-Y332 PolarHBondContact O-N 3.33Å; E330-Q333 PolarHBondContact O-N 2.67Å; E330-Q333 VanDerWaalsContact O-N 3.15Å; E330-Q334 WeakPolarHBondContact O-CG 3.46Å; E330-Q334 PolarHBondContact O-N 3.17Å; E330-Q334 PolarHBondContact OE1-NE2 2.95Å |
| 331 | R | 96.6 | Very high | 96.7 | Very high | 163 Ų | 163 | 92.8 Ų | 92.8 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 174.9 | -71.4 | 180 | -176.1 | -162 | 2.7 | 112.2 | E327 A328 G335 | E327-R331 WeakPolarHBondContact O-CG 3.33Å; E327-R331 PolarHBondContact O-N 3.02Å; E327-R331 IonicContact OE1-CZ 3.49Å; E327-R331 VanDerWaalsContact OE1-CZ 3.29Å; E327-R331 IonicContact OE1-NE 3.39Å; E327-R331 PolarHBondContact OE1-NE 2.93Å; E327-R331 IonicContact OE1-NH2 3.36Å; E327-R331 PolarHBondContact OE1-NH2 2.8Å; A328-R331 PolarHBondContact O-N 3.49Å; R331-G335 PolarHBondContact O-N 3.02Å |
| 332 | Y | 96.3 | Very high | 96.6 | Very high | 171 Ų | 171 | 98.7 Ų | 98.7 | 67% | 0.671 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 175.2 | 178 | -96.3 | 0 | 0 | 0 | 111.6 | A328 K329 E330 G335 N336 | A328-Y332 WeakPolarHBondContact O-CB 3.47Å; A328-Y332 PolarHBondContact O-N 3.08Å; K329-Y332 PolarHBondContact O-N 3.32Å; E330-Y332 VanDerWaalsContact C-N 3.31Å; E330-Y332 PolarHBondContact O-N 3.33Å; Y332-G335 PolarHBondContact O-N 3.22Å; Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 2.71Å |
| 333 | Q | 95.9 | Very high | 96.6 | Very high | 142 Ų | 142 | 97.4 Ų | 97.4 | 66% | 0.664 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 178.9 | -170.5 | 171.4 | 7.6 | 0 | 0 | 112 | K329 E330 N336 G337 | K329-Q333 WeakPolarHBondContact O-CB 3.36Å; K329-Q333 PolarHBondContact O-N 3.17Å; E330-Q333 PolarHBondContact O-N 2.67Å; E330-Q333 VanDerWaalsContact O-N 3.15Å; Q333-N336 PolarHBondContact O-N 3.26Å; Q333-G337 PolarHBondContact O-N 3.05Å |
| 334 | Q | 95.9 | Very high | 96.5 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 172.8 | -70 | 176.7 | 13.3 | 0 | 0 | 111.3 | E330 G337 G338 | E330-Q334 WeakPolarHBondContact O-CG 3.46Å; E330-Q334 PolarHBondContact O-N 3.17Å; E330-Q334 PolarHBondContact OE1-NE2 2.95Å; Q334-G337 PolarHBondContact O-N 3.21Å; Q334-G338 PolarHBondContact O-N 3.49Å |
| 335 | G | 95.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 97.8 Ų | 97.8 | 42% | 0.423 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R331 Y332 G337 G338 V339 | R331-G335 PolarHBondContact O-N 3.02Å; Y332-G335 PolarHBondContact O-N 3.22Å; G335-G337 PolarHBondContact O-N 2.86Å; G335-G338 CarbonylContact O-C 3.57Å; G335-G338 PolarHBondContact O-N 2.93Å; G335-V339 WeakPolarHBondContact O-CG2 3.5Å; G335-V339 PolarHBondContact O-N 3.39Å |
| 336 | N | 95.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 98.2 Ų | 98.2 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.9 | -168.8 | 54.9 | 0 | 0 | 0 | 112.2 | Y332 Q333 G338 V339 T340 | Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 2.71Å; Q333-N336 PolarHBondContact O-N 3.26Å; N336-G338 VanDerWaalsContact C-N 3.35Å; N336-V339 PolarHBondContact O-N 2.82Å; N336-T340 WeakPolarHBondContact O-CB 3.4Å; N336-T340 PolarHBondContact O-N 2.88Å; N336-T340 PolarHBondContact O-OG1 2.82Å |
| 337 | G | 95.6 | Very high | 96.5 | Very high | 40 Ų | 40 | 97.6 Ų | 97.6 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q333 Q334 G335 V339 T340 E341 | Q333-G337 PolarHBondContact O-N 3.05Å; Q334-G337 PolarHBondContact O-N 3.21Å; G335-G337 PolarHBondContact O-N 2.86Å; G337-V339 VanDerWaalsContact C-N 3.34Å; G337-V339 PolarHBondContact O-N 3Å; G337-T340 PolarHBondContact O-N 3.13Å; G337-E341 PolarHBondContact O-N 3.36Å |
| 338 | G | 96 | Very high | 96.5 | Very high | 23 Ų | 23 | 96.9 Ų | 96.9 | 24% | 0.237 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67.2 | -28.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q334 G335 N336 R342 | Q334-G338 PolarHBondContact O-N 3.49Å; G335-G338 CarbonylContact O-C 3.57Å; G335-G338 PolarHBondContact O-N 2.93Å; N336-G338 VanDerWaalsContact C-N 3.35Å; G338-R342 VanDerWaalsContact O-CG 3.31Å; G338-R342 WeakPolarHBondContact O-CG 3.4Å; G338-R342 PolarHBondContact O-N 3.29Å; G338-R342 PolarHBondContact O-NH1 3.03Å; G338-R342 VanDerWaalsContact O-NH1 3.16Å |
| 339 | V | 97.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 98.6 Ų | 98.6 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.6 | -47.1 | 171 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | G335 N336 G337 E341 R342 T343 | G335-V339 WeakPolarHBondContact O-CG2 3.5Å; G335-V339 PolarHBondContact O-N 3.39Å; N336-V339 PolarHBondContact O-N 2.82Å; G337-V339 VanDerWaalsContact C-N 3.34Å; G337-V339 PolarHBondContact O-N 3Å; V339-E341 VanDerWaalsContact C-N 3.31Å; V339-E341 PolarHBondContact O-N 2.99Å; V339-R342 PolarHBondContact O-N 3.36Å; V339-R342 VanDerWaalsContact O-N 3.13Å; V339-T343 PolarHBondContact O-N 3.03Å; V339-T343 PolarHBondContact O-OG1 3.08Å; V339-T343 VanDerWaalsContact O-OG1 3.07Å |
| 340 | T | 95.6 | Very high | 96.5 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 179.6 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | N336 G337 T343 R344 | N336-T340 WeakPolarHBondContact O-CB 3.4Å; N336-T340 PolarHBondContact O-N 2.88Å; N336-T340 PolarHBondContact O-OG1 2.82Å; G337-T340 PolarHBondContact O-N 3.13Å; T340-T343 PolarHBondContact O-N 3.24Å; T340-R344 WeakPolarHBondContact O-CB 3.46Å; T340-R344 PolarHBondContact O-N 3.06Å |
| 341 | E | 96.3 | Very high | 96.5 | Very high | 86 Ų | 86 | 99 Ų | 99 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 177.2 | -173.4 | 60.5 | -168.5 | 0 | 0 | 112.1 | G337 V339 T343 R344 L345 | G337-E341 PolarHBondContact O-N 3.36Å; V339-E341 VanDerWaalsContact C-N 3.31Å; V339-E341 PolarHBondContact O-N 2.99Å; E341-T343 VanDerWaalsContact C-N 3.35Å; E341-T343 PolarHBondContact O-N 2.97Å; E341-R344 WeakPolarHBondContact O-CB 3.38Å; E341-R344 PolarHBondContact O-N 3.11Å; E341-R344 IonicContact OE1-CZ 3.88Å; E341-R344 IonicContact OE1-NE 3.94Å; E341-R344 PolarHBondContact OE1-NE 3.32Å; E341-R344 IonicContact OE1-NH2 3.49Å; E341-R344 PolarHBondContact OE1-NH2 2.87Å; E341-R344 IonicContact OE2-CZ 2.98Å; E341-R344 IonicContact OE2-NE 2.81Å; E341-R344 PolarHBondContact OE2-NE 3.13Å; E341-R344 IonicContact OE2-NH2 2.69Å; E341-L345 HydrophobicContact CG-CD1 4.43Å; E341-L345 WeakPolarHBondContact O-CG 3.45Å; E341-L345 PolarHBondContact O-N 3.5Å |
