| 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 | 38.4 | Very low | 34.4 | Very low | 223 Ų | 223 | 144 Ų | 144 | 100% | 1.099 | 72% | 0.72 | S | S | * | * | 0 | -22.5 | 0 | -67.4 | -162.7 | -173.4 | 0 | 0 | 114.2 | |||||
| 2 | A | 33.8 | Very low | 34.8 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -14.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 3 | E | 30.4 | Very low | 35.3 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -23.6 | -175.2 | -139.1 | 176 | -176 | 0 | 0 | 113.2 | ||
| 4 | E | 30.7 | Very low | 36.8 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.9 | -29.9 | -178 | -152.6 | 163.5 | -156.1 | 0 | 0 | 111.8 | R6 | E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 3.29Å |
| 5 | G | 29.6 | Very low | 37.4 | Very low | 60 Ų | 60 | 137.9 Ų | 137.9 | 62% | 0.619 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -70.4 | -18.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 6 | R | 33 | Very low | 38.4 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 73% | 0.732 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -86.2 | -28 | 179.6 | -149.6 | 176.4 | -165.3 | 170.7 | 4.6 | 113 | E4 R8 | E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 3.29Å; R6-R8 VanDerWaalsContact C-N 3.32Å |
| 7 | R | 39.6 | Very low | 39.3 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.5 | -33.2 | 173.7 | -80.2 | -173.3 | 173.1 | 114.5 | 0.8 | 112.7 | ||
| 8 | R | 37 | Very low | 40.4 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 67% | 0.672 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.7 | -26.5 | -178.5 | -163.5 | 173.1 | 170.3 | 175 | 1.6 | 113.5 | R6 E12 | R6-R8 VanDerWaalsContact C-N 3.32Å; R8-E12 IonicContact NE-OE1 3.59Å; R8-E12 PolarHBondContact NE-OE1 2.95Å; R8-E12 WeakPolarHBondContact O-CG 3.38Å |
| 9 | G | 30.1 | Very low | 41.3 | Very low | 50 Ų | 50 | 123.3 Ų | 123.3 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -79.7 | -20 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 10 | E | 34.7 | Very low | 42.4 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -94.9 | -16 | 178.2 | -70.9 | -175.9 | 177.9 | 0 | 0 | 113.2 | ||
| 11 | E | 41.1 | Very low | 43.5 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -87.2 | -21.9 | 175.5 | -72.5 | -177.2 | 170.2 | 0 | 0 | 112.9 | D13 | E11-D13 VanDerWaalsContact C-N 3.32Å; E11-D13 PolarHBondContact O-N 3.46Å |
| 12 | E | 39.3 | Very low | 44.8 | Very low | 140 Ų | 140 | 115 Ų | 115 | 65% | 0.654 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -14 | -176.3 | -81.2 | 177.3 | -179.3 | 0 | 0 | 114.2 | R8 | R8-E12 IonicContact NE-OE1 3.59Å; R8-E12 PolarHBondContact NE-OE1 2.95Å; R8-E12 WeakPolarHBondContact O-CG 3.38Å |
| 13 | D | 41.9 | Very low | 46.6 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 83% | 0.829 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 3.5 | -178.3 | -144.6 | 19.4 | 0 | 0 | 0 | 113.8 | E11 | E11-D13 VanDerWaalsContact C-N 3.32Å; E11-D13 PolarHBondContact O-N 3.46Å |
| 14 | R | 55.3 | Low | 48.7 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 54% | 0.54 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -100.3 | 106 | 179.1 | -80.4 | -174.4 | -176.1 | -163.4 | 0.2 | 109.1 | A18 E128 | R14-A18 HydrophobicContact CB-CB 3.62Å; R14-A18 HydrophobicContact CG-CB 4.16Å; R14-E128 IonicContact CZ-OE2 2.66Å; R14-E128 IonicContact NH1-OE2 3.58Å; R14-E128 PolarHBondContact NH1-OE2 3.07Å; R14-E128 IonicContact NH2-OE2 3.31Å |
| 15 | G | 45.8 | Very low | 50.7 | Low | 46 Ų | 46 | 105.6 Ų | 105.6 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | trans | -50.8 | 158.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G17 A18 | G15-G17 PolarHBondContact O-N 3.22Å; G15-A18 VanDerWaalsContact O-CB 3.26Å; G15-A18 WeakPolarHBondContact O-CB 3.39Å; G15-A18 PolarHBondContact O-N 3.5Å | ||
| 16 | P | 53.3 | Low | 53 | Low | 120 Ų | 120 | 102.7 Ų | 102.7 | 78% | 0.779 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -18.6 | -168.5 | 17.8 | -30 | 0 | 0 | 0 | 115.6 | H20 | P16-H20 PolarHBondContact O-ND1 3.33Å; P16-H20 VanDerWaalsContact O-ND1 3.13Å |
| 17 | G | 54.4 | Low | 55.1 | Low | 52 Ų | 52 | 97.7 Ų | 97.7 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G15 A19 H20 R21 | G15-G17 PolarHBondContact O-N 3.22Å; G17-A19 PolarHBondContact O-N 3.41Å; G17-H20 WeakPolarHBondContact O-CB 3.44Å; G17-H20 PolarHBondContact O-N 2.93Å; G17-H20 VanDerWaalsContact O-N 3.14Å; G17-R21 PolarHBondContact O-N 3.12Å; G17-R21 VanDerWaalsContact O-N 3.09Å |
| 18 | A | 59.1 | Low | 57 | Low | 36 Ų | 36 | 91.9 Ų | 91.9 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.9 | -32.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R14 G15 H20 R21 | R14-A18 HydrophobicContact CB-CB 3.62Å; R14-A18 HydrophobicContact CG-CB 4.16Å; G15-A18 VanDerWaalsContact O-CB 3.26Å; G15-A18 WeakPolarHBondContact O-CB 3.39Å; G15-A18 PolarHBondContact O-N 3.5Å; A18-H20 PolarHBondContact O-N 2.82Å; A18-R21 WeakPolarHBondContact O-CB 3.38Å; A18-R21 PolarHBondContact O-N 2.97Å |
| 19 | A | 57.6 | Low | 59 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G17 F23 | G17-A19 PolarHBondContact O-N 3.41Å; A19-F23 VanDerWaalsContact O-CD2 3.24Å; A19-F23 WeakPolarHBondContact O-CD2 3.37Å; A19-F23 WeakPolarHBondContact O-CE2 3.34Å |
| 20 | H | 63.5 | Low | 61.4 | Low | 125 Ų | 125 | 81.9 Ų | 81.9 | 58% | 0.579 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -78.4 | -24.6 | 179.3 | -68.2 | 68.3 | 0 | 0 | 0 | 112.5 | P16 G17 A18 G22 F23 V24 | P16-H20 PolarHBondContact O-ND1 3.33Å; P16-H20 VanDerWaalsContact O-ND1 3.13Å; G17-H20 WeakPolarHBondContact O-CB 3.44Å; G17-H20 PolarHBondContact O-N 2.93Å; G17-H20 VanDerWaalsContact O-N 3.14Å; A18-H20 PolarHBondContact O-N 2.82Å; H20-G22 VanDerWaalsContact C-N 3.3Å; H20-G22 PolarHBondContact O-N 3.37Å; H20-F23 WeakPolarHBondContact O-CB 3.4Å; H20-F23 PolarHBondContact O-N 3.24Å; H20-F23 VanDerWaalsContact O-N 3.1Å; H20-V24 PolarHBondContact O-N 3.17Å; H20-V24 VanDerWaalsContact O-N 3.17Å |
| 21 | R | 64.6 | Low | 63.5 | Low | 160 Ų | 160 | 81.1 Ų | 81.1 | 60% | 0.604 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.8 | -39.6 | 178 | -163.7 | -177.8 | -166.1 | -163.8 | 5.8 | 112.8 | G17 A18 F23 V24 M25 | G17-R21 PolarHBondContact O-N 3.12Å; G17-R21 VanDerWaalsContact O-N 3.09Å; A18-R21 WeakPolarHBondContact O-CB 3.38Å; A18-R21 PolarHBondContact O-N 2.97Å; R21-F23 VanDerWaalsContact C-N 3.26Å; R21-F23 PolarHBondContact O-N 2.83Å; R21-V24 PolarHBondContact O-N 3.09Å; R21-M25 VanDerWaalsContact O-CG 3.24Å; R21-M25 WeakPolarHBondContact O-CG 3.41Å; R21-M25 PolarHBondContact O-N 3.48Å |
| 22 | G | 66.1 | Low | 65.3 | Low | 12 Ų | 12 | 74.8 Ų | 74.8 | 12% | 0.124 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63 | -32.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H20 M26 V57 | H20-G22 VanDerWaalsContact C-N 3.3Å; H20-G22 PolarHBondContact O-N 3.37Å; G22-M26 PolarHBondContact O-N 3.42Å; G22-V57 WeakPolarHBondContact O-CG2 3.37Å |
| 23 | F | 71.1 | Confident | 67.1 | Low | 61 Ų | 61 | 68.1 Ų | 68.1 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.2 | -43.4 | 176.4 | -65.2 | -79.8 | 0 | 0 | 0 | 112 | A19 H20 R21 M25 M26 E27 H54 V57 | A19-F23 VanDerWaalsContact O-CD2 3.24Å; A19-F23 WeakPolarHBondContact O-CD2 3.37Å; A19-F23 WeakPolarHBondContact O-CE2 3.34Å; H20-F23 WeakPolarHBondContact O-CB 3.4Å; H20-F23 PolarHBondContact O-N 3.24Å; H20-F23 VanDerWaalsContact O-N 3.1Å; R21-F23 VanDerWaalsContact C-N 3.26Å; R21-F23 PolarHBondContact O-N 2.83Å; F23-M25 VanDerWaalsContact C-N 3.32Å; F23-M25 PolarHBondContact O-N 2.95Å; F23-M26 PolarHBondContact O-N 2.95Å; F23-M26 VanDerWaalsContact O-N 3.12Å; F23-E27 PolarHBondContact O-N 2.85Å; F23-H54 AromaticContact CD1-CE1 3.93Å; F23-H54 AromaticContact CD1-ND1 3.37Å; F23-H54 WeakPolarHBondContact CD1-ND1 3.38Å; F23-H54 AromaticContact CE1-CE1 3.99Å; F23-H54 AromaticContact CE1-ND1 3.34Å; F23-H54 VanDerWaalsContact CE1-ND1 3.34Å; F23-H54 WeakPolarHBondContact CE1-ND1 3.34Å; F23-V57 HydrophobicContact CD1-CB 4.22Å; F23-V57 HydrophobicContact CD1-CG1 3.94Å; F23-V57 HydrophobicContact CD1-CG2 4.13Å; F23-V57 HydrophobicContact CD2-CG1 4.36Å; F23-V57 HydrophobicContact CE1-CB 4.05Å; F23-V57 HydrophobicContact CE1-CG1 3.64Å; F23-V57 HydrophobicContact CE1-CG2 4.47Å; F23-V57 HydrophobicContact CE2-CG1 4.09Å; F23-V57 HydrophobicContact CG-CG1 4.31Å; F23-V57 HydrophobicContact CZ-CG1 3.73Å |
| 24 | V | 75.7 | Confident | 68.8 | Low | 92 Ų | 92 | 65.9 Ų | 65.9 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | H20 R21 M26 E27 D28 | H20-V24 PolarHBondContact O-N 3.17Å; H20-V24 VanDerWaalsContact O-N 3.17Å; R21-V24 PolarHBondContact O-N 3.09Å; V24-M26 VanDerWaalsContact C-N 3.28Å; V24-M26 PolarHBondContact O-N 3.43Å; V24-E27 PolarHBondContact O-N 3.32Å; V24-D28 PolarHBondContact O-N 2.85Å |
| 25 | M | 72.6 | Confident | 69.8 | Low | 50 Ų | 50 | 62.5 Ų | 62.5 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -33.1 | 176.7 | -66.3 | -69.2 | -59.8 | 0 | 0 | 112.5 | R21 F23 L29 D135 | R21-M25 VanDerWaalsContact O-CG 3.24Å; R21-M25 WeakPolarHBondContact O-CG 3.41Å; R21-M25 PolarHBondContact O-N 3.48Å; F23-M25 VanDerWaalsContact C-N 3.32Å; F23-M25 PolarHBondContact O-N 2.95Å; M25-L29 VanDerWaalsContact O-CB 3.23Å; M25-L29 WeakPolarHBondContact O-CB 3.41Å; M25-L29 PolarHBondContact O-N 2.9Å; M25-D135 HydrophobicContact CE-CB 4.38Å; M25-D135 WeakPolarHBondContact CE-OD2 3.27Å |
| 26 | M | 76.6 | Confident | 71 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.9 | -36 | 176.2 | -179.6 | 63.6 | -157.9 | 0 | 0 | 111.9 | G22 F23 V24 L29 L30 R53 F56 V57 | G22-M26 PolarHBondContact O-N 3.42Å; F23-M26 PolarHBondContact O-N 2.95Å; F23-M26 VanDerWaalsContact O-N 3.12Å; V24-M26 VanDerWaalsContact C-N 3.28Å; V24-M26 PolarHBondContact O-N 3.43Å; M26-L29 HydrophobicContact SD-CD2 4.14Å; M26-L30 HydrophobicContact CE-CB 4.5Å; M26-L30 HydrophobicContact CE-CD1 4.26Å; M26-L30 VanDerWaalsContact O-CB 3.25Å; M26-L30 WeakPolarHBondContact O-CB 3.39Å; M26-L30 PolarHBondContact O-N 3.5Å; M26-R53 WeakPolarHBondContact CG-O 3.31Å; M26-F56 HydrophobicContact CE-CD2 3.75Å; M26-F56 HydrophobicContact CE-CE2 4.5Å; M26-F56 HydrophobicContact SD-CB 3.88Å; M26-F56 HydrophobicContact SD-CD2 3.83Å; M26-F56 HydrophobicContact SD-CG 4.36Å; M26-V57 HydrophobicContact CB-CG2 3.56Å; M26-V57 HydrophobicContact CG-CG2 3.98Å |
| 27 | E | 78.4 | Confident | 71.9 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 174.6 | -73.4 | -176.6 | 164.2 | 0 | 0 | 111.1 | F23 V24 L29 L30 E31 | F23-E27 PolarHBondContact O-N 2.85Å; V24-E27 PolarHBondContact O-N 3.32Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.44Å; E27-L30 PolarHBondContact O-N 3.48Å; E27-L30 VanDerWaalsContact O-N 3.14Å; E27-E31 WeakPolarHBondContact O-CG 3.34Å; E27-E31 PolarHBondContact O-N 3.46Å |
| 28 | D | 78.5 | Confident | 72.8 | Confident | 62 Ų | 62 | 56 Ų | 56 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.6 | -174.3 | 27 | 0 | 0 | 0 | 111.5 | V24 L30 E31 K32 | V24-D28 PolarHBondContact O-N 2.85Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 3.28Å; D28-E31 PolarHBondContact O-N 3.44Å; D28-K32 WeakPolarHBondContact O-CB 3.49Å; D28-K32 VanDerWaalsContact O-CG 3.29Å; D28-K32 WeakPolarHBondContact O-CG 3.36Å; D28-K32 PolarHBondContact O-N 3.32Å; D28-K32 WeakPolarHBondContact OD1-CE 3.34Å; D28-K32 IonicContact OD1-NZ 3.65Å; D28-K32 WeakPolarHBondContact OD2-CE 3.36Å; D28-K32 IonicContact OD2-NZ 2.87Å; D28-K32 PolarHBondContact OD2-NZ 2.83Å |
| 29 | L | 80.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.1 | 174 | 62 | 0 | 0 | 0 | 112.2 | M25 M26 E27 E31 K32 L33 L134 A138 | M25-L29 VanDerWaalsContact O-CB 3.23Å; M25-L29 WeakPolarHBondContact O-CB 3.41Å; M25-L29 PolarHBondContact O-N 2.9Å; M26-L29 HydrophobicContact SD-CD2 4.14Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.44Å; L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.91Å; L29-K32 PolarHBondContact O-N 2.85Å; L29-L33 HydrophobicContact CD1-CD1 4.02Å; L29-L33 HydrophobicContact CD1-CG 3.98Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.31Å; L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 3.48Å; L29-L134 HydrophobicContact CD1-CB 3.81Å; L29-L134 HydrophobicContact CD2-CB 3.59Å; L29-L134 HydrophobicContact CD2-CD1 3.94Å; L29-L134 HydrophobicContact CD2-CG 4.44Å; L29-L134 HydrophobicContact CG-CB 4.37Å; L29-A138 HydrophobicContact CD1-CB 4.08Å |
| 30 | L | 79.3 | Confident | 73.4 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.8 | -37.1 | -178.9 | -172 | 147.1 | 0 | 0 | 0 | 111.5 | M26 E27 D28 L33 K34 L51 | M26-L30 HydrophobicContact CE-CB 4.5Å; M26-L30 HydrophobicContact CE-CD1 4.26Å; M26-L30 VanDerWaalsContact O-CB 3.25Å; M26-L30 WeakPolarHBondContact O-CB 3.39Å; M26-L30 PolarHBondContact O-N 3.5Å; E27-L30 PolarHBondContact O-N 3.48Å; E27-L30 VanDerWaalsContact O-N 3.14Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 3.28Å; L30-L33 PolarHBondContact O-N 3.34Å; L30-K34 HydrophobicContact CD2-CD 3.84Å; L30-K34 VanDerWaalsContact CD2-CE 3.41Å; L30-K34 HydrophobicContact CD2-CG 4.39Å; L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 WeakPolarHBondContact O-CG 3.47Å; L30-K34 PolarHBondContact O-N 2.89Å; L30-L51 HydrophobicContact CD1-CB 4.31Å; L30-L51 WeakPolarHBondContact CD1-O 3.41Å |
| 31 | E | 79.8 | Confident | 73.5 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 58% | 0.575 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.5 | -47.3 | 171.6 | -70.9 | -179.4 | -172.5 | 0 | 0 | 111.5 | E27 D28 L29 L33 K34 L35 | E27-E31 WeakPolarHBondContact O-CG 3.34Å; E27-E31 PolarHBondContact O-N 3.46Å; D28-E31 PolarHBondContact O-N 3.44Å; L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.91Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 2.69Å; E31-K34 WeakPolarHBondContact O-CB 3.37Å; E31-K34 PolarHBondContact O-N 2.88Å; E31-L35 VanDerWaalsContact O-CG 3.3Å; E31-L35 WeakPolarHBondContact O-CG 3.39Å; E31-L35 PolarHBondContact O-N 3.31Å |