| 342 | R | 95.7 | Very high | 96.5 | Very high | 178 Ų | 178 | 97.7 Ų | 97.7 | 67% | 0.672 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.6 | -38.2 | 174.2 | -76.7 | 178.4 | 177.5 | 91.9 | -4.1 | 112.4 | G338 V339 R344 L346 | G338-R342 VanDerWaalsContact O-CG 3.31Å; G338-R342 WeakPolarHBondContact O-CG 3.4Å; G338-R342 PolarHBondContact O-N 3.29Å; G338-R342 PolarHBondContact O-NH1 3.03Å; G338-R342 VanDerWaalsContact O-NH1 3.16Å; V339-R342 PolarHBondContact O-N 3.36Å; V339-R342 VanDerWaalsContact O-N 3.13Å; R342-R344 VanDerWaalsContact C-N 3.33Å; R342-L346 VanDerWaalsContact O-CB 3.28Å; R342-L346 WeakPolarHBondContact O-CB 3.29Å; R342-L346 PolarHBondContact O-N 3.24Å |
| 343 | T | 96.4 | Very high | 96.5 | Very high | 80 Ų | 80 | 95.2 Ų | 95.2 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 174.4 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | V339 T340 E341 L346 S347 | V339-T343 PolarHBondContact O-N 3.03Å; V339-T343 PolarHBondContact O-OG1 3.08Å; V339-T343 VanDerWaalsContact O-OG1 3.07Å; T340-T343 PolarHBondContact O-N 3.24Å; E341-T343 VanDerWaalsContact C-N 3.35Å; E341-T343 PolarHBondContact O-N 2.97Å; T343-L346 PolarHBondContact O-N 3.33Å; T343-S347 PolarHBondContact O-N 2.7Å; T343-S347 PolarHBondContact O-OG 3.26Å |
| 344 | R | 97.1 | Very high | 96.5 | Very high | 118 Ų | 118 | 93 Ų | 93 | 45% | 0.445 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -52.4 | 174.1 | -167.7 | 178.9 | 80.1 | 80.5 | 9.3 | 111.2 | T340 E341 R342 L346 S347 E348 | T340-R344 WeakPolarHBondContact O-CB 3.46Å; T340-R344 PolarHBondContact O-N 3.06Å; E341-R344 WeakPolarHBondContact O-CB 3.38Å; E341-R344 PolarHBondContact O-N 3.11Å; E341-R344 IonicContact OE1-CZ 3.88Å; E341-R344 IonicContact OE1-NE 3.94Å; E341-R344 PolarHBondContact OE1-NE 3.32Å; E341-R344 IonicContact OE1-NH2 3.49Å; E341-R344 PolarHBondContact OE1-NH2 2.87Å; E341-R344 IonicContact OE2-CZ 2.98Å; E341-R344 IonicContact OE2-NE 2.81Å; E341-R344 PolarHBondContact OE2-NE 3.13Å; E341-R344 IonicContact OE2-NH2 2.69Å; R342-R344 VanDerWaalsContact C-N 3.33Å; R344-L346 VanDerWaalsContact C-N 3.31Å; R344-L346 PolarHBondContact O-N 2.87Å; R344-S347 WeakPolarHBondContact O-CB 3.49Å; R344-S347 PolarHBondContact O-N 3.03Å; R344-S347 VanDerWaalsContact O-N 3.1Å; R344-E348 IonicContact CZ-OE1 3.76Å; R344-E348 IonicContact NH1-OE1 3.84Å; R344-E348 PolarHBondContact NH1-OE1 3.08Å; R344-E348 IonicContact NH2-OE1 2.68Å; R344-E348 PolarHBondContact O-N 3.23Å |
| 345 | L | 97.3 | Very high | 96.5 | Very high | 79 Ų | 79 | 93.4 Ų | 93.4 | 41% | 0.414 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 176.8 | -69.5 | 172.2 | 0 | 0 | 0 | 112.3 | E341 S347 E348 V349 | E341-L345 HydrophobicContact CG-CD1 4.43Å; E341-L345 WeakPolarHBondContact O-CG 3.45Å; E341-L345 PolarHBondContact O-N 3.5Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3.2Å; L345-E348 PolarHBondContact O-N 3.4Å; L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 3.41Å |
| 346 | L | 97.1 | Very high | 96.6 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.2 | -170.4 | 150.2 | 0 | 0 | 0 | 111.1 | R342 T343 R344 V349 M350 | R342-L346 VanDerWaalsContact O-CB 3.28Å; R342-L346 WeakPolarHBondContact O-CB 3.29Å; R342-L346 PolarHBondContact O-N 3.24Å; T343-L346 PolarHBondContact O-N 3.33Å; R344-L346 VanDerWaalsContact C-N 3.31Å; R344-L346 PolarHBondContact O-N 2.87Å; L346-V349 PolarHBondContact O-N 2.81Å; L346-M350 HydrophobicContact CD2-CG 3.93Å; L346-M350 HydrophobicContact CD2-SD 3.73Å; L346-M350 WeakPolarHBondContact O-CB 3.31Å; L346-M350 VanDerWaalsContact O-CG 3.29Å; L346-M350 WeakPolarHBondContact O-CG 3.46Å; L346-M350 PolarHBondContact O-N 3.46Å |
| 347 | S | 96.6 | Very high | 96.6 | Very high | 59 Ų | 59 | 96.7 Ų | 96.7 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | T343 R344 L345 M350 E351 | T343-S347 PolarHBondContact O-N 2.7Å; T343-S347 PolarHBondContact O-OG 3.26Å; R344-S347 WeakPolarHBondContact O-CB 3.49Å; R344-S347 PolarHBondContact O-N 3.03Å; R344-S347 VanDerWaalsContact O-N 3.1Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3.2Å; S347-M350 PolarHBondContact O-N 2.9Å; S347-E351 PolarHBondContact O-N 2.97Å |
| 348 | E | 97.5 | Very high | 96.6 | Very high | 77 Ų | 77 | 100.2 Ų | 100.2 | 36% | 0.36 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 174 | -72.5 | 174.7 | -180 | 0 | 0 | 111.3 | R344 L345 M350 E351 E352 | R344-E348 IonicContact CZ-OE1 3.76Å; R344-E348 IonicContact NH1-OE1 3.84Å; R344-E348 PolarHBondContact NH1-OE1 3.08Å; R344-E348 IonicContact NH2-OE1 2.68Å; R344-E348 PolarHBondContact O-N 3.23Å; L345-E348 PolarHBondContact O-N 3.4Å; E348-M350 VanDerWaalsContact C-N 3.32Å; E348-M350 PolarHBondContact O-N 2.86Å; E348-E351 PolarHBondContact O-N 2.87Å; E348-E351 VanDerWaalsContact O-N 3.15Å; E348-E352 WeakPolarHBondContact O-CG 3.31Å; E348-E352 PolarHBondContact O-N 2.9Å |
| 349 | V | 97.5 | Very high | 96.5 | Very high | 91 Ų | 91 | 103.1 Ų | 103.1 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -35.9 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | L345 L346 E352 L353 | L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 3.41Å; L346-V349 PolarHBondContact O-N 2.81Å; V349-E352 PolarHBondContact O-N 3.29Å; V349-L353 WeakPolarHBondContact O-CB 3.47Å; V349-L353 PolarHBondContact O-N 2.97Å |
| 350 | M | 96.4 | Very high | 96.2 | Very high | 110 Ų | 110 | 105.8 Ų | 105.8 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 173.6 | -74.7 | -164.7 | -24.4 | 0 | 0 | 112.1 | L346 S347 E348 L353 E354 | L346-M350 HydrophobicContact CD2-CG 3.93Å; L346-M350 HydrophobicContact CD2-SD 3.73Å; L346-M350 WeakPolarHBondContact O-CB 3.31Å; L346-M350 VanDerWaalsContact O-CG 3.29Å; L346-M350 WeakPolarHBondContact O-CG 3.46Å; L346-M350 PolarHBondContact O-N 3.46Å; S347-M350 PolarHBondContact O-N 2.9Å; E348-M350 VanDerWaalsContact C-N 3.32Å; E348-M350 PolarHBondContact O-N 2.86Å; M350-L353 PolarHBondContact O-N 2.92Å; M350-E354 PolarHBondContact O-N 3.26Å |
| 351 | E | 97.2 | Very high | 96.1 | Very high | 147 Ų | 147 | 108.2 Ų | 108.2 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 176.3 | -171 | 174.1 | -177.3 | 0 | 0 | 111.2 | S347 E348 L353 E354 K355 | S347-E351 PolarHBondContact O-N 2.97Å; E348-E351 PolarHBondContact O-N 2.87Å; E348-E351 VanDerWaalsContact O-N 3.15Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.96Å; E351-E354 PolarHBondContact O-N 3.48Å; E351-K355 WeakPolarHBondContact O-CB 3.3Å; E351-K355 PolarHBondContact O-N 2.96Å |
| 352 | E | 97.2 | Very high | 95.8 | Very high | 134 Ų | 134 | 110 Ų | 110 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60 | -42 | 171.9 | -71.7 | -173.5 | 166.9 | 0 | 0 | 111.9 | E348 V349 K355 V356 | E348-E352 WeakPolarHBondContact O-CG 3.31Å; E348-E352 PolarHBondContact O-N 2.9Å; V349-E352 PolarHBondContact O-N 3.29Å; E352-K355 PolarHBondContact O-N 3.42Å; E352-V356 WeakPolarHBondContact O-CG2 3.39Å; E352-V356 PolarHBondContact O-N 3.47Å |
| 353 | L | 96.4 | Very high | 95.4 | Very high | 120 Ų | 120 | 108.3 Ų | 108.3 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | 176.8 | -173 | 77.5 | 0 | 0 | 0 | 111.7 | V349 M350 E351 K355 V356 K357 | V349-L353 WeakPolarHBondContact O-CB 3.47Å; V349-L353 PolarHBondContact O-N 2.97Å; M350-L353 PolarHBondContact O-N 2.92Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.96Å; L353-K355 VanDerWaalsContact C-N 3.32Å; L353-V356 PolarHBondContact O-N 3.12Å; L353-K357 WeakPolarHBondContact O-CB 3.48Å; L353-K357 PolarHBondContact O-N 2.8Å |
| 354 | E | 96.1 | Very high | 95 | Very high | 96 Ų | 96 | 106.1 Ų | 106.1 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 178.6 | -168 | 60 | -151.3 | 0 | 0 | 111.1 | M350 E351 K357 Q358 | M350-E354 PolarHBondContact O-N 3.26Å; E351-E354 PolarHBondContact O-N 3.48Å; E354-K357 VanDerWaalsContact CD-NZ 3.3Å; E354-K357 PolarHBondContact O-N 3.21Å; E354-K357 IonicContact OE1-NZ 3.77Å; E354-K357 PolarHBondContact OE1-NZ 3.5Å; E354-K357 IonicContact OE2-NZ 3.93Å; E354-K357 PolarHBondContact OE2-NZ 3.27Å; E354-Q358 WeakPolarHBondContact O-CB 3.44Å; E354-Q358 PolarHBondContact O-N 2.77Å |
| 355 | K | 96.7 | Very high | 94.4 | Very high | 131 Ų | 131 | 103.9 Ų | 103.9 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 172.1 | -174.7 | -178.6 | 176.8 | -176.1 | 0 | 111.8 | E351 E352 L353 K357 Q358 E359 | E351-K355 WeakPolarHBondContact O-CB 3.3Å; E351-K355 PolarHBondContact O-N 2.96Å; E352-K355 PolarHBondContact O-N 3.42Å; L353-K355 VanDerWaalsContact C-N 3.32Å; K355-K357 VanDerWaalsContact C-N 3.29Å; K355-K357 PolarHBondContact O-N 2.82Å; K355-Q358 PolarHBondContact O-N 3.3Å; K355-E359 WeakPolarHBondContact CE-OE1 3.38Å; K355-E359 WeakPolarHBondContact O-CG 3.47Å; K355-E359 PolarHBondContact O-N 2.9Å |
| 356 | V | 96.5 | Very high | 93.7 | Very high | 90 Ų | 90 | 104.1 Ų | 104.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | E352 L353 E359 M360 | E352-V356 WeakPolarHBondContact O-CG2 3.39Å; E352-V356 PolarHBondContact O-N 3.47Å; L353-V356 PolarHBondContact O-N 3.12Å; V356-E359 PolarHBondContact O-N 3.02Å; V356-M360 WeakPolarHBondContact O-CB 3.38Å; V356-M360 PolarHBondContact O-N 2.93Å |
| 357 | K | 95.9 | Very high | 92.8 | Very high | 102 Ų | 102 | 107.4 Ų | 107.4 | 44% | 0.443 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.5 | 177.6 | 171.2 | 151.1 | -111 | 0 | 111.7 | L353 E354 K355 M360 E361 | L353-K357 WeakPolarHBondContact O-CB 3.48Å; L353-K357 PolarHBondContact O-N 2.8Å; E354-K357 VanDerWaalsContact CD-NZ 3.3Å; E354-K357 PolarHBondContact O-N 3.21Å; E354-K357 IonicContact OE1-NZ 3.77Å; E354-K357 PolarHBondContact OE1-NZ 3.5Å; E354-K357 IonicContact OE2-NZ 3.93Å; E354-K357 PolarHBondContact OE2-NZ 3.27Å; K355-K357 VanDerWaalsContact C-N 3.29Å; K355-K357 PolarHBondContact O-N 2.82Å; K357-M360 WeakPolarHBondContact O-CB 3.37Å; K357-M360 PolarHBondContact O-N 2.99Å; K357-E361 WeakPolarHBondContact O-CB 3.46Å; K357-E361 PolarHBondContact O-N 2.88Å |
| 358 | Q | 95.3 | Very high | 91.9 | Very high | 115 Ų | 115 | 110.1 Ų | 110.1 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.3 | -43.7 | 175.9 | -170.7 | 169.6 | 11.5 | 0 | 0 | 111.6 | E354 K355 M360 E361 E362 | E354-Q358 WeakPolarHBondContact O-CB 3.44Å; E354-Q358 PolarHBondContact O-N 2.77Å; K355-Q358 PolarHBondContact O-N 3.3Å; Q358-M360 VanDerWaalsContact C-N 3.29Å; Q358-M360 PolarHBondContact O-N 2.91Å; Q358-E361 PolarHBondContact O-N 3.4Å; Q358-E362 WeakPolarHBondContact O-CB 3.3Å; Q358-E362 PolarHBondContact O-N 3.1Å |
| 359 | E | 94.7 | Very high | 91 | Very high | 84 Ų | 84 | 110.7 Ų | 110.7 | 39% | 0.393 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -37.3 | 173.2 | -72.9 | -178.8 | -165 | 0 | 0 | 112.1 | K355 V356 K363 | K355-E359 WeakPolarHBondContact CE-OE1 3.38Å; K355-E359 WeakPolarHBondContact O-CG 3.47Å; K355-E359 PolarHBondContact O-N 2.9Å; V356-E359 PolarHBondContact O-N 3.02Å; E359-K363 WeakPolarHBondContact O-CB 3.37Å; E359-K363 VanDerWaalsContact O-CG 3.3Å; E359-K363 WeakPolarHBondContact O-CG 3.46Å; E359-K363 PolarHBondContact O-N 3.41Å |
| 360 | M | 91.5 | Very high | 90.1 | Very high | 139 Ų | 139 | 108.1 Ų | 108.1 | 69% | 0.685 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.9 | -38.9 | 175.8 | -165.7 | -177.8 | 87.9 | 0 | 0 | 111.6 | V356 K357 Q358 G364 | V356-M360 WeakPolarHBondContact O-CB 3.38Å; V356-M360 PolarHBondContact O-N 2.93Å; K357-M360 WeakPolarHBondContact O-CB 3.37Å; K357-M360 PolarHBondContact O-N 2.99Å; Q358-M360 VanDerWaalsContact C-N 3.29Å; Q358-M360 PolarHBondContact O-N 2.91Å; M360-G364 PolarHBondContact O-N 2.91Å |
| 361 | E | 91.9 | Very high | 89.4 | Confident | 132 Ų | 132 | 105.3 Ų | 105.3 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.9 | -37.5 | 177.3 | -167.8 | 168.2 | -168.3 | 0 | 0 | 112.1 | K357 Q358 G364 S365 | K357-E361 WeakPolarHBondContact O-CB 3.46Å; K357-E361 PolarHBondContact O-N 2.88Å; Q358-E361 PolarHBondContact O-N 3.4Å; E361-G364 PolarHBondContact O-N 3.42Å; E361-S365 WeakPolarHBondContact O-CB 3.32Å; E361-S365 PolarHBondContact O-N 2.83Å; E361-S365 PolarHBondContact O-OG 3.05Å |
| 362 | E | 90.3 | Very high | 88.6 | Confident | 123 Ų | 123 | 101.8 Ų | 101.8 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 169.9 | -79.6 | -173.7 | 167.8 | 0 | 0 | 111.7 | Q358 G364 S365 S366 | Q358-E362 WeakPolarHBondContact O-CB 3.3Å; Q358-E362 PolarHBondContact O-N 3.1Å; E362-G364 VanDerWaalsContact C-N 3.34Å; E362-S365 WeakPolarHBondContact CA-OG 3.44Å; E362-S365 PolarHBondContact O-OG 3.22Å; E362-S366 VanDerWaalsContact O-CB 3.22Å; E362-S366 WeakPolarHBondContact O-CB 3.42Å; E362-S366 PolarHBondContact O-N 2.93Å |
| 363 | K | 88.4 | Confident | 87.9 | Confident | 144 Ų | 144 | 101.7 Ų | 101.7 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -39.7 | 174.2 | -76 | 175.1 | -177.3 | 165.1 | 0 | 111.7 | E359 S366 M367 | E359-K363 WeakPolarHBondContact O-CB 3.37Å; E359-K363 VanDerWaalsContact O-CG 3.3Å; E359-K363 WeakPolarHBondContact O-CG 3.46Å; E359-K363 PolarHBondContact O-N 3.41Å; K363-S366 PolarHBondContact O-N 3.45Å; K363-M367 VanDerWaalsContact O-CB 3.28Å; K363-M367 WeakPolarHBondContact O-CB 3.41Å; K363-M367 PolarHBondContact O-N 2.84Å |