| 32 | K | 78.1 | Confident | 73.5 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 174.9 | -71.3 | 169.9 | 178.1 | 165.4 | 0 | 112.2 | D28 L29 L35 L36 D135 A138 E139 L142 | D28-K32 WeakPolarHBondContact O-CB 3.49Å; D28-K32 VanDerWaalsContact O-CG 3.29Å; D28-K32 WeakPolarHBondContact O-CG 3.36Å; D28-K32 PolarHBondContact O-N 3.32Å; D28-K32 WeakPolarHBondContact OD1-CE 3.34Å; D28-K32 IonicContact OD1-NZ 3.65Å; D28-K32 WeakPolarHBondContact OD2-CE 3.36Å; D28-K32 IonicContact OD2-NZ 2.87Å; D28-K32 PolarHBondContact OD2-NZ 2.83Å; L29-K32 PolarHBondContact O-N 2.85Å; K32-L35 PolarHBondContact O-N 2.83Å; K32-L36 WeakPolarHBondContact O-CG 3.39Å; K32-L36 PolarHBondContact O-N 2.83Å; K32-D135 WeakPolarHBondContact CD-OD1 3.35Å; K32-D135 IonicContact NZ-OD1 2.85Å; K32-D135 PolarHBondContact NZ-OD1 2.84Å; K32-D135 IonicContact NZ-OD2 2.65Å; K32-A138 HydrophobicContact CB-CB 4.12Å; K32-E139 HydrophobicContact CD-CG 4.44Å; K32-E139 IonicContact NZ-OE1 3.42Å; K32-E139 PolarHBondContact NZ-OE1 3.33Å; K32-E139 VanDerWaalsContact NZ-OE1 3.09Å; K32-L142 HydrophobicContact CB-CD1 3.86Å; K32-L142 HydrophobicContact CD-CD1 4.41Å; K32-L142 HydrophobicContact CG-CD1 3.75Å |
| 33 | L | 77.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 176.1 | -72.9 | 173.2 | 0 | 0 | 0 | 112 | L29 L30 E31 L35 L36 N37 Y38 L51 I76 W79 L80 | L29-L33 HydrophobicContact CD1-CD1 4.02Å; L29-L33 HydrophobicContact CD1-CG 3.98Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.31Å; L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 3.48Å; L30-L33 PolarHBondContact O-N 3.34Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 2.69Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.88Å; L33-L36 CarbonylContact O-C 3.5Å; L33-L36 WeakPolarHBondContact O-CA 3.27Å; L33-L36 PolarHBondContact O-N 3.31Å; L33-L36 VanDerWaalsContact O-N 3.07Å; L33-N37 PolarHBondContact O-N 2.85Å; L33-Y38 HydrophobicContact CB-CD1 3.75Å; L33-Y38 HydrophobicContact CB-CE1 4.29Å; L33-Y38 HydrophobicContact CB-CG 3.89Å; L33-Y38 VanDerWaalsContact O-CD1 3.23Å; L33-Y38 WeakPolarHBondContact O-CD1 3.31Å; L33-Y38 PolarHBondContact O-N 3.4Å; L33-L51 HydrophobicContact CD1-CD1 3.92Å; L33-I76 HydrophobicContact CD2-CG2 3.96Å; L33-W79 HydrophobicContact CD2-CZ3 3.95Å; L33-L80 HydrophobicContact CD2-CD1 4.26Å; L33-L80 HydrophobicContact CD2-CD2 4.1Å; L33-L80 HydrophobicContact CD2-CG 4.5Å |
| 34 | K | 77.9 | Confident | 73.1 | Confident | 108 Ų | 108 | 55 Ų | 55 | 47% | 0.47 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 173.5 | -80.4 | 178.3 | 175.8 | 175 | 0 | 111.9 | L30 E31 L36 N37 Y38 | L30-K34 HydrophobicContact CD2-CD 3.84Å; L30-K34 VanDerWaalsContact CD2-CE 3.41Å; L30-K34 HydrophobicContact CD2-CG 4.39Å; L30-K34 WeakPolarHBondContact O-CB 3.49Å; L30-K34 WeakPolarHBondContact O-CG 3.47Å; L30-K34 PolarHBondContact O-N 2.89Å; E31-K34 WeakPolarHBondContact O-CB 3.37Å; E31-K34 PolarHBondContact O-N 2.88Å; K34-L36 PolarHBondContact O-N 3.44Å; K34-N37 PolarHBondContact O-N 3.32Å; K34-N37 PolarHBondContact O-OD1 3.32Å; K34-Y38 HydrophobicContact CB-CE1 4.47Å; K34-Y38 HydrophobicContact CG-CD1 4.36Å; K34-Y38 HydrophobicContact CG-CE1 3.66Å |
| 35 | L | 75.3 | Confident | 72.6 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 38% | 0.377 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -26.2 | 175.3 | -69.8 | 171.1 | 0 | 0 | 0 | 112.7 | E31 K32 L33 L142 F147 | E31-L35 VanDerWaalsContact O-CG 3.3Å; E31-L35 WeakPolarHBondContact O-CG 3.39Å; E31-L35 PolarHBondContact O-N 3.31Å; K32-L35 PolarHBondContact O-N 2.83Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.88Å; L35-L142 HydrophobicContact CB-CD2 4.24Å; L35-F147 HydrophobicContact CD1-CE1 3.86Å; L35-F147 HydrophobicContact CD1-CZ 3.83Å; L35-F147 HydrophobicContact CD2-CE2 3.94Å; L35-F147 HydrophobicContact CD2-CZ 3.77Å; L35-F147 HydrophobicContact CG-CZ 4.34Å |
| 36 | L | 71.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.2 | 175.2 | -67.9 | 171 | 0 | 0 | 0 | 113.7 | K32 L33 K34 Y38 W79 L80 V83 A141 L142 R145 | K32-L36 WeakPolarHBondContact O-CG 3.39Å; K32-L36 PolarHBondContact O-N 2.83Å; L33-L36 CarbonylContact O-C 3.5Å; L33-L36 WeakPolarHBondContact O-CA 3.27Å; L33-L36 PolarHBondContact O-N 3.31Å; L33-L36 VanDerWaalsContact O-N 3.07Å; K34-L36 PolarHBondContact O-N 3.44Å; L36-Y38 PolarHBondContact O-N 2.88Å; L36-W79 HydrophobicContact CB-CH2 3.56Å; L36-W79 HydrophobicContact CB-CZ2 4.35Å; L36-W79 HydrophobicContact CB-CZ3 4.3Å; L36-W79 WeakPolarHBondContact O-CH2 3.44Å; L36-W79 WeakPolarHBondContact O-CZ2 3.48Å; L36-L80 HydrophobicContact CD1-CD2 3.68Å; L36-V83 HydrophobicContact CD2-CG1 4.5Å; L36-A141 HydrophobicContact CD1-CB 3.94Å; L36-L142 HydrophobicContact CD1-CD2 4.39Å; L36-L142 HydrophobicContact CD1-CG 4.12Å; L36-L142 HydrophobicContact CD2-CD2 3.6Å; L36-L142 HydrophobicContact CD2-CG 4Å; L36-L142 HydrophobicContact CG-CD2 3.73Å; L36-L142 HydrophobicContact CG-CG 4.01Å; L36-R145 VanDerWaalsContact CA-NH1 3.29Å; L36-R145 PolarHBondContact O-NH1 3.4Å |
| 37 | N | 72.6 | Confident | 71.5 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 41.5 | -177 | -66.4 | -7.5 | 0 | 0 | 0 | 114.3 | L33 K34 E39 E40 E41 | L33-N37 PolarHBondContact O-N 2.85Å; K34-N37 PolarHBondContact O-N 3.32Å; K34-N37 PolarHBondContact O-OD1 3.32Å; N37-E39 PolarHBondContact O-N 2.96Å; N37-E39 VanDerWaalsContact O-N 3.12Å; N37-E40 PolarHBondContact O-N 3.11Å; N37-E41 PolarHBondContact O-N 3.36Å |
| 38 | Y | 73.2 | Confident | 71 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.5 | -24.5 | 178.1 | 84.4 | -69.6 | 0 | 0 | 0 | 114 | L33 K34 L36 V42 L43 L51 | L33-Y38 HydrophobicContact CB-CD1 3.75Å; L33-Y38 HydrophobicContact CB-CE1 4.29Å; L33-Y38 HydrophobicContact CB-CG 3.89Å; L33-Y38 VanDerWaalsContact O-CD1 3.23Å; L33-Y38 WeakPolarHBondContact O-CD1 3.31Å; L33-Y38 PolarHBondContact O-N 3.4Å; K34-Y38 HydrophobicContact CB-CE1 4.47Å; K34-Y38 HydrophobicContact CG-CD1 4.36Å; K34-Y38 HydrophobicContact CG-CE1 3.66Å; L36-Y38 PolarHBondContact O-N 2.88Å; Y38-V42 WeakPolarHBondContact O-CB 3.41Å; Y38-V42 PolarHBondContact O-N 2.96Å; Y38-V42 VanDerWaalsContact O-N 3.1Å; Y38-L43 HydrophobicContact CD2-CD1 4Å; Y38-L43 HydrophobicContact CD2-CG 4.13Å; Y38-L43 HydrophobicContact CE2-CD1 3.49Å; Y38-L43 VanDerWaalsContact CE2-CD1 3.49Å; Y38-L43 HydrophobicContact CE2-CG 4.09Å; Y38-L43 PolarHBondContact O-N 3.35Å; Y38-L43 VanDerWaalsContact O-N 3.17Å; Y38-L51 HydrophobicContact CD2-CD1 4.03Å; Y38-L51 HydrophobicContact CE2-CB 4.22Å; Y38-L51 HydrophobicContact CE2-CD1 3.56Å; Y38-L51 HydrophobicContact CE2-CG 3.82Å |
| 39 | E | 65.9 | Low | 70.4 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -65.7 | -39.9 | 179 | -74.9 | 170 | -164 | 0 | 0 | 112.6 | N37 L43 V44 | N37-E39 PolarHBondContact O-N 2.96Å; N37-E39 VanDerWaalsContact O-N 3.12Å; E39-L43 HydrophobicContact CB-CD1 4.42Å; E39-L43 HydrophobicContact CG-CD1 3.88Å; E39-L43 WeakPolarHBondContact O-CB 3.34Å; E39-V44 WeakPolarHBondContact O-CG2 3.47Å; E39-V44 PolarHBondContact O-N 3.15Å |
| 40 | E | 63 | Low | 69.7 | Low | 142 Ų | 142 | 71.6 Ų | 71.6 | 66% | 0.664 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -87.2 | -38.1 | -179 | -65.2 | -175.3 | 166.2 | 0 | 0 | 112.3 | N37 | N37-E40 PolarHBondContact O-N 3.11Å |
| 41 | E | 65.1 | Low | 69.2 | Low | 70 Ų | 70 | 71.3 Ų | 71.3 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -85.5 | -30.6 | -172.7 | -70.4 | -170 | -163.5 | 0 | 0 | 114.2 | N37 K45 W79 | N37-E41 PolarHBondContact O-N 3.36Å; E41-K45 WeakPolarHBondContact O-CD 3.38Å; E41-K45 WeakPolarHBondContact O-CE 3.34Å; E41-K45 WeakPolarHBondContact O-CG 3.44Å; E41-W79 HydrophobicContact CB-CZ2 4.23Å; E41-W79 PolarHBondContact OE2-NE1 3.28Å |
| 42 | V | 64.8 | Low | 68.8 | Low | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -114.1 | -49.6 | -173.4 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | Y38 K45 H46 M48 I75 W79 | Y38-V42 WeakPolarHBondContact O-CB 3.41Å; Y38-V42 PolarHBondContact O-N 2.96Å; Y38-V42 VanDerWaalsContact O-N 3.1Å; V42-K45 PolarHBondContact O-N 3.49Å; V42-H46 PolarHBondContact O-CD2 3.49Å; V42-H46 PolarHBondContact O-N 3.05Å; V42-H46 VanDerWaalsContact O-N 3.16Å; V42-M48 HydrophobicContact CG1-CE 4.37Å; V42-I75 HydrophobicContact CG1-CG2 3.72Å; V42-W79 HydrophobicContact CG2-CB 3.9Å; V42-W79 HydrophobicContact CG2-CD2 3.31Å; V42-W79 HydrophobicContact CG2-CE3 3.77Å; V42-W79 HydrophobicContact CG2-CG 3.37Å; V42-W79 HydrophobicContact CG2-CZ2 4.28Å; V42-W79 HydrophobicContact CG2-CZ3 4.39Å |
| 43 | L | 64.7 | Low | 68.2 | Low | 14 Ų | 14 | 75 Ų | 75 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -69.1 | -39 | -174.4 | -66 | 179.6 | 0 | 0 | 0 | 112.8 | Y38 E39 N47 M48 | Y38-L43 HydrophobicContact CD2-CD1 4Å; Y38-L43 HydrophobicContact CD2-CG 4.13Å; Y38-L43 HydrophobicContact CE2-CD1 3.49Å; Y38-L43 VanDerWaalsContact CE2-CD1 3.49Å; Y38-L43 HydrophobicContact CE2-CG 4.09Å; Y38-L43 PolarHBondContact O-N 3.35Å; Y38-L43 VanDerWaalsContact O-N 3.17Å; E39-L43 HydrophobicContact CB-CD1 4.42Å; E39-L43 HydrophobicContact CG-CD1 3.88Å; E39-L43 WeakPolarHBondContact O-CB 3.34Å; L43-N47 WeakPolarHBondContact O-CA 3.48Å; L43-N47 PolarHBondContact O-N 3.05Å; L43-M48 HydrophobicContact CD2-CB 3.77Å; L43-M48 PolarHBondContact O-N 2.78Å |
| 44 | V | 63.7 | Low | 67.9 | Low | 112 Ų | 112 | 77.5 Ų | 77.5 | 68% | 0.679 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.5 | -39.7 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | E39 H46 | E39-V44 WeakPolarHBondContact O-CG2 3.47Å; E39-V44 PolarHBondContact O-N 3.15Å; V44-H46 PolarHBondContact O-N 3.32Å |
| 45 | K | 65.9 | Low | 67.6 | Low | 149 Ų | 149 | 73.6 Ų | 73.6 | 65% | 0.648 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.3 | -34 | -178.6 | -71.7 | -169.6 | -169 | 163 | 0 | 113.4 | E41 V42 | E41-K45 WeakPolarHBondContact O-CD 3.38Å; E41-K45 WeakPolarHBondContact O-CE 3.34Å; E41-K45 WeakPolarHBondContact O-CG 3.44Å; V42-K45 PolarHBondContact O-N 3.49Å |
| 46 | H | 63.9 | Low | 67.4 | Low | 54 Ų | 54 | 70.1 Ų | 70.1 | 25% | 0.25 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -106.5 | 6.7 | -177 | -64.3 | -79.5 | 0 | 0 | 0 | 113.7 | V42 V44 M48 E90 | V42-H46 PolarHBondContact O-CD2 3.49Å; V42-H46 PolarHBondContact O-N 3.05Å; V42-H46 VanDerWaalsContact O-N 3.16Å; V44-H46 PolarHBondContact O-N 3.32Å; H46-M48 VanDerWaalsContact C-N 3.29Å; H46-M48 HydrophobicContact CB-CE 3.31Å; H46-M48 HydrophobicContact CB-CG 3.72Å; H46-M48 HydrophobicContact CB-SD 4.02Å; H46-M48 VanDerWaalsContact O-CG 3.23Å; H46-M48 WeakPolarHBondContact O-CG 3.39Å; H46-M48 PolarHBondContact O-N 2.88Å; H46-E90 IonicContact CE1-OE2 2.81Å |
| 47 | N | 62.5 | Low | 67.3 | Low | 157 Ų | 157 | 71 Ų | 71 | 84% | 0.84 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 43.5 | -179.3 | -167.3 | 41.8 | 0 | 0 | 0 | 113.4 | L43 | L43-N47 WeakPolarHBondContact O-CA 3.48Å; L43-N47 PolarHBondContact O-N 3.05Å |
| 48 | M | 67.5 | Low | 66.8 | Low | 34 Ų | 34 | 71.2 Ų | 71.2 | 17% | 0.167 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 151.2 | -172.5 | -61 | -159.4 | -84.2 | 0 | 0 | 111.9 | V42 L43 H46 Y71 M72 I75 | V42-M48 HydrophobicContact CG1-CE 4.37Å; L43-M48 HydrophobicContact CD2-CB 3.77Å; L43-M48 PolarHBondContact O-N 2.78Å; H46-M48 VanDerWaalsContact C-N 3.29Å; H46-M48 HydrophobicContact CB-CE 3.31Å; H46-M48 HydrophobicContact CB-CG 3.72Å; H46-M48 HydrophobicContact CB-SD 4.02Å; H46-M48 VanDerWaalsContact O-CG 3.23Å; H46-M48 WeakPolarHBondContact O-CG 3.39Å; H46-M48 PolarHBondContact O-N 2.88Å; M48-Y71 HydrophobicContact SD-CD1 4.4Å; M48-Y71 HydrophobicContact SD-CE1 4.3Å; M48-M72 HydrophobicContact CB-CE 3.67Å; M48-M72 HydrophobicContact CB-SD 4.03Å; M48-M72 HydrophobicContact CE-SD 3.7Å; M48-M72 HydrophobicContact CG-CE 4.34Å; M48-M72 HydrophobicContact CG-SD 4.2Å; M48-M72 HydrophobicContact SD-CE 4.03Å; M48-M72 HydrophobicContact SD-CG 3.92Å; M48-M72 HydrophobicContact SD-SD 3.2Å; M48-I75 HydrophobicContact CE-CB 4.15Å; M48-I75 HydrophobicContact CE-CD1 3.56Å; M48-I75 HydrophobicContact CE-CG1 4.46Å; M48-I75 HydrophobicContact CE-CG2 3.81Å; M48-I75 HydrophobicContact SD-CD1 4.31Å |
| 49 | K | 66.6 | Low | 65.7 | Low | 168 Ų | 168 | 72.2 Ų | 72.2 | 73% | 0.73 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 147.3 | -179.7 | -68.6 | 177.2 | -178 | 169.5 | 0 | 111.1 | L51 | K49-L51 PolarHBondContact O-N 2.81Š|
| 50 | S | 65.9 | Low | 64.9 | Low | 80 Ų | 80 | 73.3 Ų | 73.3 | 56% | 0.559 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 135.9 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | T52 | S50-T52 PolarHBondContact O-N 3.34Š|
| 51 | L | 68.9 | Low | 64.1 | Low | 11 Ų | 11 | 76.6 Ų | 76.6 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 125.2 | 179.2 | -65 | 173.3 | 0 | 0 | 0 | 110.1 | L30 L33 Y38 K49 Y55 F56 M72 I76 | L30-L51 HydrophobicContact CD1-CB 4.31Å; L30-L51 WeakPolarHBondContact CD1-O 3.41Å; L33-L51 HydrophobicContact CD1-CD1 3.92Å; Y38-L51 HydrophobicContact CD2-CD1 4.03Å; Y38-L51 HydrophobicContact CE2-CB 4.22Å; Y38-L51 HydrophobicContact CE2-CD1 3.56Å; Y38-L51 HydrophobicContact CE2-CG 3.82Å; K49-L51 PolarHBondContact O-N 2.81Å; L51-Y55 HydrophobicContact CD2-CD1 3.49Å; L51-Y55 VanDerWaalsContact CD2-CD1 3.49Å; L51-Y55 HydrophobicContact CD2-CE1 3.88Å; L51-Y55 HydrophobicContact CD2-CG 3.93Å; L51-F56 HydrophobicContact CD1-CE2 4.1Å; L51-F56 HydrophobicContact CD2-CE2 3.75Å; L51-F56 HydrophobicContact CD2-CZ 4.13Å; L51-M72 HydrophobicContact CD2-CE 4.28Å; L51-I76 HydrophobicContact CD1-CD1 3.88Å; L51-I76 HydrophobicContact CD2-CD1 4.44Å |
| 52 | T | 70.3 | Confident | 63.5 | Low | 74 Ų | 74 | 77.2 Ų | 77.2 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 151.4 | 171 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | S50 H54 Y55 | S50-T52 PolarHBondContact O-N 3.34Å; T52-H54 PolarHBondContact O-N 3.43Å; T52-Y55 VanDerWaalsContact O-CB 3.26Å; T52-Y55 WeakPolarHBondContact O-CB 3.3Å; T52-Y55 PolarHBondContact O-N 2.92Å |
| 53 | R | 66.6 | Low | 62.6 | Low | 148 Ų | 148 | 82.4 Ų | 82.4 | 56% | 0.558 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -11.3 | 175 | 64.2 | 175.6 | -174.4 | -168.9 | 0.3 | 116.3 | M26 | M26-R53 WeakPolarHBondContact CG-O 3.31Š|
| 54 | H | 70.6 | Confident | 62.2 | Low | 53 Ų | 53 | 83.1 Ų | 83.1 | 25% | 0.245 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 10.7 | -179.8 | -53.1 | -50.1 | 0 | 0 | 0 | 113.4 | F23 T52 L62 | F23-H54 AromaticContact CD1-CE1 3.93Å; F23-H54 AromaticContact CD1-ND1 3.37Å; F23-H54 WeakPolarHBondContact CD1-ND1 3.38Å; F23-H54 AromaticContact CE1-CE1 3.99Å; F23-H54 AromaticContact CE1-ND1 3.34Å; F23-H54 VanDerWaalsContact CE1-ND1 3.34Å; F23-H54 WeakPolarHBondContact CE1-ND1 3.34Å; T52-H54 PolarHBondContact O-N 3.43Å; H54-L62 HydrophobicContact CB-CD2 4.38Å |
| 55 | Y | 71.3 | Confident | 62.5 | Low | 25 Ų | 25 | 82.6 Ų | 82.6 | 10% | 0.098 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -70.4 | -43.5 | -166.3 | -169.8 | -95.2 | 0 | 0 | 0 | 113.9 | L51 T52 Q69 M72 | L51-Y55 HydrophobicContact CD2-CD1 3.49Å; L51-Y55 VanDerWaalsContact CD2-CD1 3.49Å; L51-Y55 HydrophobicContact CD2-CE1 3.88Å; L51-Y55 HydrophobicContact CD2-CG 3.93Å; T52-Y55 VanDerWaalsContact O-CB 3.26Å; T52-Y55 WeakPolarHBondContact O-CB 3.3Å; T52-Y55 PolarHBondContact O-N 2.92Å; Y55-Q69 HydrophobicContact CE1-CG 4.43Å; Y55-Q69 PolarHBondContact O-NE2 2.91Å; Y55-M72 HydrophobicContact CE1-CB 4.13Å; Y55-M72 HydrophobicContact CE1-CE 4.34Å; Y55-M72 HydrophobicContact CE1-CG 4.17Å |
| 56 | F | 70.7 | Confident | 62.7 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -96.8 | -9.3 | 178 | -67.1 | -67.2 | 0 | 0 | 0 | 113.9 | M26 L51 M72 F73 I76 G125 S126 G127 V130 L134 | M26-F56 HydrophobicContact CE-CD2 3.75Å; M26-F56 HydrophobicContact CE-CE2 4.5Å; M26-F56 HydrophobicContact SD-CB 3.88Å; M26-F56 HydrophobicContact SD-CD2 3.83Å; M26-F56 HydrophobicContact SD-CG 4.36Å; L51-F56 HydrophobicContact CD1-CE2 4.1Å; L51-F56 HydrophobicContact CD2-CE2 3.75Å; L51-F56 HydrophobicContact CD2-CZ 4.13Å; F56-M72 HydrophobicContact CE1-CB 4.34Å; F56-M72 HydrophobicContact CZ-CB 4.2Å; F56-F73 HydrophobicContact CE1-CB 4.1Å; F56-I76 HydrophobicContact CE2-CD1 3.97Å; F56-I76 HydrophobicContact CZ-CD1 3.8Å; F56-G125 WeakPolarHBondContact CD1-O 3.33Å; F56-S126 CarbonylContact O-C 3.59Å; F56-S126 WeakPolarHBondContact O-CA 2.98Å; F56-G127 PolarHBondContact O-N 2.99Å; F56-V130 HydrophobicContact CD1-CG1 4.1Å; F56-L134 HydrophobicContact CD2-CD1 4.23Å; F56-L134 HydrophobicContact CE2-CD1 4.12Å; F56-L134 HydrophobicContact CZ-CD1 4.35Å |
| 57 | V | 70.7 | Confident | 63.1 | Low | 17 Ų | 17 | 78.7 Ų | 78.7 | 10% | 0.103 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -79 | 125.8 | 175.2 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | G22 F23 M26 S59 | G22-V57 WeakPolarHBondContact O-CG2 3.37Å; F23-V57 HydrophobicContact CD1-CB 4.22Å; F23-V57 HydrophobicContact CD1-CG1 3.94Å; F23-V57 HydrophobicContact CD1-CG2 4.13Å; F23-V57 HydrophobicContact CD2-CG1 4.36Å; F23-V57 HydrophobicContact CE1-CB 4.05Å; F23-V57 HydrophobicContact CE1-CG1 3.64Å; F23-V57 HydrophobicContact CE1-CG2 4.47Å; F23-V57 HydrophobicContact CE2-CG1 4.09Å; F23-V57 HydrophobicContact CG-CG1 4.31Å; F23-V57 HydrophobicContact CZ-CG1 3.73Å; M26-V57 HydrophobicContact CB-CG2 3.56Å; M26-V57 HydrophobicContact CG-CG2 3.98Å; V57-S59 PolarHBondContact O-N 3.37Å |
| 58 | S | 61.7 | Low | 63.8 | Low | 84 Ų | 84 | 75.6 Ų | 75.6 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | trans | -62.1 | 85.2 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 59 | S | 49.8 | Very low | 64.3 | Low | 24 Ų | 24 | 74.6 Ų | 74.6 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | trans | -93.9 | 120.2 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | V57 Y61 L62 | V57-S59 PolarHBondContact O-N 3.37Å; S59-Y61 PolarHBondContact O-N 3.1Å; S59-Y61 PolarHBondContact OG-N 3.33Å; S59-L62 PolarHBondContact O-N 2.86Å | ||
| 60 | P | 49.8 | Very low | 64.9 | Low | 117 Ų | 117 | 67.9 Ų | 67.9 | 76% | 0.76 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -15 | 172.1 | -22.4 | 32 | 0 | 0 | 0 | 113.8 | ||
| 61 | Y | 44.8 | Very low | 65.5 | Low | 211 Ų | 211 | 67.3 Ų | 67.3 | 83% | 0.827 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -6.7 | -172.6 | -52.8 | -77.9 | 0 | 0 | 0 | 113.6 | S59 | S59-Y61 PolarHBondContact O-N 3.1Å; S59-Y61 PolarHBondContact OG-N 3.33Å |
| 62 | L | 52.8 | Low | 65.9 | Low | 84 Ų | 84 | 66.9 Ų | 66.9 | 44% | 0.44 | 37% | 0.37 | S | S | . | . | trans | -110.3 | 101.8 | 174.6 | -123.2 | 73 | 0 | 0 | 0 | 108.7 | H54 S59 S64 | H54-L62 HydrophobicContact CB-CD2 4.38Å; S59-L62 PolarHBondContact O-N 2.86Å; L62-S64 PolarHBondContact O-N 3.31Å | ||
| 63 | A | 45.6 | Very low | 66.6 | Low | 114 Ų | 114 | 63.4 Ų | 63.4 | 94% | 0.942 | 35% | 0.349 | S | S | * | . | trans | -70.1 | 79.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 64 | S | 56.6 | Low | 67.2 | Low | 30 Ų | 30 | 56.6 Ų | 56.6 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | trans | -98.9 | 139.3 | 172.6 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | L62 P66 Q69 | L62-S64 PolarHBondContact O-N 3.31Å; S64-P66 VanDerWaalsContact O-CD 3.27Å; S64-P66 WeakPolarHBondContact O-CD 3.49Å; S64-Q69 VanDerWaalsContact CB-CD 3.46Å; S64-Q69 WeakPolarHBondContact OG-CG 3.18Å; S64-Q69 PolarHBondContact OG-NE2 3.46Å | ||
| 65 | N | 69.6 | Low | 67.7 | Low | 101 Ų | 101 | 54.3 Ų | 54.3 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | trans | -69.9 | 117.9 | 179.9 | -176.5 | -10.9 | 0 | 0 | 0 | 108.8 | G67 E68 Q69 | N65-G67 PolarHBondContact O-N 3.36Å; N65-G67 VanDerWaalsContact O-N 3.07Å; N65-G67 PolarHBondContact OD1-N 3.06Å; N65-G67 VanDerWaalsContact OD1-N 3.14Å; N65-E68 HydrophobicContact CB-CB 4.07Å; N65-E68 PolarHBondContact O-N 2.85Å; N65-Q69 PolarHBondContact O-N 3.28Å | ||
| 66 | P | 71.1 | Confident | 68.1 | Low | 76 Ų | 76 | 53.4 Ų | 53.4 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.9 | -28.7 | -178.4 | -26.1 | 35.5 | 0 | 0 | 0 | 113.4 | S64 F70 | S64-P66 VanDerWaalsContact O-CD 3.27Å; S64-P66 WeakPolarHBondContact O-CD 3.49Å; P66-F70 VanDerWaalsContact O-CB 3.24Å; P66-F70 WeakPolarHBondContact O-CB 3.29Å; P66-F70 PolarHBondContact O-N 3.35Å |
| 67 | G | 72.3 | Confident | 68.7 | Low | 45 Ų | 45 | 53.4 Ų | 53.4 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N65 F70 Y71 | N65-G67 PolarHBondContact O-N 3.36Å; N65-G67 VanDerWaalsContact O-N 3.07Å; N65-G67 PolarHBondContact OD1-N 3.06Å; N65-G67 VanDerWaalsContact OD1-N 3.14Å; G67-F70 PolarHBondContact O-N 2.93Å; G67-Y71 WeakPolarHBondContact O-CB 3.21Å; G67-Y71 PolarHBondContact O-N 3.42Å |
| 68 | E | 77.1 | Confident | 69.2 | Low | 92 Ų | 92 | 52.6 Ų | 52.6 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.9 | -41.7 | 177 | -173.1 | -175.2 | 169.6 | 0 | 0 | 110.9 | N65 F70 Y71 M72 | N65-E68 HydrophobicContact CB-CB 4.07Å; N65-E68 PolarHBondContact O-N 2.85Å; E68-F70 VanDerWaalsContact C-N 3.34Å; E68-F70 PolarHBondContact O-N 3.13Å; E68-Y71 PolarHBondContact O-N 2.93Å; E68-M72 WeakPolarHBondContact O-CB 3.41Å; E68-M72 WeakPolarHBondContact O-CG 3.36Å; E68-M72 PolarHBondContact O-N 3Å |
| 69 | Q | 76.5 | Confident | 70.2 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.3 | -67.8 | -176.8 | -47.2 | 0 | 0 | 112.1 | Y55 S64 N65 F73 S126 | Y55-Q69 HydrophobicContact CE1-CG 4.43Å; Y55-Q69 PolarHBondContact O-NE2 2.91Å; S64-Q69 VanDerWaalsContact CB-CD 3.46Å; S64-Q69 WeakPolarHBondContact OG-CG 3.18Å; S64-Q69 PolarHBondContact OG-NE2 3.46Å; N65-Q69 PolarHBondContact O-N 3.28Å; Q69-F73 WeakPolarHBondContact O-CB 3.25Å; Q69-F73 PolarHBondContact O-N 3.28Å; Q69-S126 PolarHBondContact OE1-OG 2.92Å |
| 70 | F | 79.3 | Confident | 71.6 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.7 | -179.1 | -100.3 | 0 | 0 | 0 | 111.3 | P66 G67 E68 M72 F73 T74 P97 V101 | P66-F70 VanDerWaalsContact O-CB 3.24Å; P66-F70 WeakPolarHBondContact O-CB 3.29Å; P66-F70 PolarHBondContact O-N 3.35Å; G67-F70 PolarHBondContact O-N 2.93Å; E68-F70 VanDerWaalsContact C-N 3.34Å; E68-F70 PolarHBondContact O-N 3.13Å; F70-M72 PolarHBondContact O-N 3.4Å; F70-F73 HydrophobicContact CD2-CD1 4.46Å; F70-F73 HydrophobicContact CE2-CD1 4.5Å; F70-F73 WeakPolarHBondContact O-CB 3.23Å; F70-F73 PolarHBondContact O-N 2.96Å; F70-T74 HydrophobicContact CD1-CG2 4.26Å; F70-T74 HydrophobicContact CE1-CG2 3.78Å; F70-T74 HydrophobicContact CE2-CG2 4.14Å; F70-T74 HydrophobicContact CZ-CG2 3.71Å; F70-T74 WeakPolarHBondContact O-CG2 3.49Å; F70-T74 PolarHBondContact O-N 3.33Å; F70-T74 PolarHBondContact O-OG1 3.44Å; F70-P97 HydrophobicContact CE1-CB 3.67Å; F70-P97 HydrophobicContact CE1-CG 4.21Å; F70-P97 HydrophobicContact CZ-CB 3.63Å; F70-V101 HydrophobicContact CE2-CG2 3.55Å; F70-V101 HydrophobicContact CZ-CG2 3.76Å |
| 71 | Y | 80 | Confident | 73.1 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 27% | 0.271 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 176 | -178.3 | -114.3 | 0 | 0 | 0 | 111.7 | M48 G67 E68 F73 T74 I75 E93 | M48-Y71 HydrophobicContact SD-CD1 4.4Å; M48-Y71 HydrophobicContact SD-CE1 4.3Å; G67-Y71 WeakPolarHBondContact O-CB 3.21Å; G67-Y71 PolarHBondContact O-N 3.42Å; E68-Y71 PolarHBondContact O-N 2.93Å; Y71-F73 PolarHBondContact O-N 2.69Å; Y71-T74 WeakPolarHBondContact CA-OG1 3.4Å; Y71-T74 PolarHBondContact O-N 3.47Å; Y71-T74 VanDerWaalsContact O-N 3.15Å; Y71-T74 PolarHBondContact O-OG1 2.94Å; Y71-I75 HydrophobicContact CD1-CD1 3.87Å; Y71-I75 HydrophobicContact CD2-CD1 4.22Å; Y71-I75 HydrophobicContact CE1-CD1 3.35Å; Y71-I75 HydrophobicContact CE2-CD1 3.74Å; Y71-I75 HydrophobicContact CE2-CG1 4.32Å; Y71-I75 HydrophobicContact CG-CD1 4.29Å; Y71-I75 PolarHBondContact O-N 3.23Å; Y71-E93 HydrophobicContact CD2-CG 4.32Å; Y71-E93 HydrophobicContact CE2-CG 3.79Å |
| 72 | M | 77.3 | Confident | 74.8 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.7 | -47.4 | 173.7 | -84.5 | -80.7 | -132.5 | 0 | 0 | 112.9 | M48 L51 Y55 F56 E68 F70 T74 I75 I76 | M48-M72 HydrophobicContact CB-CE 3.67Å; M48-M72 HydrophobicContact CB-SD 4.03Å; M48-M72 HydrophobicContact CE-SD 3.7Å; M48-M72 HydrophobicContact CG-CE 4.34Å; M48-M72 HydrophobicContact CG-SD 4.2Å; M48-M72 HydrophobicContact SD-CE 4.03Å; M48-M72 HydrophobicContact SD-CG 3.92Å; M48-M72 HydrophobicContact SD-SD 3.2Å; L51-M72 HydrophobicContact CD2-CE 4.28Å; Y55-M72 HydrophobicContact CE1-CB 4.13Å; Y55-M72 HydrophobicContact CE1-CE 4.34Å; Y55-M72 HydrophobicContact CE1-CG 4.17Å; F56-M72 HydrophobicContact CE1-CB 4.34Å; F56-M72 HydrophobicContact CZ-CB 4.2Å; E68-M72 WeakPolarHBondContact O-CB 3.41Å; E68-M72 WeakPolarHBondContact O-CG 3.36Å; E68-M72 PolarHBondContact O-N 3Å; F70-M72 PolarHBondContact O-N 3.4Å; M72-T74 VanDerWaalsContact C-N 3.34Å; M72-T74 PolarHBondContact O-N 2.82Å; M72-I75 PolarHBondContact O-N 3.26Å; M72-I76 VanDerWaalsContact O-CG1 3.29Å; M72-I76 WeakPolarHBondContact O-CG1 3.3Å; M72-I76 PolarHBondContact O-N 3.45Å |
| 73 | F | 83.4 | Confident | 76 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 175.4 | 162.4 | -109.6 | 0 | 0 | 0 | 111.6 | F56 Q69 F70 Y71 I75 I76 A77 I104 L122 V130 V133 L134 | F56-F73 HydrophobicContact CE1-CB 4.1Å; Q69-F73 WeakPolarHBondContact O-CB 3.25Å; Q69-F73 PolarHBondContact O-N 3.28Å; F70-F73 HydrophobicContact CD2-CD1 4.46Å; F70-F73 HydrophobicContact CE2-CD1 4.5Å; F70-F73 WeakPolarHBondContact O-CB 3.23Å; F70-F73 PolarHBondContact O-N 2.96Å; Y71-F73 PolarHBondContact O-N 2.69Å; F73-I75 PolarHBondContact O-N 2.95Å; F73-I76 PolarHBondContact O-N 3.4Å; F73-A77 HydrophobicContact CE2-CB 4.47Å; F73-A77 VanDerWaalsContact O-CB 3.23Å; F73-A77 WeakPolarHBondContact O-CB 3.34Å; F73-A77 PolarHBondContact O-N 2.85Å; F73-I104 HydrophobicContact CE1-CD1 4.43Å; F73-L122 HydrophobicContact CE1-CB 4.49Å; F73-L122 HydrophobicContact CZ-CD1 4.41Å; F73-L122 HydrophobicContact CZ-CD2 4.41Å; F73-V130 HydrophobicContact CB-CG1 4.23Å; F73-V130 HydrophobicContact CD2-CG1 3.41Å; F73-V130 VanDerWaalsContact CD2-CG1 3.41Å; F73-V130 HydrophobicContact CE2-CG1 3.87Å; F73-V130 HydrophobicContact CG-CG1 3.88Å; F73-V133 HydrophobicContact CE2-CB 4.3Å; F73-V133 HydrophobicContact CE2-CG1 3.8Å; F73-V133 HydrophobicContact CZ-CG1 3.9Å; F73-L134 HydrophobicContact CD2-CD1 3.97Å; F73-L134 HydrophobicContact CD2-CD2 3.78Å; F73-L134 HydrophobicContact CD2-CG 3.8Å; F73-L134 HydrophobicContact CE2-CD2 3.88Å; F73-L134 HydrophobicContact CE2-CG 3.92Å |
| 74 | T | 80.6 | Confident | 77.2 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | -177.9 | 53.9 | 0 | 0 | 0 | 0 | 113 | F70 Y71 M72 A78 T100 I104 | F70-T74 HydrophobicContact CD1-CG2 4.26Å; F70-T74 HydrophobicContact CE1-CG2 3.78Å; F70-T74 HydrophobicContact CE2-CG2 4.14Å; F70-T74 HydrophobicContact CZ-CG2 3.71Å; F70-T74 WeakPolarHBondContact O-CG2 3.49Å; F70-T74 PolarHBondContact O-N 3.33Å; F70-T74 PolarHBondContact O-OG1 3.44Å; Y71-T74 WeakPolarHBondContact CA-OG1 3.4Å; Y71-T74 PolarHBondContact O-N 3.47Å; Y71-T74 VanDerWaalsContact O-N 3.15Å; Y71-T74 PolarHBondContact O-OG1 2.94Å; M72-T74 VanDerWaalsContact C-N 3.34Å; M72-T74 PolarHBondContact O-N 2.82Å; T74-A78 VanDerWaalsContact O-CB 3.24Å; T74-A78 WeakPolarHBondContact O-CB 3.45Å; T74-A78 PolarHBondContact O-N 3.36Å; T74-T100 HydrophobicContact CG2-CG2 3.99Å; T74-I104 HydrophobicContact CG2-CD1 4.37Å |
| 75 | I | 81.5 | Confident | 77.6 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.8 | -47.2 | 176.5 | -70.6 | 176.4 | 0 | 0 | 0 | 111.2 | V42 M48 Y71 M72 F73 A77 A78 W79 | V42-I75 HydrophobicContact CG1-CG2 3.72Å; M48-I75 HydrophobicContact CE-CB 4.15Å; M48-I75 HydrophobicContact CE-CD1 3.56Å; M48-I75 HydrophobicContact CE-CG1 4.46Å; M48-I75 HydrophobicContact CE-CG2 3.81Å; M48-I75 HydrophobicContact SD-CD1 4.31Å; Y71-I75 HydrophobicContact CD1-CD1 3.87Å; Y71-I75 HydrophobicContact CD2-CD1 4.22Å; Y71-I75 HydrophobicContact CE1-CD1 3.35Å; Y71-I75 HydrophobicContact CE2-CD1 3.74Å; Y71-I75 HydrophobicContact CE2-CG1 4.32Å; Y71-I75 HydrophobicContact CG-CD1 4.29Å; Y71-I75 PolarHBondContact O-N 3.23Å; M72-I75 PolarHBondContact O-N 3.26Å; F73-I75 PolarHBondContact O-N 2.95Å; I75-A77 VanDerWaalsContact C-N 3.32Å; I75-A77 PolarHBondContact O-N 3.25Å; I75-A78 PolarHBondContact O-N 3.47Å; I75-W79 WeakPolarHBondContact O-CB 3.48Å; I75-W79 PolarHBondContact O-N 2.91Å |
| 76 | I | 79.8 | Confident | 77.7 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 179.9 | -64.7 | 169.4 | 0 | 0 | 0 | 109.8 | L33 L51 F56 M72 F73 A78 W79 L80 L134 | L33-I76 HydrophobicContact CD2-CG2 3.96Å; L51-I76 HydrophobicContact CD1-CD1 3.88Å; L51-I76 HydrophobicContact CD2-CD1 4.44Å; F56-I76 HydrophobicContact CE2-CD1 3.97Å; F56-I76 HydrophobicContact CZ-CD1 3.8Å; M72-I76 VanDerWaalsContact O-CG1 3.29Å; M72-I76 WeakPolarHBondContact O-CG1 3.3Å; M72-I76 PolarHBondContact O-N 3.45Å; F73-I76 PolarHBondContact O-N 3.4Å; I76-A78 PolarHBondContact O-N 2.85Å; I76-W79 PolarHBondContact O-N 3.38Å; I76-L80 HydrophobicContact CG2-CD1 3.93Å; I76-L80 HydrophobicContact CG2-CG 4.26Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.36Å; I76-L80 PolarHBondContact O-N 2.89Å; I76-L134 HydrophobicContact CB-CD2 4.34Å; I76-L134 HydrophobicContact CG2-CD2 3.95Å |