| 364 | G | 88.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 99.7 Ų | 99.7 | 34% | 0.34 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M360 E361 E362 M367 T368 | M360-G364 PolarHBondContact O-N 2.91Å; E361-G364 PolarHBondContact O-N 3.42Å; E362-G364 VanDerWaalsContact C-N 3.34Å; G364-M367 PolarHBondContact O-N 3.12Å; G364-T368 WeakPolarHBondContact O-CB 3.39Å; G364-T368 PolarHBondContact O-N 3.35Å; G364-T368 PolarHBondContact O-OG1 3.03Å |
| 365 | S | 84.8 | Confident | 87 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 50% | 0.497 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 175.6 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | E361 E362 M367 T368 D369 | E361-S365 WeakPolarHBondContact O-CB 3.32Å; E361-S365 PolarHBondContact O-N 2.83Å; E361-S365 PolarHBondContact O-OG 3.05Å; E362-S365 WeakPolarHBondContact CA-OG 3.44Å; E362-S365 PolarHBondContact O-OG 3.22Å; S365-M367 PolarHBondContact O-N 3.26Å; S365-T368 CarbonylContact O-C 3.6Å; S365-T368 PolarHBondContact O-N 3.48Å; S365-D369 WeakPolarHBondContact O-CA 3.34Å; S365-D369 WeakPolarHBondContact O-CB 3.48Å; S365-D369 PolarHBondContact O-N 3.34Å |
| 366 | S | 82.6 | Confident | 86.6 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 59% | 0.594 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.3 | -37.6 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 113.3 | E362 K363 | E362-S366 VanDerWaalsContact O-CB 3.22Å; E362-S366 WeakPolarHBondContact O-CB 3.42Å; E362-S366 PolarHBondContact O-N 2.93Å; K363-S366 PolarHBondContact O-N 3.45Å |
| 367 | M | 76.3 | Confident | 86.3 | Confident | 172 Ų | 172 | 104.1 Ų | 104.1 | 85% | 0.847 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77.3 | -27.3 | 179.8 | -157.6 | -179.9 | 90.4 | 0 | 0 | 112 | K363 G364 S365 | K363-M367 VanDerWaalsContact O-CB 3.28Å; K363-M367 WeakPolarHBondContact O-CB 3.41Å; K363-M367 PolarHBondContact O-N 2.84Å; G364-M367 PolarHBondContact O-N 3.12Å; S365-M367 PolarHBondContact O-N 3.26Å |
| 368 | T | 79.1 | Confident | 86.1 | Confident | 116 Ų | 116 | 105.3 Ų | 105.3 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -90.4 | -16.3 | 177.2 | -36.4 | 0 | 0 | 0 | 0 | 112.2 | G364 S365 G370 | G364-T368 WeakPolarHBondContact O-CB 3.39Å; G364-T368 PolarHBondContact O-N 3.35Å; G364-T368 PolarHBondContact O-OG1 3.03Å; S365-T368 CarbonylContact O-C 3.6Å; S365-T368 PolarHBondContact O-N 3.48Å; T368-G370 PolarHBondContact O-N 3Å |
| 369 | D | 77.3 | Confident | 86 | Confident | 90 Ų | 90 | 102.9 Ų | 102.9 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | trans | -68.1 | 98.4 | 174.6 | -174.8 | 14.7 | 0 | 0 | 0 | 109.4 | S365 A371 P372 | S365-D369 WeakPolarHBondContact O-CA 3.34Å; S365-D369 WeakPolarHBondContact O-CB 3.48Å; S365-D369 PolarHBondContact O-N 3.34Å; D369-A371 PolarHBondContact O-N 3.5Å; D369-A371 WeakPolarHBondContact OD1-CB 3.28Å; D369-A371 PolarHBondContact OD1-N 2.9Å; D369-P372 WeakPolarHBondContact O-CD 3.49Å | ||
| 370 | G | 80.5 | Confident | 85.9 | Confident | 37 Ų | 37 | 103.5 Ų | 103.5 | 38% | 0.381 | 56% | 0.563 | S | S | . | * | trans | -73 | -4.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T368 P372 L373 V374 | T368-G370 PolarHBondContact O-N 3Å; G370-P372 VanDerWaalsContact C-CD 3.48Å; G370-L373 CarbonylContact O-C 3.56Å; G370-L373 WeakPolarHBondContact O-CA 3.36Å; G370-L373 VanDerWaalsContact O-CB 3.29Å; G370-L373 WeakPolarHBondContact O-CB 3.47Å; G370-L373 PolarHBondContact O-N 3.11Å; G370-V374 WeakPolarHBondContact O-CG2 3.47Å; G370-V374 PolarHBondContact O-N 3.48Å | ||
| 371 | A | 79.8 | Confident | 86 | Confident | 51 Ų | 51 | 100.5 Ų | 100.5 | 42% | 0.421 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.9 | -41.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | D369 L373 V374 K375 | D369-A371 PolarHBondContact O-N 3.5Å; D369-A371 WeakPolarHBondContact OD1-CB 3.28Å; D369-A371 PolarHBondContact OD1-N 2.9Å; A371-L373 VanDerWaalsContact C-N 3.3Å; A371-L373 PolarHBondContact O-N 3.2Å; A371-V374 PolarHBondContact O-N 2.98Å; A371-K375 WeakPolarHBondContact O-CB 3.17Å; A371-K375 PolarHBondContact O-N 2.89Å |
| 372 | P | 80.9 | Confident | 86.2 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 47% | 0.474 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.4 | -41.2 | 173 | -21.1 | 33.5 | 0 | 0 | 0 | 111.7 | D369 G370 K375 I376 | D369-P372 WeakPolarHBondContact O-CD 3.49Å; G370-P372 VanDerWaalsContact C-CD 3.48Å; P372-K375 PolarHBondContact O-N 3.22Å; P372-I376 VanDerWaalsContact O-CG1 3.31Å; P372-I376 WeakPolarHBondContact O-CG1 3.22Å; P372-I376 PolarHBondContact O-N 3.34Å |
| 373 | L | 82.1 | Confident | 86.4 | Confident | 132 Ų | 132 | 99.7 Ų | 99.7 | 69% | 0.691 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.5 | -41.9 | 178.2 | -146.3 | 87.8 | 0 | 0 | 0 | 111.5 | G370 A371 I376 K377 | G370-L373 CarbonylContact O-C 3.56Å; G370-L373 WeakPolarHBondContact O-CA 3.36Å; G370-L373 VanDerWaalsContact O-CB 3.29Å; G370-L373 WeakPolarHBondContact O-CB 3.47Å; G370-L373 PolarHBondContact O-N 3.11Å; A371-L373 VanDerWaalsContact C-N 3.3Å; A371-L373 PolarHBondContact O-N 3.2Å; L373-I376 PolarHBondContact O-N 2.89Å; L373-K377 WeakPolarHBondContact O-CB 3.41Å; L373-K377 PolarHBondContact O-N 3.5Å |
| 374 | V | 86.4 | Confident | 86.7 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | G370 A371 K377 Q378 | G370-V374 WeakPolarHBondContact O-CG2 3.47Å; G370-V374 PolarHBondContact O-N 3.48Å; A371-V374 PolarHBondContact O-N 2.98Å; V374-K377 WeakPolarHBondContact O-CB 3.29Å; V374-K377 PolarHBondContact O-N 2.88Å; V374-Q378 HydrophobicContact CG1-CG 4.46Å; V374-Q378 WeakPolarHBondContact O-CG 3.41Å; V374-Q378 PolarHBondContact O-N 3.3Å |
| 375 | K | 87.9 | Confident | 87 | Confident | 150 Ų | 150 | 104.4 Ų | 104.4 | 65% | 0.652 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.2 | -41.6 | 177.9 | -150.8 | 173.5 | -169 | 176.3 | 0 | 111.9 | A371 P372 Q378 S379 | A371-K375 WeakPolarHBondContact O-CB 3.17Å; A371-K375 PolarHBondContact O-N 2.89Å; P372-K375 PolarHBondContact O-N 3.22Å; K375-Q378 PolarHBondContact O-N 2.86Å; K375-S379 WeakPolarHBondContact O-CB 3.31Å; K375-S379 PolarHBondContact O-N 3.42Å; K375-S379 PolarHBondContact O-OG 3.13Å |