| 77 | A | 81.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F73 I75 W79 L80 I81 I104 L134 L137 | F73-A77 HydrophobicContact CE2-CB 4.47Å; F73-A77 VanDerWaalsContact O-CB 3.23Å; F73-A77 WeakPolarHBondContact O-CB 3.34Å; F73-A77 PolarHBondContact O-N 2.85Å; I75-A77 VanDerWaalsContact C-N 3.32Å; I75-A77 PolarHBondContact O-N 3.25Å; A77-W79 PolarHBondContact O-N 3.07Å; A77-L80 PolarHBondContact O-N 2.92Å; A77-I81 WeakPolarHBondContact O-CD1 3.37Å; A77-I81 WeakPolarHBondContact O-CG1 2.99Å; A77-I81 PolarHBondContact O-N 3.38Å; A77-I104 HydrophobicContact CB-CD1 3.86Å; A77-I104 HydrophobicContact CB-CG1 4.33Å; A77-I104 HydrophobicContact CB-CG2 4.13Å; A77-L134 HydrophobicContact CB-CD2 4.06Å; A77-L137 HydrophobicContact CB-CD1 4.02Å |
| 78 | A | 81.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T74 I75 I76 I81 N82 F88 P91 | T74-A78 VanDerWaalsContact O-CB 3.24Å; T74-A78 WeakPolarHBondContact O-CB 3.45Å; T74-A78 PolarHBondContact O-N 3.36Å; I75-A78 PolarHBondContact O-N 3.47Å; I76-A78 PolarHBondContact O-N 2.85Å; A78-I81 PolarHBondContact O-N 2.83Å; A78-N82 PolarHBondContact O-N 3.43Å; A78-N82 PolarHBondContact O-ND2 2.83Å; A78-N82 VanDerWaalsContact O-ND2 3.14Å; A78-F88 HydrophobicContact CB-CD1 3.47Å; A78-F88 VanDerWaalsContact CB-CD1 3.47Å; A78-F88 HydrophobicContact CB-CE1 3.78Å; A78-P91 HydrophobicContact CB-CG 4.38Å |
| 79 | W | 81.9 | Confident | 76.5 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 11% | 0.106 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -47 | 176.3 | 172.7 | 72.6 | 0 | 0 | 0 | 111.7 | L33 L36 E41 V42 I75 I76 A77 I81 N82 V83 | L33-W79 HydrophobicContact CD2-CZ3 3.95Å; L36-W79 HydrophobicContact CB-CH2 3.56Å; L36-W79 HydrophobicContact CB-CZ2 4.35Å; L36-W79 HydrophobicContact CB-CZ3 4.3Å; L36-W79 WeakPolarHBondContact O-CH2 3.44Å; L36-W79 WeakPolarHBondContact O-CZ2 3.48Å; E41-W79 HydrophobicContact CB-CZ2 4.23Å; E41-W79 PolarHBondContact OE2-NE1 3.28Å; V42-W79 HydrophobicContact CG2-CB 3.9Å; V42-W79 HydrophobicContact CG2-CD2 3.31Å; V42-W79 HydrophobicContact CG2-CE3 3.77Å; V42-W79 HydrophobicContact CG2-CG 3.37Å; V42-W79 HydrophobicContact CG2-CZ2 4.28Å; V42-W79 HydrophobicContact CG2-CZ3 4.39Å; I75-W79 WeakPolarHBondContact O-CB 3.48Å; I75-W79 PolarHBondContact O-N 2.91Å; I76-W79 PolarHBondContact O-N 3.38Å; A77-W79 PolarHBondContact O-N 3.07Å; W79-I81 VanDerWaalsContact C-N 3.3Å; W79-I81 PolarHBondContact O-N 3.07Å; W79-N82 WeakPolarHBondContact O-CB 3.3Å; W79-N82 PolarHBondContact O-N 3.38Å; W79-N82 VanDerWaalsContact O-N 3.1Å; W79-V83 HydrophobicContact CD2-CG2 4.15Å; W79-V83 HydrophobicContact CG-CG2 4.34Å; W79-V83 HydrophobicContact CZ2-CG2 4.18Å; W79-V83 WeakPolarHBondContact O-CG2 3.41Å; W79-V83 PolarHBondContact O-N 2.92Å |
| 80 | L | 79.9 | Confident | 76 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 178.4 | -71.3 | 174.3 | 0 | 0 | 0 | 112.3 | L33 L36 I76 A77 V83 A84 L134 L137 A138 A141 | L33-L80 HydrophobicContact CD2-CD1 4.26Å; L33-L80 HydrophobicContact CD2-CD2 4.1Å; L33-L80 HydrophobicContact CD2-CG 4.5Å; L36-L80 HydrophobicContact CD1-CD2 3.68Å; I76-L80 HydrophobicContact CG2-CD1 3.93Å; I76-L80 HydrophobicContact CG2-CG 4.26Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.36Å; I76-L80 PolarHBondContact O-N 2.89Å; A77-L80 PolarHBondContact O-N 2.92Å; L80-V83 PolarHBondContact O-N 2.94Å; L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.45Å; L80-A84 PolarHBondContact O-N 2.94Å; L80-L134 HydrophobicContact CD1-CD2 4.2Å; L80-L137 HydrophobicContact CB-CB 3.91Å; L80-L137 HydrophobicContact CD1-CB 3.84Å; L80-A138 HydrophobicContact CD1-CB 4.26Å; L80-A138 HydrophobicContact CD2-CB 4.31Å; L80-A141 HydrophobicContact CD2-CB 4.05Å |
| 81 | I | 81 | Confident | 75.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.7 | -66 | 163.8 | 0 | 0 | 0 | 110.9 | A77 A78 W79 A84 G85 R86 F88 I104 E107 F111 L137 | A77-I81 WeakPolarHBondContact O-CD1 3.37Å; A77-I81 WeakPolarHBondContact O-CG1 2.99Å; A77-I81 PolarHBondContact O-N 3.38Å; A78-I81 PolarHBondContact O-N 2.83Å; W79-I81 VanDerWaalsContact C-N 3.3Å; W79-I81 PolarHBondContact O-N 3.07Å; I81-A84 CarbonylContact O-C 3.48Å; I81-A84 PolarHBondContact O-N 2.79Å; I81-G85 PolarHBondContact O-N 3.46Å; I81-R86 CarbonylContact C-O 3.6Å; I81-R86 HydrophobicContact CG2-CB 3.81Å; I81-R86 PolarHBondContact O-N 3.35Å; I81-R86 VanDerWaalsContact O-N 3.16Å; I81-R86 VanDerWaalsContact O-O 3.11Å; I81-F88 HydrophobicContact CB-CB 4.02Å; I81-F88 HydrophobicContact CB-CG 4.45Å; I81-F88 HydrophobicContact CD1-CD2 4.01Å; I81-F88 HydrophobicContact CD1-CE2 4.3Å; I81-F88 HydrophobicContact CD1-CG 4.15Å; I81-F88 HydrophobicContact CG2-CB 3.64Å; I81-F88 HydrophobicContact CG2-CD2 4.39Å; I81-F88 HydrophobicContact CG2-CG 4.25Å; I81-I104 HydrophobicContact CD1-CG1 4.35Å; I81-I104 HydrophobicContact CD1-CG2 4.37Å; I81-E107 HydrophobicContact CD1-CB 4.19Å; I81-E107 HydrophobicContact CG2-CB 4.43Å; I81-E107 HydrophobicContact CG2-CG 4.38Å; I81-F111 HydrophobicContact CG2-CE2 4.49Å; I81-L137 HydrophobicContact CD1-CD1 4.46Å; I81-L137 HydrophobicContact CG1-CD1 4.24Å; I81-L137 HydrophobicContact CG1-CD2 3.79Å |
| 82 | N | 80.8 | Confident | 74.4 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.1 | -76.9 | -40.7 | 0 | 0 | 0 | 112.3 | A78 W79 A84 G85 R86 F88 | A78-N82 PolarHBondContact O-N 3.43Å; A78-N82 PolarHBondContact O-ND2 2.83Å; A78-N82 VanDerWaalsContact O-ND2 3.14Å; W79-N82 WeakPolarHBondContact O-CB 3.3Å; W79-N82 PolarHBondContact O-N 3.38Å; W79-N82 VanDerWaalsContact O-N 3.1Å; N82-A84 VanDerWaalsContact C-N 3.32Å; N82-G85 PolarHBondContact O-N 2.9Å; N82-G85 VanDerWaalsContact O-N 3.1Å; N82-R86 VanDerWaalsContact CA-O 3.3Å; N82-R86 WeakPolarHBondContact CA-O 3.43Å; N82-R86 PolarHBondContact OD1-O 2.77Å; N82-R86 VanDerWaalsContact OD1-O 3.11Å; N82-F88 PolarHBondContact ND2-O 2.81Å; N82-F88 PolarHBondContact OD1-N 2.78Å; N82-F88 PolarHBondContact OD1-O 2.84Å |
| 83 | V | 76.9 | Confident | 73.4 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -34.1 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | L36 W79 L80 G85 A141 N144 | L36-V83 HydrophobicContact CD2-CG1 4.5Å; W79-V83 HydrophobicContact CD2-CG2 4.15Å; W79-V83 HydrophobicContact CG-CG2 4.34Å; W79-V83 HydrophobicContact CZ2-CG2 4.18Å; W79-V83 WeakPolarHBondContact O-CG2 3.41Å; W79-V83 PolarHBondContact O-N 2.92Å; L80-V83 PolarHBondContact O-N 2.94Å; V83-G85 PolarHBondContact O-N 2.83Å; V83-G85 VanDerWaalsContact O-N 3.14Å; V83-A141 HydrophobicContact CB-CB 4.24Å; V83-A141 HydrophobicContact CG1-CB 3.93Å; V83-N144 PolarHBondContact O-ND2 3.35Å |
| 84 | A | 72.3 | Confident | 72.1 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 6.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L80 I81 N82 F111 A141 | L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.45Å; L80-A84 PolarHBondContact O-N 2.94Å; I81-A84 CarbonylContact O-C 3.48Å; I81-A84 PolarHBondContact O-N 2.79Å; N82-A84 VanDerWaalsContact C-N 3.32Å; A84-F111 HydrophobicContact CB-CE1 4Å; A84-F111 HydrophobicContact CB-CE2 4.41Å; A84-F111 HydrophobicContact CB-CZ 3.62Å; A84-A141 HydrophobicContact CB-CB 4.47Å |
| 85 | G | 65.2 | Low | 71.5 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 10.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I81 N82 V83 | I81-G85 PolarHBondContact O-N 3.46Å; N82-G85 PolarHBondContact O-N 2.9Å; N82-G85 VanDerWaalsContact O-N 3.1Å; V83-G85 PolarHBondContact O-N 2.83Å; V83-G85 VanDerWaalsContact O-N 3.14Å |
| 86 | R | 71.3 | Confident | 71.1 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 35% | 0.347 | 35% | 0.348 | S | S | . | . | trans | -109.8 | 135.2 | 175 | -65.3 | -167.6 | 178.2 | -128.8 | -4.7 | 110.5 | I81 N82 F88 E107 A110 F111 | I81-R86 CarbonylContact C-O 3.6Å; I81-R86 HydrophobicContact CG2-CB 3.81Å; I81-R86 PolarHBondContact O-N 3.35Å; I81-R86 VanDerWaalsContact O-N 3.16Å; I81-R86 VanDerWaalsContact O-O 3.11Å; N82-R86 VanDerWaalsContact CA-O 3.3Å; N82-R86 WeakPolarHBondContact CA-O 3.43Å; N82-R86 PolarHBondContact OD1-O 2.77Å; N82-R86 VanDerWaalsContact OD1-O 3.11Å; R86-F88 PolarHBondContact O-N 3.26Å; R86-E107 WeakPolarHBondContact CD-OE2 3.33Å; R86-E107 IonicContact CZ-OE2 3.43Å; R86-E107 IonicContact NE-OE2 3.47Å; R86-E107 IonicContact NH1-OE2 3.53Å; R86-E107 PolarHBondContact NH1-OE2 3.37Å; R86-A110 PolarHBondContact NH2-O 2.85Å; R86-F111 HydrophobicContact CB-CZ 4.26Å; R86-F111 HydrophobicContact CG-CE1 4.11Å; R86-F111 HydrophobicContact CG-CE2 4.42Å; R86-F111 HydrophobicContact CG-CZ 3.61Å | ||
| 87 | R | 63.1 | Low | 70.8 | Confident | 250 Ų | 250 | 74.5 Ų | 74.5 | 94% | 0.943 | 36% | 0.363 | S | S | * | . | trans | -75.2 | 109 | 179.8 | -68.2 | -172.8 | 177.9 | -172 | -0.7 | 110.1 | ||||
| 88 | F | 71.1 | Confident | 70.6 | Confident | 24 Ų | 24 | 78.6 Ų | 78.6 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | trans | -119.4 | 124 | 173.5 | -166 | -91 | 0 | 0 | 0 | 109.4 | A78 I81 N82 R86 P91 N103 I104 E107 | A78-F88 HydrophobicContact CB-CD1 3.47Å; A78-F88 VanDerWaalsContact CB-CD1 3.47Å; A78-F88 HydrophobicContact CB-CE1 3.78Å; I81-F88 HydrophobicContact CB-CB 4.02Å; I81-F88 HydrophobicContact CB-CG 4.45Å; I81-F88 HydrophobicContact CD1-CD2 4.01Å; I81-F88 HydrophobicContact CD1-CE2 4.3Å; I81-F88 HydrophobicContact CD1-CG 4.15Å; I81-F88 HydrophobicContact CG2-CB 3.64Å; I81-F88 HydrophobicContact CG2-CD2 4.39Å; I81-F88 HydrophobicContact CG2-CG 4.25Å; N82-F88 PolarHBondContact ND2-O 2.81Å; N82-F88 PolarHBondContact OD1-N 2.78Å; N82-F88 PolarHBondContact OD1-O 2.84Å; R86-F88 PolarHBondContact O-N 3.26Å; F88-P91 HydrophobicContact CE1-CG 3.86Å; F88-N103 HydrophobicContact CE2-CB 3.95Å; F88-N103 HydrophobicContact CZ-CB 4.29Å; F88-I104 HydrophobicContact CE1-CG1 4.23Å; F88-I104 HydrophobicContact CE2-CG1 4.19Å; F88-I104 HydrophobicContact CZ-CD1 4.47Å; F88-I104 HydrophobicContact CZ-CG1 3.62Å; F88-E107 HydrophobicContact CD2-CG 4.24Å | ||
| 89 | T | 60.8 | Low | 70.5 | Confident | 119 Ų | 119 | 80.5 Ų | 80.5 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 131.7 | 177.9 | 47 | 0 | 0 | 0 | 0 | 109.7 | P91 | T89-P91 WeakPolarHBondContact O-CD 3.41Š|
| 90 | E | 66.2 | Low | 70.3 | Confident | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 120.5 | 174.1 | -70.4 | 175.9 | -167.9 | 0 | 0 | 109.6 | H46 Q92 | H46-E90 IonicContact CE1-OE2 2.81Å; E90-Q92 PolarHBondContact O-N 2.96Å |
| 91 | P | 64.5 | Low | 70.4 | Confident | 12 Ų | 12 | 79.8 Ų | 79.8 | 8% | 0.078 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 130.1 | -179.7 | -23.2 | 35.6 | 0 | 0 | 0 | 110.8 | A78 F88 T89 D95 T100 | A78-P91 HydrophobicContact CB-CG 4.38Å; F88-P91 HydrophobicContact CE1-CG 3.86Å; T89-P91 WeakPolarHBondContact O-CD 3.41Å; P91-D95 WeakPolarHBondContact CA-OD2 3.4Å; P91-T100 HydrophobicContact CB-CG2 3.66Å; P91-T100 HydrophobicContact CG-CG2 3.51Å |
| 92 | Q | 60.5 | Low | 70.4 | Confident | 137 Ų | 137 | 82.1 Ų | 82.1 | 64% | 0.64 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 157.3 | 175.3 | -66.8 | -169.7 | -5.2 | 0 | 0 | 110.9 | E90 Y94 D95 | E90-Q92 PolarHBondContact O-N 2.96Å; Q92-Y94 PolarHBondContact O-N 3.44Å; Q92-D95 PolarHBondContact N-OD2 3.17Å; Q92-D95 WeakPolarHBondContact O-CB 3.28Å; Q92-D95 PolarHBondContact O-N 2.91Å |
| 93 | E | 57.7 | Low | 70.5 | Confident | 146 Ų | 146 | 83.6 Ų | 83.6 | 68% | 0.682 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -16.1 | 179.3 | -66.6 | -177.6 | 174.4 | 0 | 0 | 114.2 | Y71 | Y71-E93 HydrophobicContact CD2-CG 4.32Å; Y71-E93 HydrophobicContact CE2-CG 3.79Å |
| 94 | Y | 56.1 | Low | 70.8 | Confident | 203 Ų | 203 | 81.9 Ų | 81.9 | 80% | 0.796 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.2 | 179.6 | -61.3 | -74.8 | 0 | 0 | 0 | 114.4 | Q92 | Q92-Y94 PolarHBondContact O-N 3.44Š|
| 95 | D | 66.9 | Low | 71.2 | Confident | 72 Ų | 72 | 81.4 Ų | 81.4 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -72.1 | 140 | 179.4 | -72.2 | -28.7 | 0 | 0 | 0 | 111.1 | P91 Q92 P97 | P91-D95 WeakPolarHBondContact CA-OD2 3.4Å; Q92-D95 PolarHBondContact N-OD2 3.17Å; Q92-D95 WeakPolarHBondContact O-CB 3.28Å; Q92-D95 PolarHBondContact O-N 2.91Å; D95-P97 WeakPolarHBondContact O-CD 3.45Å; D95-P97 VanDerWaalsContact O-N 3.15Å |
| 96 | E | 73.3 | Confident | 72 | Confident | 146 Ų | 146 | 80.8 Ų | 80.8 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | trans | -61.3 | 117.9 | 178.7 | -71 | -169.2 | 173.2 | 0 | 0 | 110.5 | N98 A99 T100 | E96-N98 PolarHBondContact O-N 3.33Å; E96-A99 HydrophobicContact CB-CB 4.04Å; E96-A99 WeakPolarHBondContact O-CB 3.38Å; E96-A99 PolarHBondContact O-N 2.89Å; E96-T100 PolarHBondContact O-N 3.19Å; E96-T100 VanDerWaalsContact O-N 3.14Å; E96-T100 PolarHBondContact O-OG1 2.88Å | ||
| 97 | P | 72.8 | Confident | 72.3 | Confident | 53 Ų | 53 | 78.8 Ų | 78.8 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54.4 | -36 | -172.6 | -31.6 | 37 | 0 | 0 | 0 | 114.1 | F70 D95 V101 | F70-P97 HydrophobicContact CE1-CB 3.67Å; F70-P97 HydrophobicContact CE1-CG 4.21Å; F70-P97 HydrophobicContact CZ-CB 3.63Å; D95-P97 WeakPolarHBondContact O-CD 3.45Å; D95-P97 VanDerWaalsContact O-N 3.15Å; P97-V101 WeakPolarHBondContact O-CB 3.48Å; P97-V101 WeakPolarHBondContact O-CG2 3.22Å; P97-V101 PolarHBondContact O-N 3.25Å; P97-V101 VanDerWaalsContact O-N 3.12Å |
| 98 | N | 78.1 | Confident | 73.1 | Confident | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.5 | -32.6 | -179.9 | -67.8 | -22.9 | 0 | 0 | 0 | 112.6 | E96 S102 | E96-N98 PolarHBondContact O-N 3.33Å; N98-S102 VanDerWaalsContact O-CB 3.28Å; N98-S102 WeakPolarHBondContact O-CB 3.41Å; N98-S102 PolarHBondContact O-N 3.47Å; N98-S102 PolarHBondContact O-OG 3.46Å |
| 99 | A | 79.4 | Confident | 73.6 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.1 | -46.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | E96 V101 S102 N103 | E96-A99 HydrophobicContact CB-CB 4.04Å; E96-A99 WeakPolarHBondContact O-CB 3.38Å; E96-A99 PolarHBondContact O-N 2.89Å; A99-V101 PolarHBondContact O-N 2.83Å; A99-S102 PolarHBondContact O-N 3.02Å; A99-S102 VanDerWaalsContact O-N 3.15Å; A99-N103 VanDerWaalsContact O-CG 3.22Å; A99-N103 PolarHBondContact O-N 2.87Å; A99-N103 PolarHBondContact O-ND2 3.49Å |
| 100 | T | 79 | Confident | 74.5 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.3 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | T74 P91 E96 S102 N103 I104 | T74-T100 HydrophobicContact CG2-CG2 3.99Å; P91-T100 HydrophobicContact CB-CG2 3.66Å; P91-T100 HydrophobicContact CG-CG2 3.51Å; E96-T100 PolarHBondContact O-N 3.19Å; E96-T100 VanDerWaalsContact O-N 3.14Å; E96-T100 PolarHBondContact O-OG1 2.88Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.04Å; T100-N103 PolarHBondContact O-N 3.38Å; T100-I104 HydrophobicContact CG2-CD1 4.09Å; T100-I104 WeakPolarHBondContact O-CG1 3.05Å; T100-I104 PolarHBondContact O-N 3.15Å |