| 376 | I | 88.6 | Confident | 87.5 | Confident | 112 Ų | 112 | 105.4 Ų | 105.4 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.7 | -46.9 | 171.2 | -68.4 | 165.7 | 0 | 0 | 0 | 110.1 | P372 L373 Q378 S379 L380 | P372-I376 VanDerWaalsContact O-CG1 3.31Å; P372-I376 WeakPolarHBondContact O-CG1 3.22Å; P372-I376 PolarHBondContact O-N 3.34Å; L373-I376 PolarHBondContact O-N 2.89Å; I376-Q378 PolarHBondContact O-N 3.16Å; I376-S379 WeakPolarHBondContact O-CB 3.47Å; I376-S379 PolarHBondContact O-N 2.91Å; I376-L380 WeakPolarHBondContact O-CB 3.28Å; I376-L380 PolarHBondContact O-N 3.41Å |
| 377 | K | 91 | Very high | 88 | Confident | 149 Ų | 149 | 104.8 Ų | 104.8 | 65% | 0.648 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.8 | -46 | 178.6 | -172.9 | -179.5 | 177.9 | -178 | 0 | 112 | L373 V374 S379 L380 T381 | L373-K377 WeakPolarHBondContact O-CB 3.41Å; L373-K377 PolarHBondContact O-N 3.5Å; V374-K377 WeakPolarHBondContact O-CB 3.29Å; V374-K377 PolarHBondContact O-N 2.88Å; K377-S379 PolarHBondContact O-N 3.45Å; K377-L380 WeakPolarHBondContact O-CB 3.48Å; K377-L380 PolarHBondContact O-N 2.84Å; K377-T381 PolarHBondContact O-N 3.33Å; K377-T381 PolarHBondContact O-OG1 3.3Å |
| 378 | Q | 91.8 | Very high | 88.9 | Confident | 126 Ų | 126 | 100.6 Ų | 100.6 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 175.6 | -75.4 | 176.3 | -6.8 | 0 | 0 | 112 | V374 K375 I376 L380 T381 K382 | V374-Q378 HydrophobicContact CG1-CG 4.46Å; V374-Q378 WeakPolarHBondContact O-CG 3.41Å; V374-Q378 PolarHBondContact O-N 3.3Å; K375-Q378 PolarHBondContact O-N 2.86Å; I376-Q378 PolarHBondContact O-N 3.16Å; Q378-L380 VanDerWaalsContact C-N 3.33Å; Q378-L380 PolarHBondContact O-N 2.95Å; Q378-T381 PolarHBondContact O-N 3.46Å; Q378-K382 PolarHBondContact O-N 3.31Å |
| 379 | S | 92.1 | Very high | 89.6 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.8 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | K375 I376 K377 K382 L383 | K375-S379 WeakPolarHBondContact O-CB 3.31Å; K375-S379 PolarHBondContact O-N 3.42Å; K375-S379 PolarHBondContact O-OG 3.13Å; I376-S379 WeakPolarHBondContact O-CB 3.47Å; I376-S379 PolarHBondContact O-N 2.91Å; K377-S379 PolarHBondContact O-N 3.45Å; S379-K382 PolarHBondContact O-N 3.04Å; S379-L383 PolarHBondContact O-N 3.43Å |
| 380 | L | 93.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 176.1 | -162.6 | 100.8 | 0 | 0 | 0 | 111.7 | I376 K377 Q378 K382 L383 K384 | I376-L380 WeakPolarHBondContact O-CB 3.28Å; I376-L380 PolarHBondContact O-N 3.41Å; K377-L380 WeakPolarHBondContact O-CB 3.48Å; K377-L380 PolarHBondContact O-N 2.84Å; Q378-L380 VanDerWaalsContact C-N 3.33Å; Q378-L380 PolarHBondContact O-N 2.95Å; L380-K382 VanDerWaalsContact C-N 3.35Å; L380-L383 PolarHBondContact O-N 2.93Å; L380-K384 WeakPolarHBondContact O-CG 3.39Å; L380-K384 PolarHBondContact O-N 2.9Å |
| 381 | T | 93.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 103.4 Ų | 103.4 | 47% | 0.466 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | K377 Q378 K384 Q385 | K377-T381 PolarHBondContact O-N 3.33Å; K377-T381 PolarHBondContact O-OG1 3.3Å; Q378-T381 PolarHBondContact O-N 3.46Å; T381-K384 WeakPolarHBondContact O-CB 3.26Å; T381-K384 PolarHBondContact O-N 3.45Å; T381-Q385 PolarHBondContact O-N 2.94Å |
| 382 | K | 95.1 | Very high | 91.7 | Very high | 135 Ų | 135 | 105.9 Ų | 105.9 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.5 | -46.7 | 175.9 | -171.1 | -176.9 | 176.6 | -169.1 | 0 | 111.8 | Q378 S379 L380 K384 Q385 E386 | Q378-K382 PolarHBondContact O-N 3.31Å; S379-K382 PolarHBondContact O-N 3.04Å; L380-K382 VanDerWaalsContact C-N 3.35Å; K382-K384 VanDerWaalsContact C-N 3.31Å; K382-K384 PolarHBondContact O-N 3Å; K382-Q385 WeakPolarHBondContact O-CB 3.43Å; K382-Q385 PolarHBondContact O-N 2.8Å; K382-Q385 VanDerWaalsContact O-N 3.08Å; K382-E386 VanDerWaalsContact CE-OE1 3.31Å; K382-E386 WeakPolarHBondContact CE-OE1 3.46Å; K382-E386 IonicContact NZ-OE1 2.71Å; K382-E386 PolarHBondContact O-N 2.97Å |
| 383 | L | 94.8 | Very high | 92.2 | Very high | 104 Ų | 104 | 109.7 Ų | 109.7 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 175.2 | -86.8 | 167.8 | 0 | 0 | 0 | 112.4 | S379 L380 Q385 E386 T387 | S379-L383 PolarHBondContact O-N 3.43Å; L380-L383 PolarHBondContact O-N 2.93Å; L383-Q385 VanDerWaalsContact C-N 3.3Å; L383-Q385 PolarHBondContact O-N 3.11Å; L383-E386 PolarHBondContact O-N 3.25Å; L383-T387 PolarHBondContact O-N 2.9Å; L383-T387 PolarHBondContact O-OG1 2.78Å |
| 384 | K | 94.4 | Very high | 92.8 | Very high | 135 Ų | 135 | 106.9 Ų | 106.9 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 174.4 | -76.4 | -176.1 | 176.8 | -171.9 | 0 | 111.8 | L380 T381 K382 T387 V388 | L380-K384 WeakPolarHBondContact O-CG 3.39Å; L380-K384 PolarHBondContact O-N 2.9Å; T381-K384 WeakPolarHBondContact O-CB 3.26Å; T381-K384 PolarHBondContact O-N 3.45Å; K382-K384 VanDerWaalsContact C-N 3.31Å; K382-K384 PolarHBondContact O-N 3Å; K384-T387 WeakPolarHBondContact O-CB 3.28Å; K384-T387 PolarHBondContact O-N 3.47Å; K384-V388 WeakPolarHBondContact O-CG2 3.41Å; K384-V388 PolarHBondContact O-N 3.25Å |
| 385 | Q | 94.4 | Very high | 93.1 | Very high | 140 Ų | 140 | 104.8 Ų | 104.8 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.2 | -42.9 | 179.2 | -161.2 | 131.8 | 13 | 0 | 0 | 112 | T381 K382 L383 T387 V388 E389 | T381-Q385 PolarHBondContact O-N 2.94Å; K382-Q385 WeakPolarHBondContact O-CB 3.43Å; K382-Q385 PolarHBondContact O-N 2.8Å; K382-Q385 VanDerWaalsContact O-N 3.08Å; L383-Q385 VanDerWaalsContact C-N 3.3Å; L383-Q385 PolarHBondContact O-N 3.11Å; Q385-T387 VanDerWaalsContact C-N 3.28Å; Q385-T387 PolarHBondContact O-N 2.92Å; Q385-V388 PolarHBondContact O-N 3.05Å; Q385-E389 PolarHBondContact O-N 3.11Å |
| 386 | E | 95.3 | Very high | 93.3 | Very high | 93 Ų | 93 | 102.5 Ų | 102.5 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 171.9 | -77.8 | 175.6 | -176.1 | 0 | 0 | 111.6 | K382 L383 E389 M390 | K382-E386 VanDerWaalsContact CE-OE1 3.31Å; K382-E386 WeakPolarHBondContact CE-OE1 3.46Å; K382-E386 IonicContact NZ-OE1 2.71Å; K382-E386 PolarHBondContact O-N 2.97Å; L383-E386 PolarHBondContact O-N 3.25Å; E386-E389 PolarHBondContact O-N 2.86Å; E386-M390 WeakPolarHBondContact O-CB 3.49Å; E386-M390 PolarHBondContact O-N 2.9Å |