| 101 | V | 81.4 | Confident | 74.8 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | F70 P97 A99 N103 I104 L105 P119 L122 | F70-V101 HydrophobicContact CE2-CG2 3.55Å; F70-V101 HydrophobicContact CZ-CG2 3.76Å; P97-V101 WeakPolarHBondContact O-CB 3.48Å; P97-V101 WeakPolarHBondContact O-CG2 3.22Å; P97-V101 PolarHBondContact O-N 3.25Å; P97-V101 VanDerWaalsContact O-N 3.12Å; A99-V101 PolarHBondContact O-N 2.83Å; V101-N103 VanDerWaalsContact C-N 3.31Å; V101-N103 PolarHBondContact O-N 3.03Å; V101-I104 PolarHBondContact O-N 2.93Å; V101-L105 HydrophobicContact CG1-CD1 4.13Å; V101-L105 HydrophobicContact CG1-CG 4.32Å; V101-L105 WeakPolarHBondContact O-CB 3.29Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.29Å; V101-P119 HydrophobicContact CG1-CB 3.81Å; V101-L122 HydrophobicContact CG1-CB 3.9Å; V101-L122 HydrophobicContact CG1-CD1 3.54Å; V101-L122 HydrophobicContact CG1-CG 4.31Å; V101-L122 HydrophobicContact CG2-CB 4.32Å |
| 102 | S | 82 | Confident | 75 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 178.5 | -62 | 0 | 0 | 0 | 0 | 112.1 | N98 A99 T100 L105 A106 | N98-S102 VanDerWaalsContact O-CB 3.28Å; N98-S102 WeakPolarHBondContact O-CB 3.41Å; N98-S102 PolarHBondContact O-N 3.47Å; N98-S102 PolarHBondContact O-OG 3.46Å; A99-S102 PolarHBondContact O-N 3.02Å; A99-S102 VanDerWaalsContact O-N 3.15Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.04Å; S102-L105 PolarHBondContact O-N 2.99Å; S102-A106 WeakPolarHBondContact O-CB 3.3Å; S102-A106 PolarHBondContact O-N 3.25Å |
| 103 | N | 82.1 | Confident | 75.6 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 175.4 | -66.9 | -19.9 | 0 | 0 | 0 | 111.6 | F88 A99 T100 V101 L105 A106 E107 | F88-N103 HydrophobicContact CE2-CB 3.95Å; F88-N103 HydrophobicContact CZ-CB 4.29Å; A99-N103 VanDerWaalsContact O-CG 3.22Å; A99-N103 PolarHBondContact O-N 2.87Å; A99-N103 PolarHBondContact O-ND2 3.49Å; T100-N103 PolarHBondContact O-N 3.38Å; V101-N103 VanDerWaalsContact C-N 3.31Å; V101-N103 PolarHBondContact O-N 3.03Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 2.9Å; N103-A106 WeakPolarHBondContact O-CB 3.19Å; N103-A106 PolarHBondContact O-N 3.47Å; N103-A106 VanDerWaalsContact O-N 3.15Å; N103-E107 PolarHBondContact O-N 3.37Å |
| 104 | I | 82.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.4 | -67.6 | 165.2 | 0 | 0 | 0 | 110.6 | F73 T74 A77 I81 F88 T100 V101 A106 E107 L108 V133 L137 | F73-I104 HydrophobicContact CE1-CD1 4.43Å; T74-I104 HydrophobicContact CG2-CD1 4.37Å; A77-I104 HydrophobicContact CB-CD1 3.86Å; A77-I104 HydrophobicContact CB-CG1 4.33Å; A77-I104 HydrophobicContact CB-CG2 4.13Å; I81-I104 HydrophobicContact CD1-CG1 4.35Å; I81-I104 HydrophobicContact CD1-CG2 4.37Å; F88-I104 HydrophobicContact CE1-CG1 4.23Å; F88-I104 HydrophobicContact CE2-CG1 4.19Å; F88-I104 HydrophobicContact CZ-CD1 4.47Å; F88-I104 HydrophobicContact CZ-CG1 3.62Å; T100-I104 HydrophobicContact CG2-CD1 4.09Å; T100-I104 WeakPolarHBondContact O-CG1 3.05Å; T100-I104 PolarHBondContact O-N 3.15Å; V101-I104 PolarHBondContact O-N 2.93Å; I104-A106 VanDerWaalsContact C-N 3.34Å; I104-A106 PolarHBondContact O-N 2.9Å; I104-E107 PolarHBondContact O-N 3.41Å; I104-L108 PolarHBondContact O-N 2.96Å; I104-V133 HydrophobicContact CG2-CG1 4.21Å; I104-L137 HydrophobicContact CG2-CD1 4.33Å |
| 105 | L | 81 | Confident | 76.8 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68 | -31.6 | 177.2 | -70.7 | -176.4 | 0 | 0 | 0 | 112.9 | V101 S102 N103 L108 R109 V115 F117 P119 L122 V133 | V101-L105 HydrophobicContact CG1-CD1 4.13Å; V101-L105 HydrophobicContact CG1-CG 4.32Å; V101-L105 WeakPolarHBondContact O-CB 3.29Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.29Å; S102-L105 PolarHBondContact O-N 2.99Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 2.9Å; L105-L108 HydrophobicContact CD2-CD1 3.89Å; L105-R109 WeakPolarHBondContact O-CG 3.42Å; L105-R109 PolarHBondContact O-N 3.44Å; L105-R109 VanDerWaalsContact O-N 3.07Å; L105-V115 HydrophobicContact CD1-CG1 4.48Å; L105-V115 HydrophobicContact CD2-CG1 3.74Å; L105-V115 HydrophobicContact CD2-CG2 4.24Å; L105-F117 HydrophobicContact CD2-CE2 4.41Å; L105-P119 HydrophobicContact CD1-CB 4.47Å; L105-P119 HydrophobicContact CD1-CG 4.13Å; L105-L122 HydrophobicContact CD1-CD1 4.17Å; L105-L122 HydrophobicContact CD2-CD1 3.89Å; L105-L122 HydrophobicContact CG-CD1 4.13Å; L105-V133 HydrophobicContact CD2-CG2 4.28Å |
| 106 | A | 81.9 | Confident | 76.7 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S102 N103 I104 R109 A110 | S102-A106 WeakPolarHBondContact O-CB 3.3Å; S102-A106 PolarHBondContact O-N 3.25Å; N103-A106 WeakPolarHBondContact O-CB 3.19Å; N103-A106 PolarHBondContact O-N 3.47Å; N103-A106 VanDerWaalsContact O-N 3.15Å; I104-A106 VanDerWaalsContact C-N 3.34Å; I104-A106 PolarHBondContact O-N 2.9Å; A106-R109 PolarHBondContact O-N 3.27Å; A106-A110 PolarHBondContact O-N 3.15Å |
| 107 | E | 79.1 | Confident | 76.9 | Confident | 51 Ų | 51 | 55 Ų | 55 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 175.5 | -67.7 | -54.7 | 150.5 | 0 | 0 | 112.1 | I81 R86 F88 N103 I104 R109 A110 F111 | I81-E107 HydrophobicContact CD1-CB 4.19Å; I81-E107 HydrophobicContact CG2-CB 4.43Å; I81-E107 HydrophobicContact CG2-CG 4.38Å; R86-E107 WeakPolarHBondContact CD-OE2 3.33Å; R86-E107 IonicContact CZ-OE2 3.43Å; R86-E107 IonicContact NE-OE2 3.47Å; R86-E107 IonicContact NH1-OE2 3.53Å; R86-E107 PolarHBondContact NH1-OE2 3.37Å; F88-E107 HydrophobicContact CD2-CG 4.24Å; N103-E107 PolarHBondContact O-N 3.37Å; I104-E107 PolarHBondContact O-N 3.41Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 2.9Å; E107-A110 CarbonylContact O-C 3.55Å; E107-A110 WeakPolarHBondContact O-CA 3.47Å; E107-A110 WeakPolarHBondContact O-CB 3.32Å; E107-A110 PolarHBondContact O-N 3.01Å; E107-F111 HydrophobicContact CB-CE2 4.48Å; E107-F111 WeakPolarHBondContact O-CD2 3.31Å; E107-F111 PolarHBondContact O-N 3.34Å |
| 108 | L | 79.6 | Confident | 77 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 172.3 | -93.3 | 174.5 | 0 | 0 | 0 | 113.5 | I104 L105 A110 F111 G112 V113 V115 V133 R136 L137 | I104-L108 PolarHBondContact O-N 2.96Å; L105-L108 HydrophobicContact CD2-CD1 3.89Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.69Å; L108-F111 PolarHBondContact O-N 2.93Å; L108-G112 PolarHBondContact O-N 2.88Å; L108-V113 HydrophobicContact CD2-CB 4.4Å; L108-V113 HydrophobicContact CD2-CG2 4.33Å; L108-V113 PolarHBondContact O-N 2.86Å; L108-V115 HydrophobicContact CB-CG2 4.32Å; L108-V115 HydrophobicContact CD1-CG2 4.41Å; L108-V133 HydrophobicContact CD1-CB 4.04Å; L108-V133 HydrophobicContact CD1-CG1 3.54Å; L108-V133 HydrophobicContact CD1-CG2 3.74Å; L108-R136 HydrophobicContact CD2-CB 4.29Å; L108-L137 HydrophobicContact CD2-CD2 3.62Å; L108-L137 HydrophobicContact CD2-CG 3.76Å; L108-L137 HydrophobicContact CG-CD2 3.93Å; L108-L137 HydrophobicContact CG-CG 4.15Å |
| 109 | R | 81.4 | Confident | 76.9 | Confident | 131 Ų | 131 | 53.5 Ų | 53.5 | 49% | 0.494 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 174.7 | -71.9 | -179.2 | -161.8 | 117.2 | -0.1 | 111.4 | L105 A106 E107 F111 G112 | L105-R109 WeakPolarHBondContact O-CG 3.42Å; L105-R109 PolarHBondContact O-N 3.44Å; L105-R109 VanDerWaalsContact O-N 3.07Å; A106-R109 PolarHBondContact O-N 3.27Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 2.9Å; R109-F111 VanDerWaalsContact C-N 3.27Å; R109-F111 PolarHBondContact O-N 3.47Å; R109-G112 PolarHBondContact O-N 3.44Å |
| 110 | A | 78.6 | Confident | 76.8 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.7 | -23.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R86 A106 E107 L108 G112 | R86-A110 PolarHBondContact NH2-O 2.85Å; A106-A110 PolarHBondContact O-N 3.15Å; E107-A110 CarbonylContact O-C 3.55Å; E107-A110 WeakPolarHBondContact O-CA 3.47Å; E107-A110 WeakPolarHBondContact O-CB 3.32Å; E107-A110 PolarHBondContact O-N 3.01Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 2.69Å; A110-G112 VanDerWaalsContact C-N 3.25Å |
| 111 | F | 73.3 | Confident | 76.5 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 0.7 | 166.4 | -68.3 | -66.5 | 0 | 0 | 0 | 113.7 | I81 A84 R86 E107 L108 R109 L137 E140 | I81-F111 HydrophobicContact CG2-CE2 4.49Å; A84-F111 HydrophobicContact CB-CE1 4Å; A84-F111 HydrophobicContact CB-CE2 4.41Å; A84-F111 HydrophobicContact CB-CZ 3.62Å; R86-F111 HydrophobicContact CB-CZ 4.26Å; R86-F111 HydrophobicContact CG-CE1 4.11Å; R86-F111 HydrophobicContact CG-CE2 4.42Å; R86-F111 HydrophobicContact CG-CZ 3.61Å; E107-F111 HydrophobicContact CB-CE2 4.48Å; E107-F111 WeakPolarHBondContact O-CD2 3.31Å; E107-F111 PolarHBondContact O-N 3.34Å; L108-F111 PolarHBondContact O-N 2.93Å; R109-F111 VanDerWaalsContact C-N 3.27Å; R109-F111 PolarHBondContact O-N 3.47Å; F111-L137 HydrophobicContact CD2-CD2 4.37Å; F111-L137 HydrophobicContact CE2-CD2 4.41Å; F111-E140 HydrophobicContact CB-CG 4.3Å; F111-E140 HydrophobicContact CG-CG 4.49Å |
| 112 | G | 68.4 | Low | 76.2 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 68% | 0.68 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 10 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L108 R109 A110 | L108-G112 PolarHBondContact O-N 2.88Å; R109-G112 PolarHBondContact O-N 3.44Å; A110-G112 VanDerWaalsContact C-N 3.25Å |
| 113 | V | 73.9 | Confident | 75.7 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | trans | -84.5 | 125.8 | 177.8 | -175 | 0 | 0 | 0 | 0 | 110.2 | L108 V115 F132 R136 | L108-V113 HydrophobicContact CD2-CB 4.4Å; L108-V113 HydrophobicContact CD2-CG2 4.33Å; L108-V113 PolarHBondContact O-N 2.86Å; V113-V115 PolarHBondContact O-N 3.39Å; V113-F132 HydrophobicContact CG1-CE1 4.25Å; V113-F132 HydrophobicContact CG1-CZ 4.36Å; V113-R136 HydrophobicContact CG1-CB 4.47Å; V113-R136 HydrophobicContact CG1-CG 4.16Å; V113-R136 HydrophobicContact CG2-CB 4.26Å | ||
| 114 | K | 67.4 | Low | 75.2 | Confident | 200 Ų | 200 | 60.7 Ų | 60.7 | 87% | 0.87 | 34% | 0.337 | S | S | * | . | trans | -76 | 114.1 | 173.8 | -70.4 | -175.4 | -179.1 | 179.6 | 0 | 110.1 | ||||
| 115 | V | 70.6 | Confident | 74.5 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | trans | -105.4 | 109.9 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | L105 L108 V113 F117 | L105-V115 HydrophobicContact CD1-CG1 4.48Å; L105-V115 HydrophobicContact CD2-CG1 3.74Å; L105-V115 HydrophobicContact CD2-CG2 4.24Å; L108-V115 HydrophobicContact CB-CG2 4.32Å; L108-V115 HydrophobicContact CD1-CG2 4.41Å; V113-V115 PolarHBondContact O-N 3.39Å; V115-F117 HydrophobicContact CG1-CD1 3.88Å; V115-F117 HydrophobicContact CG1-CD2 4.17Å; V115-F117 HydrophobicContact CG1-CE1 3.54Å; V115-F117 HydrophobicContact CG1-CE2 3.84Å; V115-F117 HydrophobicContact CG1-CG 4.19Å; V115-F117 HydrophobicContact CG1-CZ 3.52Å | ||
| 116 | D | 64.6 | Low | 74.1 | Confident | 163 Ų | 163 | 61.6 Ų | 61.6 | 87% | 0.872 | 34% | 0.343 | S | S | * | . | trans | -112.2 | 54.6 | 179.9 | -167 | 20.8 | 0 | 0 | 0 | 111.8 | ||||
| 117 | F | 77.5 | Confident | 73.8 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -153.1 | 151.5 | 172.7 | 54.5 | -95.8 | 0 | 0 | 0 | 111.8 | L105 V115 K121 L122 F129 F132 V133 | L105-F117 HydrophobicContact CD2-CE2 4.41Å; V115-F117 HydrophobicContact CG1-CD1 3.88Å; V115-F117 HydrophobicContact CG1-CD2 4.17Å; V115-F117 HydrophobicContact CG1-CE1 3.54Å; V115-F117 HydrophobicContact CG1-CE2 3.84Å; V115-F117 HydrophobicContact CG1-CG 4.19Å; V115-F117 HydrophobicContact CG1-CZ 3.52Å; F117-K121 HydrophobicContact CB-CD 4.45Å; F117-L122 HydrophobicContact CE2-CD1 3.83Å; F117-L122 HydrophobicContact CE2-CD2 4.04Å; F117-L122 HydrophobicContact CE2-CG 3.88Å; F117-F129 HydrophobicContact CB-CD1 4.32Å; F117-F129 HydrophobicContact CB-CE1 4.31Å; F117-F129 AromaticContact CD1-CD1 3.56Å; F117-F129 HydrophobicContact CD1-CD1 3.56Å; F117-F129 HydrophobicContact CD1-CE1 4.05Å; F117-F129 HydrophobicContact CD1-CG 4.42Å; F117-F129 HydrophobicContact CD2-CB 4.35Å; F117-F129 HydrophobicContact CD2-CD1 4.28Å; F117-F129 HydrophobicContact CD2-CG 4.4Å; F117-F129 HydrophobicContact CE1-CB 4.43Å; F117-F129 AromaticContact CE1-CD1 3.82Å; F117-F129 HydrophobicContact CE1-CD1 3.82Å; F117-F129 HydrophobicContact CE2-CB 4.04Å; F117-F129 AromaticContact CG-CD1 3.8Å; F117-F129 HydrophobicContact CG-CD1 3.8Å; F117-F129 HydrophobicContact CG-CE1 4.26Å; F117-F129 HydrophobicContact CG-CG 4.35Å; F117-F129 HydrophobicContact CZ-CB 4.07Å; F117-F129 HydrophobicContact CZ-CD1 4.29Å; F117-F132 HydrophobicContact CE1-CD1 4.33Å; F117-V133 HydrophobicContact CE2-CG2 4.43Å; F117-V133 HydrophobicContact CZ-CG2 3.8Å |
| 118 | P | 76.4 | Confident | 73.7 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | trans | -75 | 149.4 | -177.6 | 28.3 | -33.3 | 0 | 0 | 0 | 112.3 | S120 K121 | P118-S120 PolarHBondContact O-N 3.46Å; P118-K121 HydrophobicContact CG-CG 4.21Å; P118-K121 PolarHBondContact O-N 3.14Å; P118-K121 VanDerWaalsContact O-N 3.09Å | ||
| 119 | P | 75.4 | Confident | 73.6 | Confident | 42 Ų | 42 | 64 Ų | 64 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -54.4 | -25.5 | 177.7 | -27.2 | 34.5 | 0 | 0 | 0 | 114.6 | V101 L105 K121 L122 | V101-P119 HydrophobicContact CG1-CB 3.81Å; L105-P119 HydrophobicContact CD1-CB 4.47Å; L105-P119 HydrophobicContact CD1-CG 4.13Å; P119-K121 PolarHBondContact O-N 2.91Å; P119-L122 PolarHBondContact O-N 3.46Å |
| 120 | S | 76.3 | Confident | 73.6 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 57% | 0.566 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -60.6 | -25.8 | 178.5 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | P118 L122 | P118-S120 PolarHBondContact O-N 3.46Å; S120-L122 VanDerWaalsContact C-N 3.33Å |
| 121 | K | 74.3 | Confident | 73.7 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -77.7 | -13.9 | 179.3 | -69.2 | -166.8 | 179.6 | -173.7 | 0 | 114.1 | F117 P118 P119 S124 F129 | F117-K121 HydrophobicContact CB-CD 4.45Å; P118-K121 HydrophobicContact CG-CG 4.21Å; P118-K121 PolarHBondContact O-N 3.14Å; P118-K121 VanDerWaalsContact O-N 3.09Å; P119-K121 PolarHBondContact O-N 2.91Å; K121-S124 PolarHBondContact O-OG 3.04Å; K121-F129 HydrophobicContact CB-CD2 4.12Å; K121-F129 HydrophobicContact CD-CD2 3.97Å; K121-F129 HydrophobicContact CD-CE2 3.62Å; K121-F129 HydrophobicContact CD-CZ 4.11Å |
| 122 | L | 74.3 | Confident | 74 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -94.5 | -11.2 | 177.4 | -66.4 | 173.3 | 0 | 0 | 0 | 112.7 | F73 V101 L105 F117 P119 S120 S124 G125 F129 V130 V133 | F73-L122 HydrophobicContact CE1-CB 4.49Å; F73-L122 HydrophobicContact CZ-CD1 4.41Å; F73-L122 HydrophobicContact CZ-CD2 4.41Å; V101-L122 HydrophobicContact CG1-CB 3.9Å; V101-L122 HydrophobicContact CG1-CD1 3.54Å; V101-L122 HydrophobicContact CG1-CG 4.31Å; V101-L122 HydrophobicContact CG2-CB 4.32Å; L105-L122 HydrophobicContact CD1-CD1 4.17Å; L105-L122 HydrophobicContact CD2-CD1 3.89Å; L105-L122 HydrophobicContact CG-CD1 4.13Å; F117-L122 HydrophobicContact CE2-CD1 3.83Å; F117-L122 HydrophobicContact CE2-CD2 4.04Å; F117-L122 HydrophobicContact CE2-CG 3.88Å; P119-L122 PolarHBondContact O-N 3.46Å; S120-L122 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 2.85Å; L122-G125 PolarHBondContact O-N 2.99Å; L122-F129 HydrophobicContact CD2-CB 3.95Å; L122-V130 HydrophobicContact CD2-CB 4.35Å; L122-V130 HydrophobicContact CD2-CG2 3.69Å; L122-V133 HydrophobicContact CD1-CG2 4.29Å; L122-V133 HydrophobicContact CD2-CG2 4.23Å |
| 123 | K | 71.4 | Confident | 74.7 | Confident | 121 Ų | 121 | 53.3 Ų | 53.3 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.7 | -178.9 | -173.1 | 176 | 177.6 | -179.2 | 0 | 113.3 | G125 | K123-G125 PolarHBondContact O-N 2.95Š|
| 124 | S | 72.6 | Confident | 75.1 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.9 | 176.4 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | K121 L122 S126 | K121-S124 PolarHBondContact O-OG 3.04Å; L122-S124 PolarHBondContact O-N 2.85Å; S124-S126 PolarHBondContact O-N 3.24Å; S124-S126 PolarHBondContact O-OG 3.26Å; S124-S126 PolarHBondContact OG-O 3.46Å |
| 125 | G | 67.4 | Low | 75.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 66.5 | -4.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | F56 L122 K123 | F56-G125 WeakPolarHBondContact CD1-O 3.33Å; L122-G125 PolarHBondContact O-N 2.99Å; K123-G125 PolarHBondContact O-N 2.95Å |
| 126 | S | 71.7 | Confident | 76.4 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | trans | -144 | 145.7 | -178.8 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | F56 Q69 S124 | F56-S126 CarbonylContact O-C 3.59Å; F56-S126 WeakPolarHBondContact O-CA 2.98Å; Q69-S126 PolarHBondContact OE1-OG 2.92Å; S124-S126 PolarHBondContact O-N 3.24Å; S124-S126 PolarHBondContact O-OG 3.26Å; S124-S126 PolarHBondContact OG-O 3.46Å | ||
| 127 | G | 75.7 | Confident | 77.2 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 135.5 | 168.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F56 F129 V130 C131 | F56-G127 PolarHBondContact O-N 2.99Å; G127-F129 PolarHBondContact O-N 3.36Å; G127-V130 WeakPolarHBondContact O-CB 3.34Å; G127-V130 PolarHBondContact O-N 3.14Å; G127-V130 VanDerWaalsContact O-N 3.08Å; G127-C131 PolarHBondContact O-N 3.1Å |
| 128 | E | 76.4 | Confident | 77.4 | Confident | 71 Ų | 71 | 37.1 Ų | 37.1 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55 | -38.7 | -178.1 | -174.2 | 177.9 | -169.3 | 0 | 0 | 112.6 | R14 V130 C131 F132 | R14-E128 IonicContact CZ-OE2 2.66Å; R14-E128 IonicContact NH1-OE2 3.58Å; R14-E128 PolarHBondContact NH1-OE2 3.07Å; R14-E128 IonicContact NH2-OE2 3.31Å; E128-V130 PolarHBondContact O-N 3.38Å; E128-C131 PolarHBondContact O-N 3.3Å; E128-F132 WeakPolarHBondContact O-CB 3.32Å; E128-F132 PolarHBondContact O-N 3.36Å |
| 129 | F | 78.8 | Confident | 77.7 | Confident | 63 Ų | 63 | 36.4 Ų | 36.4 | 28% | 0.276 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.6 | -33.3 | 179.7 | -57 | -68.3 | 0 | 0 | 0 | 113.2 | F117 K121 L122 G127 V133 | F117-F129 HydrophobicContact CB-CD1 4.32Å; F117-F129 HydrophobicContact CB-CE1 4.31Å; F117-F129 AromaticContact CD1-CD1 3.56Å; F117-F129 HydrophobicContact CD1-CD1 3.56Å; F117-F129 HydrophobicContact CD1-CE1 4.05Å; F117-F129 HydrophobicContact CD1-CG 4.42Å; F117-F129 HydrophobicContact CD2-CB 4.35Å; F117-F129 HydrophobicContact CD2-CD1 4.28Å; F117-F129 HydrophobicContact CD2-CG 4.4Å; F117-F129 HydrophobicContact CE1-CB 4.43Å; F117-F129 AromaticContact CE1-CD1 3.82Å; F117-F129 HydrophobicContact CE1-CD1 3.82Å; F117-F129 HydrophobicContact CE2-CB 4.04Å; F117-F129 AromaticContact CG-CD1 3.8Å; F117-F129 HydrophobicContact CG-CD1 3.8Å; F117-F129 HydrophobicContact CG-CE1 4.26Å; F117-F129 HydrophobicContact CG-CG 4.35Å; F117-F129 HydrophobicContact CZ-CB 4.07Å; F117-F129 HydrophobicContact CZ-CD1 4.29Å; K121-F129 HydrophobicContact CB-CD2 4.12Å; K121-F129 HydrophobicContact CD-CD2 3.97Å; K121-F129 HydrophobicContact CD-CE2 3.62Å; K121-F129 HydrophobicContact CD-CZ 4.11Å; L122-F129 HydrophobicContact CD2-CB 3.95Å; G127-F129 PolarHBondContact O-N 3.36Å; F129-V133 VanDerWaalsContact O-CG2 3.31Å; F129-V133 WeakPolarHBondContact O-CG2 3.24Å; F129-V133 PolarHBondContact O-N 3.09Å; F129-V133 VanDerWaalsContact O-N 3.1Å |
| 130 | V | 79.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.1 | -47.8 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | F56 F73 L122 G127 E128 F132 V133 L134 | F56-V130 HydrophobicContact CD1-CG1 4.1Å; F73-V130 HydrophobicContact CB-CG1 4.23Å; F73-V130 HydrophobicContact CD2-CG1 3.41Å; F73-V130 VanDerWaalsContact CD2-CG1 3.41Å; F73-V130 HydrophobicContact CE2-CG1 3.87Å; F73-V130 HydrophobicContact CG-CG1 3.88Å; L122-V130 HydrophobicContact CD2-CB 4.35Å; L122-V130 HydrophobicContact CD2-CG2 3.69Å; G127-V130 WeakPolarHBondContact O-CB 3.34Å; G127-V130 PolarHBondContact O-N 3.14Å; G127-V130 VanDerWaalsContact O-N 3.08Å; E128-V130 PolarHBondContact O-N 3.38Å; V130-F132 VanDerWaalsContact C-N 3.34Å; V130-F132 PolarHBondContact O-N 2.99Å; V130-V133 PolarHBondContact O-N 3.03Å; V130-L134 HydrophobicContact CG1-CD1 4.46Å; V130-L134 WeakPolarHBondContact O-CG 3.38Å; V130-L134 PolarHBondContact O-N 3.45Å; V130-L134 VanDerWaalsContact O-N 3.11Å |
| 131 | C | 80.4 | Confident | 78 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | G127 E128 V133 L134 D135 | G127-C131 PolarHBondContact O-N 3.1Å; E128-C131 PolarHBondContact O-N 3.3Å; C131-V133 PolarHBondContact O-N 3.47Å; C131-L134 PolarHBondContact O-N 3.34Å; C131-D135 WeakPolarHBondContact O-CB 3.2Å; C131-D135 PolarHBondContact O-N 3.11Å |
| 132 | F | 81.4 | Confident | 78.1 | Confident | 59 Ų | 59 | 29.3 Ų | 29.3 | 26% | 0.259 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61.1 | -43 | 178.2 | 177.7 | -96.1 | 0 | 0 | 0 | 113 | V113 F117 E128 V130 D135 R136 | V113-F132 HydrophobicContact CG1-CE1 4.25Å; V113-F132 HydrophobicContact CG1-CZ 4.36Å; F117-F132 HydrophobicContact CE1-CD1 4.33Å; E128-F132 WeakPolarHBondContact O-CB 3.32Å; E128-F132 PolarHBondContact O-N 3.36Å; V130-F132 VanDerWaalsContact C-N 3.34Å; V130-F132 PolarHBondContact O-N 2.99Å; F132-D135 PolarHBondContact O-N 3.19Å; F132-R136 HydrophobicContact CE1-CG 4.19Å; F132-R136 HydrophobicContact CE2-CG 4.19Å; F132-R136 HydrophobicContact CZ-CG 4Å; F132-R136 WeakPolarHBondContact O-CG 3.27Å; F132-R136 PolarHBondContact O-N 3.16Å; F132-R136 VanDerWaalsContact O-N 3.12Å |
| 133 | V | 81.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -48.9 | 177.4 | 161.5 | 0 | 0 | 0 | 0 | 110.7 | F73 I104 L105 L108 F117 L122 F129 V130 C131 R136 L137 | F73-V133 HydrophobicContact CE2-CB 4.3Å; F73-V133 HydrophobicContact CE2-CG1 3.8Å; F73-V133 HydrophobicContact CZ-CG1 3.9Å; I104-V133 HydrophobicContact CG2-CG1 4.21Å; L105-V133 HydrophobicContact CD2-CG2 4.28Å; L108-V133 HydrophobicContact CD1-CB 4.04Å; L108-V133 HydrophobicContact CD1-CG1 3.54Å; L108-V133 HydrophobicContact CD1-CG2 3.74Å; F117-V133 HydrophobicContact CE2-CG2 4.43Å; F117-V133 HydrophobicContact CZ-CG2 3.8Å; L122-V133 HydrophobicContact CD1-CG2 4.29Å; L122-V133 HydrophobicContact CD2-CG2 4.23Å; F129-V133 VanDerWaalsContact O-CG2 3.31Å; F129-V133 WeakPolarHBondContact O-CG2 3.24Å; F129-V133 PolarHBondContact O-N 3.09Å; F129-V133 VanDerWaalsContact O-N 3.1Å; V130-V133 PolarHBondContact O-N 3.03Å; C131-V133 PolarHBondContact O-N 3.47Å; V133-R136 PolarHBondContact O-N 2.91Å; V133-L137 HydrophobicContact CG1-CD1 3.98Å; V133-L137 VanDerWaalsContact O-CG 3.32Å; V133-L137 WeakPolarHBondContact O-CG 3.32Å; V133-L137 PolarHBondContact O-N 3.06Å |
| 134 | L | 82.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 180 | -68.7 | -178.9 | 0 | 0 | 0 | 112.1 | L29 F56 F73 I76 A77 L80 V130 C131 L137 A138 | L29-L134 HydrophobicContact CD1-CB 3.81Å; L29-L134 HydrophobicContact CD2-CB 3.59Å; L29-L134 HydrophobicContact CD2-CD1 3.94Å; L29-L134 HydrophobicContact CD2-CG 4.44Å; L29-L134 HydrophobicContact CG-CB 4.37Å; F56-L134 HydrophobicContact CD2-CD1 4.23Å; F56-L134 HydrophobicContact CE2-CD1 4.12Å; F56-L134 HydrophobicContact CZ-CD1 4.35Å; F73-L134 HydrophobicContact CD2-CD1 3.97Å; F73-L134 HydrophobicContact CD2-CD2 3.78Å; F73-L134 HydrophobicContact CD2-CG 3.8Å; F73-L134 HydrophobicContact CE2-CD2 3.88Å; F73-L134 HydrophobicContact CE2-CG 3.92Å; I76-L134 HydrophobicContact CB-CD2 4.34Å; I76-L134 HydrophobicContact CG2-CD2 3.95Å; A77-L134 HydrophobicContact CB-CD2 4.06Å; L80-L134 HydrophobicContact CD1-CD2 4.2Å; V130-L134 HydrophobicContact CG1-CD1 4.46Å; V130-L134 WeakPolarHBondContact O-CG 3.38Å; V130-L134 PolarHBondContact O-N 3.45Å; V130-L134 VanDerWaalsContact O-N 3.11Å; C131-L134 PolarHBondContact O-N 3.34Å; L134-L137 PolarHBondContact O-N 3.28Å; L134-A138 VanDerWaalsContact O-CB 3.25Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 2.92Å |
| 135 | D | 83.6 | Confident | 78.3 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.6 | -178 | 50.3 | 0 | 0 | 0 | 111.8 | M25 K32 C131 F132 A138 E139 | M25-D135 HydrophobicContact CE-CB 4.38Å; M25-D135 WeakPolarHBondContact CE-OD2 3.27Å; K32-D135 WeakPolarHBondContact CD-OD1 3.35Å; K32-D135 IonicContact NZ-OD1 2.85Å; K32-D135 PolarHBondContact NZ-OD1 2.84Å; K32-D135 IonicContact NZ-OD2 2.65Å; C131-D135 WeakPolarHBondContact O-CB 3.2Å; C131-D135 PolarHBondContact O-N 3.11Å; F132-D135 PolarHBondContact O-N 3.19Å; D135-A138 PolarHBondContact O-N 3.21Å; D135-E139 WeakPolarHBondContact O-CG 3.45Å; D135-E139 PolarHBondContact O-N 3.17Å |
| 136 | R | 82.6 | Confident | 78 | Confident | 91 Ų | 91 | 40.4 Ų | 40.4 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67 | -39 | 176.4 | -65.9 | -59.6 | -176.9 | -169.3 | -3.5 | 113.1 | L108 V113 F132 V133 A138 E139 E140 | L108-R136 HydrophobicContact CD2-CB 4.29Å; V113-R136 HydrophobicContact CG1-CB 4.47Å; V113-R136 HydrophobicContact CG1-CG 4.16Å; V113-R136 HydrophobicContact CG2-CB 4.26Å; F132-R136 HydrophobicContact CE1-CG 4.19Å; F132-R136 HydrophobicContact CE2-CG 4.19Å; F132-R136 HydrophobicContact CZ-CG 4Å; F132-R136 WeakPolarHBondContact O-CG 3.27Å; F132-R136 PolarHBondContact O-N 3.16Å; F132-R136 VanDerWaalsContact O-N 3.12Å; V133-R136 PolarHBondContact O-N 2.91Å; R136-A138 VanDerWaalsContact C-N 3.33Å; R136-E139 IonicContact CZ-OE2 3.28Å; R136-E139 IonicContact NH1-OE1 3.33Å; R136-E139 IonicContact NH1-OE2 2.71Å; R136-E139 PolarHBondContact NH1-OE2 3.2Å; R136-E139 PolarHBondContact O-N 3.1Å; R136-E140 PolarHBondContact O-N 2.91Å; R136-E140 VanDerWaalsContact O-N 3.13Å |
| 137 | L | 80.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 173.8 | -72.4 | 174.6 | 0 | 0 | 0 | 111.5 | A77 L80 I81 I104 L108 F111 V133 L134 E140 A141 | A77-L137 HydrophobicContact CB-CD1 4.02Å; L80-L137 HydrophobicContact CB-CB 3.91Å; L80-L137 HydrophobicContact CD1-CB 3.84Å; I81-L137 HydrophobicContact CD1-CD1 4.46Å; I81-L137 HydrophobicContact CG1-CD1 4.24Å; I81-L137 HydrophobicContact CG1-CD2 3.79Å; I104-L137 HydrophobicContact CG2-CD1 4.33Å; L108-L137 HydrophobicContact CD2-CD2 3.62Å; L108-L137 HydrophobicContact CD2-CG 3.76Å; L108-L137 HydrophobicContact CG-CD2 3.93Å; L108-L137 HydrophobicContact CG-CG 4.15Å; F111-L137 HydrophobicContact CD2-CD2 4.37Å; F111-L137 HydrophobicContact CE2-CD2 4.41Å; V133-L137 HydrophobicContact CG1-CD1 3.98Å; V133-L137 VanDerWaalsContact O-CG 3.32Å; V133-L137 WeakPolarHBondContact O-CG 3.32Å; V133-L137 PolarHBondContact O-N 3.06Å; L134-L137 PolarHBondContact O-N 3.28Å; L137-E140 PolarHBondContact O-N 2.87Å; L137-A141 VanDerWaalsContact O-CB 3.27Å; L137-A141 WeakPolarHBondContact O-CB 3.32Å; L137-A141 PolarHBondContact O-N 3.21Å |
| 138 | A | 82.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L29 K32 L80 L134 D135 R136 A141 L142 | L29-A138 HydrophobicContact CD1-CB 4.08Å; K32-A138 HydrophobicContact CB-CB 4.12Å; L80-A138 HydrophobicContact CD1-CB 4.26Å; L80-A138 HydrophobicContact CD2-CB 4.31Å; L134-A138 VanDerWaalsContact O-CB 3.25Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 2.92Å; D135-A138 PolarHBondContact O-N 3.21Å; R136-A138 VanDerWaalsContact C-N 3.33Å; A138-A141 PolarHBondContact O-N 2.9Å; A138-L142 WeakPolarHBondContact O-CB 3.43Å; A138-L142 VanDerWaalsContact O-CG 3.25Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.14Å |
| 139 | E | 83 | Confident | 75.6 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 23% | 0.229 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 173.7 | -75.9 | 179.2 | 171.6 | 0 | 0 | 112.5 | K32 D135 R136 L142 K143 | K32-E139 HydrophobicContact CD-CG 4.44Å; K32-E139 IonicContact NZ-OE1 3.42Å; K32-E139 PolarHBondContact NZ-OE1 3.33Å; K32-E139 VanDerWaalsContact NZ-OE1 3.09Å; D135-E139 WeakPolarHBondContact O-CG 3.45Å; D135-E139 PolarHBondContact O-N 3.17Å; R136-E139 IonicContact CZ-OE2 3.28Å; R136-E139 IonicContact NH1-OE1 3.33Å; R136-E139 IonicContact NH1-OE2 2.71Å; R136-E139 PolarHBondContact NH1-OE2 3.2Å; R136-E139 PolarHBondContact O-N 3.1Å; E139-L142 PolarHBondContact O-N 2.9Å; E139-K143 WeakPolarHBondContact O-CG 3.23Å; E139-K143 PolarHBondContact O-N 3.12Å |
| 140 | E | 77.9 | Confident | 74.5 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 177.1 | -68.3 | -57.3 | 135.7 | 0 | 0 | 112.1 | F111 R136 L137 K143 N144 | F111-E140 HydrophobicContact CB-CG 4.3Å; F111-E140 HydrophobicContact CG-CG 4.49Å; R136-E140 PolarHBondContact O-N 2.91Å; R136-E140 VanDerWaalsContact O-N 3.13Å; L137-E140 PolarHBondContact O-N 2.87Å; E140-K143 PolarHBondContact O-N 3.43Å; E140-K143 IonicContact OE1-NZ 3.62Å; E140-K143 PolarHBondContact OE1-NZ 3.38Å; E140-N144 PolarHBondContact O-N 3.02Å |
| 141 | A | 78.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | L36 L80 V83 A84 L137 A138 N144 R145 | L36-A141 HydrophobicContact CD1-CB 3.94Å; L80-A141 HydrophobicContact CD2-CB 4.05Å; V83-A141 HydrophobicContact CB-CB 4.24Å; V83-A141 HydrophobicContact CG1-CB 3.93Å; A84-A141 HydrophobicContact CB-CB 4.47Å; L137-A141 VanDerWaalsContact O-CB 3.27Å; L137-A141 WeakPolarHBondContact O-CB 3.32Å; L137-A141 PolarHBondContact O-N 3.21Å; A138-A141 PolarHBondContact O-N 2.9Å; A141-N144 PolarHBondContact O-N 3.45Å; A141-R145 WeakPolarHBondContact O-CB 3.44Å; A141-R145 PolarHBondContact O-N 3.05Å |