| 387 | T | 93.9 | Very high | 93.5 | Very high | 72 Ų | 72 | 101.8 Ų | 101.8 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 175.4 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | L383 K384 Q385 E389 M390 D391 | L383-T387 PolarHBondContact O-N 2.9Å; L383-T387 PolarHBondContact O-OG1 2.78Å; K384-T387 WeakPolarHBondContact O-CB 3.28Å; K384-T387 PolarHBondContact O-N 3.47Å; Q385-T387 VanDerWaalsContact C-N 3.28Å; Q385-T387 PolarHBondContact O-N 2.92Å; T387-E389 VanDerWaalsContact C-N 3.32Å; T387-E389 PolarHBondContact O-N 3.1Å; T387-M390 PolarHBondContact O-N 3.04Å; T387-D391 PolarHBondContact O-N 3.34Å |
| 388 | V | 94.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 100.7 Ų | 100.7 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | K384 Q385 M390 D391 I392 | K384-V388 WeakPolarHBondContact O-CG2 3.41Å; K384-V388 PolarHBondContact O-N 3.25Å; Q385-V388 PolarHBondContact O-N 3.05Å; V388-M390 VanDerWaalsContact C-N 3.32Å; V388-M390 PolarHBondContact O-N 2.97Å; V388-D391 PolarHBondContact O-N 2.96Å; V388-I392 HydrophobicContact CG1-CD1 4.12Å; V388-I392 WeakPolarHBondContact O-CG1 3.36Å; V388-I392 PolarHBondContact O-N 2.85Å |
| 389 | E | 94.9 | Very high | 93.4 | Very high | 95 Ų | 95 | 100.4 Ų | 100.4 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.2 | -170 | -178.7 | 171 | 0 | 0 | 111.4 | Q385 E386 T387 I392 R393 | Q385-E389 PolarHBondContact O-N 3.11Å; E386-E389 PolarHBondContact O-N 2.86Å; T387-E389 VanDerWaalsContact C-N 3.32Å; T387-E389 PolarHBondContact O-N 3.1Å; E389-I392 PolarHBondContact O-N 2.79Å; E389-R393 WeakPolarHBondContact O-CG 3.39Å; E389-R393 PolarHBondContact O-N 3.46Å; E389-R393 IonicContact OE1-CZ 3.4Å; E389-R393 IonicContact OE1-NE 3.43Å; E389-R393 PolarHBondContact OE1-NE 3.09Å; E389-R393 IonicContact OE1-NH2 2.67Å; E389-R393 PolarHBondContact OE1-NH2 2.84Å |
| 390 | M | 94.4 | Very high | 93.4 | Very high | 113 Ų | 113 | 101 Ų | 101 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 177.1 | -154.3 | 173.5 | 74 | 0 | 0 | 111.6 | E386 T387 V388 I392 R393 I394 | E386-M390 WeakPolarHBondContact O-CB 3.49Å; E386-M390 PolarHBondContact O-N 2.9Å; T387-M390 PolarHBondContact O-N 3.04Å; V388-M390 VanDerWaalsContact C-N 3.32Å; V388-M390 PolarHBondContact O-N 2.97Å; M390-I392 PolarHBondContact O-N 3.08Å; M390-R393 PolarHBondContact O-N 2.91Å; M390-I394 HydrophobicContact CG-CD1 4.42Å; M390-I394 VanDerWaalsContact O-CG1 3.25Å; M390-I394 WeakPolarHBondContact O-CG1 3.35Å; M390-I394 PolarHBondContact O-N 3.42Å |
| 391 | D | 93.8 | Very high | 93.2 | Very high | 94 Ų | 94 | 101.3 Ų | 101.3 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 174.3 | -73.4 | -21.9 | 0 | 0 | 0 | 112 | T387 V388 I394 G395 | T387-D391 PolarHBondContact O-N 3.34Å; V388-D391 PolarHBondContact O-N 2.96Å; D391-I394 PolarHBondContact O-N 2.97Å; D391-G395 PolarHBondContact O-N 3.47Å |
| 392 | I | 92.4 | Very high | 93 | Very high | 102 Ų | 102 | 102.8 Ų | 102.8 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.1 | -67.1 | 165.4 | 0 | 0 | 0 | 110.2 | V388 E389 M390 G395 I396 | V388-I392 HydrophobicContact CG1-CD1 4.12Å; V388-I392 WeakPolarHBondContact O-CG1 3.36Å; V388-I392 PolarHBondContact O-N 2.85Å; E389-I392 PolarHBondContact O-N 2.79Å; M390-I392 PolarHBondContact O-N 3.08Å; I392-G395 PolarHBondContact O-N 3.43Å; I392-I396 HydrophobicContact CG2-CD1 3.9Å; I392-I396 HydrophobicContact CG2-CG1 4.47Å; I392-I396 WeakPolarHBondContact O-CG1 3.32Å; I392-I396 PolarHBondContact O-N 2.95Å |
| 393 | R | 92.6 | Very high | 92.7 | Very high | 153 Ų | 153 | 100.7 Ų | 100.7 | 58% | 0.577 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 177.4 | -70.8 | 175.3 | -175.2 | -159.7 | 4.2 | 111.2 | E389 M390 I396 V397 | E389-R393 WeakPolarHBondContact O-CG 3.39Å; E389-R393 PolarHBondContact O-N 3.46Å; E389-R393 IonicContact OE1-CZ 3.4Å; E389-R393 IonicContact OE1-NE 3.43Å; E389-R393 PolarHBondContact OE1-NE 3.09Å; E389-R393 IonicContact OE1-NH2 2.67Å; E389-R393 PolarHBondContact OE1-NH2 2.84Å; M390-R393 PolarHBondContact O-N 2.91Å; R393-I396 PolarHBondContact O-N 3.32Å; R393-V397 VanDerWaalsContact O-CG2 3.27Å; R393-V397 WeakPolarHBondContact O-CG2 3.47Å; R393-V397 PolarHBondContact O-N 3.47Å |
| 394 | I | 93.1 | Very high | 92.2 | Very high | 74 Ų | 74 | 99.1 Ų | 99.1 | 38% | 0.379 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 174.2 | -69.7 | 163.9 | 0 | 0 | 0 | 109.7 | M390 D391 I396 V397 E398 | M390-I394 HydrophobicContact CG-CD1 4.42Å; M390-I394 VanDerWaalsContact O-CG1 3.25Å; M390-I394 WeakPolarHBondContact O-CG1 3.35Å; M390-I394 PolarHBondContact O-N 3.42Å; D391-I394 PolarHBondContact O-N 2.97Å; I394-I396 PolarHBondContact O-N 2.94Å; I394-V397 CarbonylContact O-C 3.48Å; I394-V397 PolarHBondContact O-N 3.24Å; I394-V397 VanDerWaalsContact O-N 3.12Å; I394-E398 HydrophobicContact CG2-CG 4.18Å; I394-E398 WeakPolarHBondContact O-CB 3.34Å; I394-E398 WeakPolarHBondContact O-CG 3.42Å; I394-E398 PolarHBondContact O-N 3.04Å |
| 395 | G | 93.3 | Very high | 91.7 | Very high | 33 Ų | 33 | 98.9 Ų | 98.9 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | D391 I392 H399 | D391-G395 PolarHBondContact O-N 3.47Å; I392-G395 PolarHBondContact O-N 3.43Å; G395-H399 WeakPolarHBondContact O-CB 3.36Å; G395-H399 PolarHBondContact O-N 2.69Å |
| 396 | I | 93.1 | Very high | 91.3 | Very high | 101 Ų | 101 | 97.3 Ų | 97.3 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 174.1 | -67.1 | 166.2 | 0 | 0 | 0 | 110.6 | I392 R393 I394 H399 T400 | I392-I396 HydrophobicContact CG2-CD1 3.9Å; I392-I396 HydrophobicContact CG2-CG1 4.47Å; I392-I396 WeakPolarHBondContact O-CG1 3.32Å; I392-I396 PolarHBondContact O-N 2.95Å; R393-I396 PolarHBondContact O-N 3.32Å; I394-I396 PolarHBondContact O-N 2.94Å; I396-H399 PolarHBondContact O-N 2.61Å; I396-T400 VanDerWaalsContact O-CB 3.29Å; I396-T400 WeakPolarHBondContact O-CB 3.45Å; I396-T400 PolarHBondContact O-N 3.49Å; I396-T400 PolarHBondContact O-OG1 2.94Å |
| 397 | V | 92.1 | Very high | 90.6 | Very high | 97 Ų | 97 | 98.7 Ų | 98.7 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 177.9 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | R393 I394 T400 L401 | R393-V397 VanDerWaalsContact O-CG2 3.27Å; R393-V397 WeakPolarHBondContact O-CG2 3.47Å; R393-V397 PolarHBondContact O-N 3.47Å; I394-V397 CarbonylContact O-C 3.48Å; I394-V397 PolarHBondContact O-N 3.24Å; I394-V397 VanDerWaalsContact O-N 3.12Å; V397-T400 PolarHBondContact O-N 3.36Å; V397-L401 VanDerWaalsContact O-CB 3.26Å; V397-L401 WeakPolarHBondContact O-CB 3.01Å; V397-L401 PolarHBondContact O-N 2.87Å |
| 398 | E | 90.3 | Very high | 90 | Very high | 127 Ų | 127 | 100.7 Ų | 100.7 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -46.7 | 175.1 | -74.5 | -178.4 | 165.2 | 0 | 0 | 111.6 | I394 L401 L402 | I394-E398 HydrophobicContact CG2-CG 4.18Å; I394-E398 WeakPolarHBondContact O-CB 3.34Å; I394-E398 WeakPolarHBondContact O-CG 3.42Å; I394-E398 PolarHBondContact O-N 3.04Å; E398-L401 PolarHBondContact O-N 3.41Å; E398-L402 VanDerWaalsContact O-CB 3.32Å; E398-L402 WeakPolarHBondContact O-CB 3.31Å; E398-L402 PolarHBondContact O-N 3.43Å |
| 399 | H | 91.1 | Very high | 89.2 | Confident | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 176.6 | -176.3 | 75.4 | 0 | 0 | 0 | 112 | G395 I396 L402 Q403 | G395-H399 WeakPolarHBondContact O-CB 3.36Å; G395-H399 PolarHBondContact O-N 2.69Å; I396-H399 PolarHBondContact O-N 2.61Å; H399-L402 PolarHBondContact O-N 2.93Å; H399-Q403 WeakPolarHBondContact O-CB 3.38Å; H399-Q403 PolarHBondContact O-N 3.32Å |
| 400 | T | 90.4 | Very high | 88.1 | Confident | 77 Ų | 77 | 102.5 Ų | 102.5 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | I396 V397 Q403 S404 | I396-T400 VanDerWaalsContact O-CB 3.29Å; I396-T400 WeakPolarHBondContact O-CB 3.45Å; I396-T400 PolarHBondContact O-N 3.49Å; I396-T400 PolarHBondContact O-OG1 2.94Å; V397-T400 PolarHBondContact O-N 3.36Å; T400-Q403 PolarHBondContact O-N 2.76Å; T400-S404 WeakPolarHBondContact O-CB 3.47Å; T400-S404 PolarHBondContact O-N 3.27Å |
| 401 | L | 89.8 | Confident | 87.1 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.7 | -175.2 | 77.7 | 0 | 0 | 0 | 111 | V397 E398 S404 K405 | V397-L401 VanDerWaalsContact O-CB 3.26Å; V397-L401 WeakPolarHBondContact O-CB 3.01Å; V397-L401 PolarHBondContact O-N 2.87Å; E398-L401 PolarHBondContact O-N 3.41Å; L401-S404 WeakPolarHBondContact O-CB 3.27Å; L401-S404 PolarHBondContact O-N 3.09Å; L401-K405 WeakPolarHBondContact O-CG 3.44Å; L401-K405 PolarHBondContact O-N 3.04Å |
| 402 | L | 90.8 | Very high | 86 | Confident | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 179.1 | -156.4 | 106.1 | 0 | 0 | 0 | 111.3 | E398 H399 S404 K405 L406 | E398-L402 VanDerWaalsContact O-CB 3.32Å; E398-L402 WeakPolarHBondContact O-CB 3.31Å; E398-L402 PolarHBondContact O-N 3.43Å; H399-L402 PolarHBondContact O-N 2.93Å; L402-S404 VanDerWaalsContact C-N 3.34Å; L402-K405 PolarHBondContact O-N 3.44Å; L402-L406 HydrophobicContact CD2-CD1 4.1Å; L402-L406 WeakPolarHBondContact O-CB 3.31Å; L402-L406 WeakPolarHBondContact O-CG 3.44Å; L402-L406 PolarHBondContact O-N 2.82Å |
| 403 | Q | 87.3 | Confident | 84.7 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176 | -164.1 | -173.4 | 47.2 | 0 | 0 | 111.5 | H399 T400 L406 K407 | H399-Q403 WeakPolarHBondContact O-CB 3.38Å; H399-Q403 PolarHBondContact O-N 3.32Å; T400-Q403 PolarHBondContact O-N 2.76Å; Q403-L406 PolarHBondContact O-N 3.49Å; Q403-K407 WeakPolarHBondContact O-CB 3.42Å; Q403-K407 WeakPolarHBondContact O-CG 3.46Å; Q403-K407 PolarHBondContact O-N 3.24Å |
| 404 | S | 85.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 103.7 Ų | 103.7 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 173.2 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | T400 L401 L402 L406 K407 E408 | T400-S404 WeakPolarHBondContact O-CB 3.47Å; T400-S404 PolarHBondContact O-N 3.27Å; L401-S404 WeakPolarHBondContact O-CB 3.27Å; L401-S404 PolarHBondContact O-N 3.09Å; L402-S404 VanDerWaalsContact C-N 3.34Å; S404-L406 VanDerWaalsContact C-N 3.34Å; S404-L406 PolarHBondContact O-N 3.37Å; S404-K407 PolarHBondContact O-N 3.2Å; S404-E408 WeakPolarHBondContact O-CB 3.28Å; S404-E408 PolarHBondContact O-N 3.17Å |
| 405 | K | 84.4 | Confident | 81.8 | Confident | 131 Ų | 131 | 105.6 Ų | 105.6 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -39.2 | 176 | -75.9 | -171.2 | 175.5 | -175.7 | 0 | 112.7 | L401 L402 E408 K409 | L401-K405 WeakPolarHBondContact O-CG 3.44Å; L401-K405 PolarHBondContact O-N 3.04Å; L402-K405 PolarHBondContact O-N 3.44Å; K405-E408 PolarHBondContact O-N 3.09Å; K405-K409 WeakPolarHBondContact O-CB 3.24Å; K405-K409 PolarHBondContact O-N 2.99Å |
| 406 | L | 84.3 | Confident | 80.1 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 56% | 0.56 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.7 | -41.4 | 175.7 | -75.2 | 170.5 | 0 | 0 | 0 | 112 | L402 Q403 S404 K409 S410 | L402-L406 HydrophobicContact CD2-CD1 4.1Å; L402-L406 WeakPolarHBondContact O-CB 3.31Å; L402-L406 WeakPolarHBondContact O-CG 3.44Å; L402-L406 PolarHBondContact O-N 2.82Å; Q403-L406 PolarHBondContact O-N 3.49Å; S404-L406 VanDerWaalsContact C-N 3.34Å; S404-L406 PolarHBondContact O-N 3.37Å; L406-K409 PolarHBondContact O-N 3.34Å; L406-S410 WeakPolarHBondContact O-CB 3.43Å; L406-S410 PolarHBondContact O-N 2.89Å |
| 407 | K | 81.7 | Confident | 78.3 | Confident | 121 Ų | 121 | 113 Ų | 113 | 53% | 0.526 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63 | -41.8 | 173.6 | -78.4 | 176.4 | 178.3 | 173 | 0 | 111.7 | Q403 S404 S410 N411 | Q403-K407 WeakPolarHBondContact O-CB 3.42Å; Q403-K407 WeakPolarHBondContact O-CG 3.46Å; Q403-K407 PolarHBondContact O-N 3.24Å; S404-K407 PolarHBondContact O-N 3.2Å; K407-S410 PolarHBondContact O-N 3.4Å; K407-N411 WeakPolarHBondContact O-CB 3.31Å; K407-N411 VanDerWaalsContact O-CG 3.25Å; K407-N411 PolarHBondContact O-N 3.03Å |
| 408 | E | 80.3 | Confident | 76.6 | Confident | 114 Ų | 114 | 112.2 Ų | 112.2 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.8 | -46.6 | 174.8 | -172.6 | 179.6 | -170.7 | 0 | 0 | 111.4 | S404 K405 S410 N411 M412 | S404-E408 WeakPolarHBondContact O-CB 3.28Å; S404-E408 PolarHBondContact O-N 3.17Å; K405-E408 PolarHBondContact O-N 3.09Å; E408-S410 PolarHBondContact O-N 3.29Å; E408-N411 PolarHBondContact O-N 3.49Å; E408-M412 PolarHBondContact O-N 3.25Å |
| 409 | K | 77.7 | Confident | 74.8 | Confident | 148 Ų | 148 | 111.5 Ų | 111.5 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.4 | -40.6 | 175.1 | -169.4 | 176.6 | -179.1 | 178.5 | 0 | 112.6 | K405 L406 M412 T413 | K405-K409 WeakPolarHBondContact O-CB 3.24Å; K405-K409 PolarHBondContact O-N 2.99Å; L406-K409 PolarHBondContact O-N 3.34Å; K409-M412 PolarHBondContact O-N 3.43Å; K409-T413 PolarHBondContact O-N 3.18Å; K409-T413 PolarHBondContact O-OG1 3.49Å; K409-T413 VanDerWaalsContact O-OG1 3.09Å |
| 410 | S | 72.9 | Confident | 72.9 | Confident | 69 Ų | 69 | 110.9 Ų | 110.9 | 48% | 0.483 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -35.7 | 174.8 | -175 | 0 | 0 | 0 | 0 | 112.6 | L406 K407 E408 T413 R414 | L406-S410 WeakPolarHBondContact O-CB 3.43Å; L406-S410 PolarHBondContact O-N 2.89Å; K407-S410 PolarHBondContact O-N 3.4Å; E408-S410 PolarHBondContact O-N 3.29Å; S410-T413 WeakPolarHBondContact CA-OG1 3.38Å; S410-T413 PolarHBondContact O-OG1 2.97Å; S410-R414 VanDerWaalsContact O-CB 3.32Å; S410-R414 WeakPolarHBondContact O-CB 3.42Å; S410-R414 PolarHBondContact O-N 2.74Å |