| 142 | L | 77.4 | Confident | 71.8 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.1 | -77.9 | 167.6 | 0 | 0 | 0 | 112.3 | K32 L35 L36 A138 E139 N144 R145 G146 F147 | K32-L142 HydrophobicContact CB-CD1 3.86Å; K32-L142 HydrophobicContact CD-CD1 4.41Å; K32-L142 HydrophobicContact CG-CD1 3.75Å; L35-L142 HydrophobicContact CB-CD2 4.24Å; L36-L142 HydrophobicContact CD1-CD2 4.39Å; L36-L142 HydrophobicContact CD1-CG 4.12Å; L36-L142 HydrophobicContact CD2-CD2 3.6Å; L36-L142 HydrophobicContact CD2-CG 4Å; L36-L142 HydrophobicContact CG-CD2 3.73Å; L36-L142 HydrophobicContact CG-CG 4.01Å; A138-L142 WeakPolarHBondContact O-CB 3.43Å; A138-L142 VanDerWaalsContact O-CG 3.25Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.14Å; E139-L142 PolarHBondContact O-N 2.9Å; L142-N144 VanDerWaalsContact C-N 3.35Å; L142-R145 PolarHBondContact O-N 2.9Å; L142-G146 PolarHBondContact O-N 3.05Å; L142-G146 VanDerWaalsContact O-N 3.16Å; L142-F147 HydrophobicContact CB-CB 4.39Å; L142-F147 HydrophobicContact CD2-CB 3.78Å; L142-F147 HydrophobicContact CD2-CD1 4.19Å; L142-F147 HydrophobicContact CD2-CG 3.98Å; L142-F147 PolarHBondContact O-N 3.45Å |
| 143 | K | 78.3 | Confident | 70.1 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.8 | -45.1 | 173.6 | -75.2 | 173.9 | -169.7 | 170.5 | 0 | 111.4 | E139 E140 R145 G146 | E139-K143 WeakPolarHBondContact O-CG 3.23Å; E139-K143 PolarHBondContact O-N 3.12Å; E140-K143 PolarHBondContact O-N 3.43Å; E140-K143 IonicContact OE1-NZ 3.62Å; E140-K143 PolarHBondContact OE1-NZ 3.38Å; K143-R145 VanDerWaalsContact C-N 3.35Å; K143-G146 PolarHBondContact O-N 2.69Å; K143-G146 VanDerWaalsContact O-N 3.09Å |
| 144 | N | 74.4 | Confident | 68.7 | Low | 103 Ų | 103 | 89.3 Ų | 89.3 | 55% | 0.551 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.9 | -32.1 | -179.2 | -161.4 | 46.1 | 0 | 0 | 0 | 112.7 | V83 E140 A141 L142 G146 | V83-N144 PolarHBondContact O-ND2 3.35Å; E140-N144 PolarHBondContact O-N 3.02Å; A141-N144 PolarHBondContact O-N 3.45Å; L142-N144 VanDerWaalsContact C-N 3.35Å; N144-G146 PolarHBondContact O-N 3.13Å |
| 145 | R | 70.7 | Confident | 67.3 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 45% | 0.449 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -5.8 | 172.3 | -155.2 | 173.7 | -176.5 | 165.1 | 1.3 | 113 | L36 A141 L142 K143 F147 | L36-R145 VanDerWaalsContact CA-NH1 3.29Å; L36-R145 PolarHBondContact O-NH1 3.4Å; A141-R145 WeakPolarHBondContact O-CB 3.44Å; A141-R145 PolarHBondContact O-N 3.05Å; L142-R145 PolarHBondContact O-N 2.9Å; K143-R145 VanDerWaalsContact C-N 3.35Å; R145-F147 VanDerWaalsContact C-N 3.32Å; R145-F147 PolarHBondContact O-N 3.49Å |
| 146 | G | 60.3 | Low | 65.6 | Low | 52 Ų | 52 | 99.4 Ų | 99.4 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 26.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L142 K143 N144 T148 | L142-G146 PolarHBondContact O-N 3.05Å; L142-G146 VanDerWaalsContact O-N 3.16Å; K143-G146 PolarHBondContact O-N 2.69Å; K143-G146 VanDerWaalsContact O-N 3.09Å; N144-G146 PolarHBondContact O-N 3.13Å; G146-T148 PolarHBondContact O-N 3.34Å; G146-T148 VanDerWaalsContact O-N 3.16Å |
| 147 | F | 61.7 | Low | 63.9 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | trans | -68.7 | 116 | 179.4 | -174.7 | -96.5 | 0 | 0 | 0 | 109.8 | L35 L142 R145 F149 | L35-F147 HydrophobicContact CD1-CE1 3.86Å; L35-F147 HydrophobicContact CD1-CZ 3.83Å; L35-F147 HydrophobicContact CD2-CE2 3.94Å; L35-F147 HydrophobicContact CD2-CZ 3.77Å; L35-F147 HydrophobicContact CG-CZ 4.34Å; L142-F147 HydrophobicContact CB-CB 4.39Å; L142-F147 HydrophobicContact CD2-CB 3.78Å; L142-F147 HydrophobicContact CD2-CD1 4.19Å; L142-F147 HydrophobicContact CD2-CG 3.98Å; L142-F147 PolarHBondContact O-N 3.45Å; R145-F147 VanDerWaalsContact C-N 3.32Å; R145-F147 PolarHBondContact O-N 3.49Å; F147-F149 HydrophobicContact CE1-CD1 4.06Å; F147-F149 HydrophobicContact CE1-CD2 4.3Å; F147-F149 HydrophobicContact CE1-CE1 4.09Å; F147-F149 HydrophobicContact CE1-CE2 4.33Å; F147-F149 HydrophobicContact CE1-CG 4.17Å; F147-F149 HydrophobicContact CE1-CZ 4.22Å | ||
| 148 | T | 53.3 | Low | 61.9 | Low | 104 Ų | 104 | 110 Ų | 110 | 64% | 0.638 | 54% | 0.541 | S | S | * | . | trans | -112.2 | 133 | 169 | 43 | 0 | 0 | 0 | 0 | 107.2 | G146 R150 | G146-T148 PolarHBondContact O-N 3.34Å; G146-T148 VanDerWaalsContact O-N 3.16Å; T148-R150 PolarHBondContact O-N 3.46Å | ||
| 149 | F | 58.9 | Low | 60.1 | Low | 178 Ų | 178 | 116.5 Ų | 116.5 | 78% | 0.781 | 58% | 0.581 | S | S | * | * | trans | -58.6 | 102.6 | 169.8 | -76 | -83.1 | 0 | 0 | 0 | 107.9 | F147 | F147-F149 HydrophobicContact CE1-CD1 4.06Å; F147-F149 HydrophobicContact CE1-CD2 4.3Å; F147-F149 HydrophobicContact CE1-CE1 4.09Å; F147-F149 HydrophobicContact CE1-CE2 4.33Å; F147-F149 HydrophobicContact CE1-CG 4.17Å; F147-F149 HydrophobicContact CE1-CZ 4.22Å | ||
| 150 | R | 54.3 | Low | 58.2 | Low | 224 Ų | 224 | 122 Ų | 122 | 85% | 0.845 | 61% | 0.607 | S | S | * | * | trans | -66.2 | 137.2 | 170.5 | -73.6 | -173.5 | 176.3 | -175.5 | -0.7 | 107.2 | T148 | T148-R150 PolarHBondContact O-N 3.46Š| ||
| 151 | R | 51.1 | Low | 56.4 | Low | 231 Ų | 231 | 128.9 Ų | 128.9 | 87% | 0.872 | 64% | 0.639 | S | S | * | * | trans | -51.7 | 137 | 166.4 | -71.7 | -176.2 | 177.5 | -171.9 | -1.3 | 107.5 | N153 | R151-N153 PolarHBondContact O-N 3.33Š| ||
| 152 | P | 52.9 | Low | 54.4 | Low | 98 Ų | 98 | 137.1 Ų | 137.1 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -48 | 115.2 | 177.9 | -26.7 | 33.6 | 0 | 0 | 0 | 108.9 | Y154 | P152-Y154 HydrophobicContact CB-CE2 4.28Å; P152-Y154 WeakPolarHBondContact O-CD2 3.48Å; P152-Y154 PolarHBondContact O-N 3.1Å | ||
| 153 | N | 45.3 | Very low | 52.6 | Low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | trans | -78.8 | 91.6 | 170.8 | -161.5 | 27 | 0 | 0 | 0 | 104.5 | R151 P155 | R151-N153 PolarHBondContact O-N 3.33Å; N153-P155 WeakPolarHBondContact O-CD 3.29Å; N153-P155 VanDerWaalsContact O-N 3.16Å | ||
| 154 | Y | 53.1 | Low | 50.7 | Low | 186 Ų | 186 | 141.2 Ų | 141.2 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | trans | -51.7 | 123.5 | 165.2 | -63.5 | -84.8 | 0 | 0 | 0 | 105.5 | P152 S156 | P152-Y154 HydrophobicContact CB-CE2 4.28Å; P152-Y154 WeakPolarHBondContact O-CD2 3.48Å; P152-Y154 PolarHBondContact O-N 3.1Å; Y154-S156 PolarHBondContact O-N 3.4Å | ||
| 155 | P | 54.1 | Low | 49.1 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -54.1 | 114.3 | 169.7 | -2.5 | 9.9 | 0 | 0 | 0 | 105.1 | N153 E157 | N153-P155 WeakPolarHBondContact O-CD 3.29Å; N153-P155 VanDerWaalsContact O-N 3.16Å; P155-E157 VanDerWaalsContact C-N 3.28Å; P155-E157 PolarHBondContact O-N 3.27Å | ||
| 156 | S | 47.9 | Very low | 47.5 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -57.5 | 108.7 | 157.7 | 48.5 | 0 | 0 | 0 | 0 | 103.5 | Y154 N158 | Y154-S156 PolarHBondContact O-N 3.4Å; S156-N158 PolarHBondContact O-N 3.39Å | ||
| 157 | E | 46.2 | Very low | 46.4 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -41.4 | 121.5 | 159.1 | -78.5 | 177.3 | 146.3 | 0 | 0 | 106 | P155 T159 | P155-E157 VanDerWaalsContact C-N 3.28Å; P155-E157 PolarHBondContact O-N 3.27Å; E157-T159 VanDerWaalsContact C-N 3.32Å; E157-T159 PolarHBondContact O-N 3.4Å; E157-T159 PolarHBondContact O-OG1 2.86Å; E157-T159 VanDerWaalsContact O-OG1 3.04Å | ||
| 158 | N | 38.4 | Very low | 45.7 | Very low | 142 Ų | 142 | 155.2 Ų | 155.2 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -47.6 | 103.6 | 172.8 | -102.5 | 26.7 | 0 | 0 | 0 | 107.1 | S156 E160 | S156-N158 PolarHBondContact O-N 3.39Å; N158-E160 PolarHBondContact O-N 2.87Å | ||
| 159 | T | 43.9 | Very low | 45.5 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -85.1 | 39.4 | 175.6 | -14.6 | 0 | 0 | 0 | 0 | 109.3 | E157 | E157-T159 VanDerWaalsContact C-N 3.32Å; E157-T159 PolarHBondContact O-N 3.4Å; E157-T159 PolarHBondContact O-OG1 2.86Å; E157-T159 VanDerWaalsContact O-OG1 3.04Å | ||
| 160 | E | 42.6 | Very low | 45 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -155.1 | 84.7 | 178.1 | -62.7 | -177.7 | -177.7 | 0 | 0 | 102.7 | N158 | N158-E160 PolarHBondContact O-N 2.87Š| ||
| 161 | E | 40.7 | Very low | 44.5 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | S | Bend | -159.3 | 93.6 | 69.7 | -69.6 | 174.3 | 167.2 | 0 | 0 | 109.6 | |||
| 162 | E | 36.9 | Very low | 44.2 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -149.6 | 101.7 | 147 | -141.2 | 170.9 | -154 | 0 | 0 | 105.9 | V164 | E162-V164 HydrophobicContact CB-CG2 4.07Å; E162-V164 HydrophobicContact CG-CG2 4.22Å; E162-V164 PolarHBondContact O-N 3.34Å | ||
| 163 | S | 40.5 | Very low | 44 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -65.7 | 76.6 | 167.8 | 57.1 | 0 | 0 | 0 | 0 | 107.9 | M165 | S163-M165 PolarHBondContact O-N 3.42Š| ||
| 164 | V | 37.3 | Very low | 44.2 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | -77.3 | 106.8 | 166.5 | -163.7 | 0 | 0 | 0 | 0 | 104.8 | E162 D166 | E162-V164 HydrophobicContact CB-CG2 4.07Å; E162-V164 HydrophobicContact CG-CG2 4.22Å; E162-V164 PolarHBondContact O-N 3.34Å; V164-D166 PolarHBondContact O-N 2.99Å | ||
| 165 | M | 41.4 | Very low | 44.2 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | trans | -44.2 | 133.4 | 172.5 | -67.6 | 162.2 | 51.1 | 0 | 0 | 109.7 | S163 D167 | S163-M165 PolarHBondContact O-N 3.42Å; M165-D167 PolarHBondContact O-N 2.89Å | ||
| 166 | D | 37.9 | Very low | 44.1 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | trans | -41.5 | 110.9 | 166.8 | -84.9 | -35.6 | 0 | 0 | 0 | 110.1 | V164 | V164-D166 PolarHBondContact O-N 2.99Š| ||
| 167 | D | 36.4 | Very low | 44.1 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -103.5 | 87 | 158.3 | -150.7 | 11.8 | 0 | 0 | 0 | 106.1 | M165 A169 | M165-D167 PolarHBondContact O-N 2.89Å; D167-A169 PolarHBondContact O-N 3.38Å | ||
| 168 | D | 46.9 | Very low | 44.2 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -73.3 | 63.9 | -178.4 | -166 | 23.8 | 0 | 0 | 0 | 110.6 | ||||
| 169 | A | 48.5 | Very low | 44.5 | Very low | 67 Ų | 67 | 138.4 Ų | 138.4 | 55% | 0.554 | 73% | 0.732 | S | S | * | * | trans | -140.3 | 27.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D167 L171 | D167-A169 PolarHBondContact O-N 3.38Å; A169-L171 PolarHBondContact O-N 3.45Å | ||
| 170 | E | 47.8 | Very low | 44.8 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | trans | -87.5 | 80.4 | 160.5 | -75.3 | -159.2 | 165.3 | 0 | 0 | 110.5 | T172 | E170-T172 PolarHBondContact O-N 3.5Š| ||
| 171 | L | 45.4 | Very low | 45 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -60.1 | 96.1 | 164 | -84.5 | 151.3 | 0 | 0 | 0 | 109.6 | A169 L173 V176 | A169-L171 PolarHBondContact O-N 3.45Å; L171-L173 PolarHBondContact O-N 3.12Å; L171-V176 HydrophobicContact CD2-CG2 4.46Å | ||
| 172 | T | 43.9 | Very low | 45.2 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | trans | -55.8 | 120.9 | 165.8 | 40.3 | 0 | 0 | 0 | 0 | 110 | E170 S174 K175 | E170-T172 PolarHBondContact O-N 3.5Å; T172-S174 PolarHBondContact O-N 2.97Å; T172-K175 PolarHBondContact O-N 3.47Å | ||
| 173 | L | 48.3 | Very low | 45.4 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -48.8 | -22.5 | 178.5 | -89.4 | 148 | 0 | 0 | 0 | 114.8 | L171 | L171-L173 PolarHBondContact O-N 3.12Å |
| 174 | S | 50.4 | Low | 45.6 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -72.6 | -23.1 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 114.5 | T172 | T172-S174 PolarHBondContact O-N 2.97Å |
| 175 | K | 53 | Low | 46 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -79.4 | -30.4 | 174.9 | -101.5 | 170.3 | 174 | 174.6 | 0 | 112.7 | T172 E177 E178 E179 | T172-K175 PolarHBondContact O-N 3.47Å; K175-E177 VanDerWaalsContact C-N 3.31Å; K175-E177 PolarHBondContact O-N 2.96Å; K175-E178 PolarHBondContact O-N 3.41Å; K175-E179 PolarHBondContact O-N 2.91Å; K175-E179 VanDerWaalsContact O-N 3.11Å |
| 176 | V | 51.4 | Low | 46.1 | Very low | 65 Ų | 65 | 136.9 Ų | 136.9 | 39% | 0.394 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -70 | -29.8 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | L171 M180 | L171-V176 HydrophobicContact CD2-CG2 4.46Å; V176-M180 WeakPolarHBondContact O-CG 3.34Å; V176-M180 PolarHBondContact O-N 3.35Å |
| 177 | E | 47.6 | Very low | 46.5 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -81.5 | -25.2 | 178.9 | -150.3 | 171 | -156.3 | 0 | 0 | 112.6 | K175 | K175-E177 VanDerWaalsContact C-N 3.31Å; K175-E177 PolarHBondContact O-N 2.96Å |
| 178 | E | 48.1 | Very low | 46.8 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -83.2 | -34 | 176.5 | -158.5 | 162.4 | -157 | 0 | 0 | 111.7 | K175 I181 | K175-E178 PolarHBondContact O-N 3.41Å; E178-I181 PolarHBondContact O-N 3.38Å |
| 179 | E | 46.6 | Very low | 46.7 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -71.1 | -30.3 | 172.7 | -111.9 | 172.1 | 179.2 | 0 | 0 | 113.4 | K175 I181 E182 | K175-E179 PolarHBondContact O-N 2.91Å; K175-E179 VanDerWaalsContact O-N 3.11Å; E179-I181 PolarHBondContact O-N 2.7Å; E179-E182 PolarHBondContact O-N 2.87Å |
| 180 | M | 48.6 | Very low | 46.6 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -70.6 | -11.4 | 176.8 | -86.4 | -171.5 | 67 | 0 | 0 | 114.3 | V176 | V176-M180 WeakPolarHBondContact O-CG 3.34Å; V176-M180 PolarHBondContact O-N 3.35Å |
| 181 | I | 46.9 | Very low | 46.7 | Very low | 138 Ų | 138 | 141 Ų | 141 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -99.1 | -21.7 | 179.4 | -63.5 | 173.2 | 0 | 0 | 0 | 111.5 | E178 E179 | E178-I181 PolarHBondContact O-N 3.38Å; E179-I181 PolarHBondContact O-N 2.7Å |
| 182 | E | 45.5 | Very low | 46.9 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -91.6 | -11.2 | -179.4 | -76.9 | -169.8 | 154.2 | 0 | 0 | 114.8 | E179 | E179-E182 PolarHBondContact O-N 2.87Å |
| 183 | E | 41.4 | Very low | 47.4 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -106 | 54.3 | 173.9 | -67.3 | -150.2 | 169.6 | 0 | 0 | 113.5 | ||||
| 184 | A | 43.9 | Very low | 47.8 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -126.9 | 46.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 185 | D | 45.4 | Very low | 48.2 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -166.4 | 80.3 | 157.7 | -129.8 | 2.4 | 0 | 0 | 0 | 109.7 | ||
| 186 | D | 43.3 | Very low | 48.6 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | trans | -179.2 | 66 | 150.5 | -91.7 | -19.2 | 0 | 0 | 0 | 109 | E188 | D186-E188 VanDerWaalsContact C-N 3.27Å; D186-E188 PolarHBondContact O-N 3.36Å; D186-E188 VanDerWaalsContact O-N 3.07Å | ||