| 411 | N | 72.7 | Confident | 70.4 | Confident | 93 Ų | 93 | 114.5 Ų | 114.5 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.2 | -37.1 | 174.9 | -75.2 | -11.3 | 0 | 0 | 0 | 111 | K407 E408 R414 N415 | K407-N411 WeakPolarHBondContact O-CB 3.31Å; K407-N411 VanDerWaalsContact O-CG 3.25Å; K407-N411 PolarHBondContact O-N 3.03Å; E408-N411 PolarHBondContact O-N 3.49Å; N411-R414 PolarHBondContact O-N 3.37Å; N411-N415 WeakPolarHBondContact O-CB 3.44Å; N411-N415 VanDerWaalsContact O-CG 3.31Å; N411-N415 PolarHBondContact O-N 3.07Å |
| 412 | M | 70.2 | Confident | 68.4 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 61% | 0.611 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60 | -46.3 | 171 | -82.2 | -171.5 | 174.4 | 0 | 0 | 111.9 | E408 K409 N415 M416 | E408-M412 PolarHBondContact O-N 3.25Å; K409-M412 PolarHBondContact O-N 3.43Å; M412-N415 PolarHBondContact O-N 3.08Å; M412-M416 WeakPolarHBondContact O-CG 3.48Å; M412-M416 PolarHBondContact O-N 2.88Å |
| 413 | T | 66.1 | Low | 65.9 | Low | 78 Ų | 78 | 119.5 Ų | 119.5 | 48% | 0.479 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68 | -34.1 | 176.5 | 40.2 | 0 | 0 | 0 | 0 | 112.8 | K409 S410 M416 H417 | K409-T413 PolarHBondContact O-N 3.18Å; K409-T413 PolarHBondContact O-OG1 3.49Å; K409-T413 VanDerWaalsContact O-OG1 3.09Å; S410-T413 WeakPolarHBondContact CA-OG1 3.38Å; S410-T413 PolarHBondContact O-OG1 2.97Å; T413-M416 PolarHBondContact O-N 3.16Å; T413-H417 PolarHBondContact O-N 3.46Å; T413-H417 VanDerWaalsContact O-N 3.1Å |
| 414 | R | 63.7 | Low | 63.9 | Low | 192 Ų | 192 | 121.2 Ų | 121.2 | 73% | 0.725 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.3 | -40.4 | 174.2 | -168.8 | 176.8 | 173.3 | 120.7 | -0.3 | 112.2 | S410 N411 M416 H417 A418 | S410-R414 VanDerWaalsContact O-CB 3.32Å; S410-R414 WeakPolarHBondContact O-CB 3.42Å; S410-R414 PolarHBondContact O-N 2.74Å; N411-R414 PolarHBondContact O-N 3.37Å; R414-M416 VanDerWaalsContact C-N 3.34Å; R414-H417 PolarHBondContact O-N 3.46Å; R414-A418 PolarHBondContact O-N 3.32Å |
| 415 | N | 60.2 | Low | 61.8 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.8 | -37.4 | 174.2 | -77 | -13.2 | 0 | 0 | 0 | 111.8 | N411 M412 H417 A418 T419 | N411-N415 WeakPolarHBondContact O-CB 3.44Å; N411-N415 VanDerWaalsContact O-CG 3.31Å; N411-N415 PolarHBondContact O-N 3.07Å; M412-N415 PolarHBondContact O-N 3.08Å; N415-H417 VanDerWaalsContact C-N 3.33Å; N415-H417 PolarHBondContact O-N 3.17Å; N415-A418 PolarHBondContact O-N 3.03Å; N415-T419 PolarHBondContact O-N 3.32Å; N415-T419 PolarHBondContact O-OG1 3.25Å |
| 416 | M | 57.9 | Low | 59.9 | Low | 137 Ų | 137 | 122.5 Ų | 122.5 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.1 | -34.5 | 172 | -77.2 | -78.7 | -64.5 | 0 | 0 | 113.2 | M412 T413 R414 T419 | M412-M416 WeakPolarHBondContact O-CG 3.48Å; M412-M416 PolarHBondContact O-N 2.88Å; T413-M416 PolarHBondContact O-N 3.16Å; R414-M416 VanDerWaalsContact C-N 3.34Å; M416-T419 PolarHBondContact O-OG1 2.95Å |
| 417 | H | 56.3 | Low | 57.7 | Low | 152 Ų | 152 | 120.9 Ų | 120.9 | 70% | 0.704 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.1 | -26.9 | 175.7 | -91.5 | -69.9 | 0 | 0 | 0 | 113.7 | T413 R414 N415 T419 V420 | T413-H417 PolarHBondContact O-N 3.46Å; T413-H417 VanDerWaalsContact O-N 3.1Å; R414-H417 PolarHBondContact O-N 3.46Å; N415-H417 VanDerWaalsContact C-N 3.33Å; N415-H417 PolarHBondContact O-N 3.17Å; H417-T419 VanDerWaalsContact C-N 3.28Å; H417-T419 PolarHBondContact O-N 3.28Å; H417-V420 PolarHBondContact O-N 2.77Å |
| 418 | A | 55.6 | Low | 55.9 | Low | 81 Ų | 81 | 124.7 Ų | 124.7 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -71 | -21.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R414 N415 V420 | R414-A418 PolarHBondContact O-N 3.32Å; N415-A418 PolarHBondContact O-N 3.03Å; A418-V420 VanDerWaalsContact C-N 3.28Å; A418-V420 PolarHBondContact O-N 2.75Å |
| 419 | T | 52.6 | Low | 54.1 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -0.6 | 174.9 | 32.7 | 0 | 0 | 0 | 0 | 114.9 | N415 M416 H417 | N415-T419 PolarHBondContact O-N 3.32Å; N415-T419 PolarHBondContact O-OG1 3.25Å; M416-T419 PolarHBondContact O-OG1 2.95Å; H417-T419 VanDerWaalsContact C-N 3.28Å; H417-T419 PolarHBondContact O-N 3.28Å |
| 420 | V | 50 | Low | 52.9 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.655 | 72% | 0.723 | S | S | * | * | trans | -128.2 | 65.6 | -173.7 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | H417 A418 | H417-V420 PolarHBondContact O-N 2.77Å; A418-V420 VanDerWaalsContact C-N 3.28Å; A418-V420 PolarHBondContact O-N 2.75Å | ||
| 421 | I | 39.1 | Very low | 51.8 | Low | 153 Ų | 153 | 135.9 Ų | 135.9 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -144.5 | 129.6 | 153 | -56.4 | -176.3 | 0 | 0 | 0 | 108.1 | ||||
| 422 | P | 47.3 | Very low | 50.7 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -89.3 | 149.8 | -170.3 | 34.2 | -32.3 | 0 | 0 | 0 | 113.6 | ||||
| 423 | E | 37.7 | Very low | 49.5 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | trans | -114.2 | 147.4 | 167.1 | -96.5 | -167.1 | 158.3 | 0 | 0 | 112.9 | ||||
| 424 | P | 45.2 | Very low | 48.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -96.9 | 179.7 | -165.5 | 39.4 | -32.6 | 0 | 0 | 0 | 114.5 | ||||
| 425 | A | 42.5 | Very low | 47.5 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | -69.9 | 146 | -164.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 426 | T | 43.1 | Very low | 46.6 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | 63.3 | 129.2 | 141.3 | 51.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 427 | G | 38.8 | Very low | 45.7 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 156.8 | 117 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 428 | F | 44.2 | Very low | 44.8 | Very low | 200 Ų | 200 | 141 Ų | 141 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -28.3 | 146.1 | 167 | -70.8 | -98.4 | 0 | 0 | 0 | 116.8 | ||||
| 429 | Y | 41.5 | Very low | 43.8 | Very low | 295 Ų | 295 | 146.5 Ų | 146.5 | 100% | 1.157 | 82% | 0.819 | S | S | * | * | cis | -141.5 | 0 | 46.3 | -109.6 | -92.3 | 0 | 0 | 0 | 113.1 |
Retrieved 429 of 429 residues in 211.8 ms
(Link to these results)