| 187 | E | 46.5 | Very low | 49 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 95% | 0.949 | 72% | 0.717 | S | S | * | * | trans | -73.1 | 83.7 | 159.1 | -74.8 | -175.6 | 161.8 | 0 | 0 | 108.7 | ||||
| 188 | E | 42.4 | Very low | 49.4 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -104.2 | 98 | 158.3 | -151.3 | 168.4 | -151.6 | 0 | 0 | 109.1 | D186 N190 | D186-E188 VanDerWaalsContact C-N 3.27Å; D186-E188 PolarHBondContact O-N 3.36Å; D186-E188 VanDerWaalsContact O-N 3.07Å; E188-N190 PolarHBondContact O-N 2.89Å; E188-N190 VanDerWaalsContact O-N 3.16Å | ||
| 189 | E | 45 | Very low | 49.8 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -29.8 | 109.3 | 168.9 | -71.2 | 175.9 | 131.7 | 0 | 0 | 113.8 | V191 | E189-V191 HydrophobicContact CB-CG2 4.29Å; E189-V191 HydrophobicContact CG-CG2 4.27Å | ||
| 190 | N | 47.5 | Very low | 50.3 | Low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | trans | -109.6 | 55.8 | 147.7 | -151.2 | 13.8 | 0 | 0 | 0 | 109.2 | E188 M192 | E188-N190 PolarHBondContact O-N 2.89Å; E188-N190 VanDerWaalsContact O-N 3.16Å; N190-M192 VanDerWaalsContact C-N 3.34Å; N190-M192 PolarHBondContact O-N 3.26Å; N190-M192 VanDerWaalsContact O-N 3.08Å | ||
| 191 | V | 49.2 | Very low | 50.4 | Low | 110 Ų | 110 | 140.6 Ų | 140.6 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | trans | -72 | 97.6 | 164.2 | -170.9 | 0 | 0 | 0 | 0 | 105.9 | E189 D193 | E189-V191 HydrophobicContact CB-CG2 4.29Å; E189-V191 HydrophobicContact CG-CG2 4.27Å; V191-D193 PolarHBondContact O-N 3.48Å | ||
| 192 | M | 50.2 | Low | 50.7 | Low | 157 Ų | 157 | 136.9 Ų | 136.9 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | -54.6 | 104.7 | 167.8 | -161 | -175 | -54.2 | 0 | 0 | 107.4 | N190 L194 | N190-M192 VanDerWaalsContact C-N 3.34Å; N190-M192 PolarHBondContact O-N 3.26Å; N190-M192 VanDerWaalsContact O-N 3.08Å; M192-L194 PolarHBondContact O-N 3.03Å | ||
| 193 | D | 54.1 | Low | 50.7 | Low | 90 Ų | 90 | 136 Ų | 136 | 48% | 0.481 | 70% | 0.698 | S | S | . | * | trans | -62.6 | 95.8 | -170.7 | -174.7 | 1.8 | 0 | 0 | 0 | 110.5 | V191 E195 A196 L197 | V191-D193 PolarHBondContact O-N 3.48Å; D193-E195 PolarHBondContact O-N 3.46Å; D193-E195 WeakPolarHBondContact OD1-CA 3.46Å; D193-E195 WeakPolarHBondContact OD1-CB 3.5Å; D193-E195 PolarHBondContact OD1-N 3.46Å; D193-A196 HydrophobicContact CB-CB 3.9Å; D193-A196 WeakPolarHBondContact O-CB 3.17Å; D193-A196 PolarHBondContact O-N 3.15Å; D193-A196 VanDerWaalsContact O-N 3.15Å; D193-A196 PolarHBondContact OD1-N 2.9Å; D193-A196 WeakPolarHBondContact OD2-CB 3.41Å; D193-L197 PolarHBondContact O-N 2.95Å | ||
| 194 | L | 57.6 | Low | 51 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 61% | 0.613 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64.8 | -16 | 178.2 | -165.5 | 65.4 | 0 | 0 | 0 | 111.2 | M192 K198 | M192-L194 PolarHBondContact O-N 3.03Å; L194-K198 WeakPolarHBondContact O-CG 3.42Å; L194-K198 PolarHBondContact O-N 3.45Å |
| 195 | E | 58.4 | Low | 51.2 | Low | 146 Ų | 146 | 135.5 Ų | 135.5 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -82.7 | -37 | 174.8 | -146.1 | 162.7 | -146.6 | 0 | 0 | 111.2 | D193 L197 K198 L199 | D193-E195 PolarHBondContact O-N 3.46Å; D193-E195 WeakPolarHBondContact OD1-CA 3.46Å; D193-E195 WeakPolarHBondContact OD1-CB 3.5Å; D193-E195 PolarHBondContact OD1-N 3.46Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.42Å; E195-K198 PolarHBondContact O-N 2.99Å; E195-K198 VanDerWaalsContact O-N 3.16Å; E195-L199 PolarHBondContact O-N 3.48Å |
| 196 | A | 60.5 | Low | 51.3 | Low | 52 Ų | 52 | 132.1 Ų | 132.1 | 43% | 0.43 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -62.1 | -36.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D193 R200 | D193-A196 HydrophobicContact CB-CB 3.9Å; D193-A196 WeakPolarHBondContact O-CB 3.17Å; D193-A196 PolarHBondContact O-N 3.15Å; D193-A196 VanDerWaalsContact O-N 3.15Å; D193-A196 PolarHBondContact OD1-N 2.9Å; D193-A196 WeakPolarHBondContact OD2-CB 3.41Å; A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 VanDerWaalsContact O-N 3.15Å |
| 197 | L | 59.4 | Low | 51.2 | Low | 95 Ų | 95 | 133 Ų | 133 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -71.2 | -32.6 | 173.9 | -70.6 | 175.7 | 0 | 0 | 0 | 112.5 | D193 E195 N201 | D193-L197 PolarHBondContact O-N 2.95Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.42Å; L197-N201 PolarHBondContact O-N 2.72Å |
| 198 | K | 57.2 | Low | 50.9 | Low | 141 Ų | 141 | 129 Ų | 129 | 61% | 0.613 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.8 | -36.9 | 173.9 | -76.1 | 174.9 | -178.6 | 174.6 | 0 | 112.2 | L194 E195 R200 N201 A202 | L194-K198 WeakPolarHBondContact O-CG 3.42Å; L194-K198 PolarHBondContact O-N 3.45Å; E195-K198 PolarHBondContact O-N 2.99Å; E195-K198 VanDerWaalsContact O-N 3.16Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 PolarHBondContact O-N 3.38Å; K198-N201 PolarHBondContact O-N 3.21Å; K198-A202 WeakPolarHBondContact O-CB 3.41Å; K198-A202 PolarHBondContact O-N 3.21Å |
| 199 | L | 56.2 | Low | 51.2 | Low | 109 Ų | 109 | 125.1 Ų | 125.1 | 57% | 0.571 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66 | -35.3 | 175.8 | -138.8 | 89.5 | 0 | 0 | 0 | 111.8 | E195 A202 H203 | E195-L199 PolarHBondContact O-N 3.48Å; L199-A202 PolarHBondContact O-N 3.22Å; L199-H203 WeakPolarHBondContact O-CB 3.44Å; L199-H203 PolarHBondContact O-N 3.31Å |
| 200 | R | 56.3 | Low | 51.2 | Low | 199 Ų | 199 | 122.4 Ų | 122.4 | 75% | 0.751 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.1 | -32.2 | 173.9 | -176.5 | 171 | 158 | 171 | -6.2 | 113 | A196 K198 | A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 VanDerWaalsContact O-N 3.15Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 PolarHBondContact O-N 3.38Å |
| 201 | N | 51.8 | Low | 51.2 | Low | 127 Ų | 127 | 121.6 Ų | 121.6 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.8 | -32.9 | 171.6 | -102.4 | 31.8 | 0 | 0 | 0 | 112.8 | L197 K198 A204 | L197-N201 PolarHBondContact O-N 2.72Å; K198-N201 PolarHBondContact O-N 3.21Å; N201-A204 PolarHBondContact O-N 2.98Å |
| 202 | A | 52.2 | Low | 51 | Low | 61 Ų | 61 | 122 Ų | 122 | 50% | 0.504 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -74.7 | -30.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K198 L199 A204 E205 | K198-A202 WeakPolarHBondContact O-CB 3.41Å; K198-A202 PolarHBondContact O-N 3.21Å; L199-A202 PolarHBondContact O-N 3.22Å; A202-A204 PolarHBondContact O-N 3.49Å; A202-E205 PolarHBondContact O-N 3.34Å |
| 203 | H | 46.8 | Very low | 50.8 | Low | 151 Ų | 151 | 120.2 Ų | 120.2 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -8.7 | 172.1 | -97.3 | -56 | 0 | 0 | 0 | 114.2 | L199 | L199-H203 WeakPolarHBondContact O-CB 3.44Å; L199-H203 PolarHBondContact O-N 3.31Å |
| 204 | A | 47.5 | Very low | 50.4 | Low | 83 Ų | 83 | 122.8 Ų | 122.8 | 69% | 0.686 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | N201 A202 | N201-A204 PolarHBondContact O-N 2.98Å; A202-A204 PolarHBondContact O-N 3.49Å |
| 205 | E | 48.4 | Very low | 50.3 | Low | 175 Ų | 175 | 124 Ų | 124 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -109.1 | 18.7 | -174.3 | -68 | -167.6 | 159.1 | 0 | 0 | 114.5 | A202 | A202-E205 PolarHBondContact O-N 3.34Š|
| 206 | A | 46.8 | Very low | 50.3 | Low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 69% | 0.69 | S | S | * | * | trans | -130.1 | 39.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 207 | E | 40.5 | Very low | 50 | Low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -123.1 | 121.7 | 158.9 | -84.5 | -93.2 | 145.3 | 0 | 0 | 108 | S209 | E207-S209 PolarHBondContact O-N 3.45Å; E207-S209 VanDerWaalsContact O-N 3.09Å |
| 208 | P | 40.3 | Very low | 49.7 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | -69.8 | 110.4 | -179 | 28.1 | -31.4 | 0 | 0 | 0 | 109.8 | S210 | P208-S210 PolarHBondContact O-N 3.01Š| ||
| 209 | S | 50.3 | Low | 49.7 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | 34.7 | 77.9 | 141 | 167.7 | 0 | 0 | 0 | 0 | 115.3 | E207 | E207-S209 PolarHBondContact O-N 3.45Å; E207-S209 VanDerWaalsContact O-N 3.09Å | ||
| 210 | S | 44.4 | Very low | 50 | Low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -106.5 | 99.8 | 142.6 | -173.1 | 0 | 0 | 0 | 0 | 106.5 | P208 P212 | P208-S210 PolarHBondContact O-N 3.01Å; S210-P212 WeakPolarHBondContact O-CD 3.24Å | ||
| 211 | K | 46.4 | Very low | 50.8 | Low | 143 Ų | 143 | 124 Ų | 124 | 62% | 0.622 | 71% | 0.709 | S | S | * | * | trans | -52.2 | 123.1 | 166.7 | -64.2 | 162.1 | 146.4 | -134.5 | 0 | 108.3 | D213 | K211-D213 HydrophobicContact CB-CB 4.16Å; K211-D213 WeakPolarHBondContact CD-OD2 3.32Å; K211-D213 IonicContact NZ-OD2 2.81Å; K211-D213 PolarHBondContact NZ-OD2 3.07Å; K211-D213 PolarHBondContact O-N 3.49Å | ||
| 212 | P | 46.6 | Very low | 52 | Low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -78.9 | 71.5 | 150.6 | 33.9 | -25.8 | 0 | 0 | 0 | 106.3 | S210 D214 | S210-P212 WeakPolarHBondContact O-CD 3.24Å; P212-D214 PolarHBondContact O-N 3.14Å | ||
| 213 | D | 45.6 | Very low | 53 | Low | 118 Ų | 118 | 121.3 Ų | 121.3 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | trans | -82.8 | 27.1 | 159 | -86.1 | -23.5 | 0 | 0 | 0 | 109.2 | K211 | K211-D213 HydrophobicContact CB-CB 4.16Å; K211-D213 WeakPolarHBondContact CD-OD2 3.32Å; K211-D213 IonicContact NZ-OD2 2.81Å; K211-D213 PolarHBondContact NZ-OD2 3.07Å; K211-D213 PolarHBondContact O-N 3.49Å | ||
| 214 | D | 46.3 | Very low | 54.4 | Low | 144 Ų | 144 | 119.9 Ų | 119.9 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -84.5 | 107.8 | 153.3 | -92.5 | -14.5 | 0 | 0 | 0 | 105.7 | P212 L216 | P212-D214 PolarHBondContact O-N 3.14Å; D214-L216 PolarHBondContact O-N 3.02Å |
| 215 | I | 55.2 | Low | 56 | Low | 142 Ų | 142 | 123.8 Ų | 123.8 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | trans | -40.4 | 117.7 | 161.8 | -67.4 | 156.1 | 0 | 0 | 0 | 106.5 | E217 | I215-E217 HydrophobicContact CG2-CG 4.05Å; I215-E217 PolarHBondContact O-N 3.48Å | ||
| 216 | L | 58.3 | Low | 57.5 | Low | 175 Ų | 175 | 123.9 Ų | 123.9 | 92% | 0.916 | 69% | 0.688 | S | S | * | * | trans | -62 | 83.4 | 167.7 | -73.8 | 163 | 0 | 0 | 0 | 106.6 | D214 S218 | D214-L216 PolarHBondContact O-N 3.02Å; L216-S218 PolarHBondContact O-N 3.16Å; L216-S218 VanDerWaalsContact O-N 3.08Å | ||
| 217 | E | 52.7 | Low | 59.1 | Low | 159 Ų | 159 | 125.5 Ų | 125.5 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -64.3 | 111.9 | 169.6 | -71.1 | -171.8 | 175.4 | 0 | 0 | 105.7 | I215 T219 | I215-E217 HydrophobicContact CG2-CG 4.05Å; I215-E217 PolarHBondContact O-N 3.48Å; E217-T219 PolarHBondContact O-N 3.09Å | ||
| 218 | S | 53.3 | Low | 61 | Low | 100 Ų | 100 | 120.4 Ų | 120.4 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | trans | -59.4 | 104.3 | 174.5 | 61.2 | 0 | 0 | 0 | 0 | 107.7 | L216 V220 | L216-S218 PolarHBondContact O-N 3.16Å; L216-S218 VanDerWaalsContact O-N 3.08Å; S218-V220 PolarHBondContact O-N 3.39Å; S218-V220 VanDerWaalsContact O-N 3.07Å | ||
| 219 | T | 57.9 | Low | 63 | Low | 147 Ų | 147 | 117.7 Ų | 117.7 | 90% | 0.902 | 64% | 0.642 | S | S | * | * | trans | -72.1 | 14.4 | 164.6 | 30 | 0 | 0 | 0 | 0 | 111.6 | E217 | E217-T219 PolarHBondContact O-N 3.09Š| ||
| 220 | V | 63.1 | Low | 64.5 | Low | 69 Ų | 69 | 118.5 Ų | 118.5 | 42% | 0.418 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -89.8 | 116.1 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | S218 A222 E224 W225 | S218-V220 PolarHBondContact O-N 3.39Å; S218-V220 VanDerWaalsContact O-N 3.07Å; V220-A222 PolarHBondContact O-N 3.38Å; V220-E224 HydrophobicContact CG1-CB 4.37Å; V220-W225 HydrophobicContact CG1-CB 4.02Å; V220-W225 HydrophobicContact CG1-CE3 4.36Å |
| 221 | D | 73.1 | Confident | 66.4 | Low | 94 Ų | 94 | 119.5 Ų | 119.5 | 50% | 0.503 | 62% | 0.621 | S | S | . | * | trans | -55.8 | 136.4 | 173.7 | 178.1 | 27.5 | 0 | 0 | 0 | 110 | A223 E224 W225 | D221-A223 PolarHBondContact O-N 2.94Å; D221-A223 VanDerWaalsContact O-N 3.08Å; D221-A223 WeakPolarHBondContact OD2-CB 3.42Å; D221-E224 HydrophobicContact CB-CB 4.29Å; D221-E224 HydrophobicContact CB-CG 4.11Å; D221-E224 PolarHBondContact O-N 2.78Å; D221-W225 PolarHBondContact O-N 2.98Å | ||
| 222 | A | 75.4 | Confident | 68 | Low | 78 Ų | 78 | 114.5 Ų | 114.5 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.5 | -26.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V220 R226 | V220-A222 PolarHBondContact O-N 3.38Å; A222-R226 WeakPolarHBondContact O-CB 3.33Å; A222-R226 PolarHBondContact O-N 2.85Å |
| 223 | A | 73.8 | Confident | 69.4 | Low | 52 Ų | 52 | 113.9 Ų | 113.9 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -75.2 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D221 R226 L227 | D221-A223 PolarHBondContact O-N 2.94Å; D221-A223 VanDerWaalsContact O-N 3.08Å; D221-A223 WeakPolarHBondContact OD2-CB 3.42Å; A223-R226 WeakPolarHBondContact O-CB 3.42Å; A223-R226 PolarHBondContact O-N 2.73Å; A223-L227 WeakPolarHBondContact O-CG 3.25Å; A223-L227 PolarHBondContact O-N 3.09Å |
| 224 | E | 76.9 | Confident | 70.8 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.6 | -40.2 | 175.4 | -69.6 | -175.4 | 164.6 | 0 | 0 | 111.6 | V220 D221 R226 L227 E228 | V220-E224 HydrophobicContact CG1-CB 4.37Å; D221-E224 HydrophobicContact CB-CB 4.29Å; D221-E224 HydrophobicContact CB-CG 4.11Å; D221-E224 PolarHBondContact O-N 2.78Å; E224-R226 VanDerWaalsContact C-N 3.3Å; E224-R226 PolarHBondContact O-N 3.16Å; E224-L227 PolarHBondContact O-N 3.37Å; E224-E228 WeakPolarHBondContact O-CB 3.18Å; E224-E228 PolarHBondContact O-N 2.8Å |
| 225 | W | 80.1 | Confident | 71.8 | Confident | 164 Ų | 164 | 112.4 Ų | 112.4 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.2 | -39.6 | 172.8 | -174.4 | -109.7 | 0 | 0 | 0 | 111.9 | V220 D221 E228 V229 | V220-W225 HydrophobicContact CG1-CB 4.02Å; V220-W225 HydrophobicContact CG1-CE3 4.36Å; D221-W225 PolarHBondContact O-N 2.98Å; W225-E228 PolarHBondContact O-N 3.12Å; W225-V229 HydrophobicContact CD2-CG2 4.48Å; W225-V229 WeakPolarHBondContact O-CB 3.45Å; W225-V229 VanDerWaalsContact O-CG2 3.26Å; W225-V229 WeakPolarHBondContact O-CG2 3.25Å; W225-V229 PolarHBondContact O-N 2.85Å |
| 226 | R | 80.3 | Confident | 72.5 | Confident | 177 Ų | 177 | 111.8 Ų | 111.8 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -41.5 | 178.1 | -133.8 | 175 | 164.6 | 166.7 | -3.7 | 112 | A222 A223 E224 E228 V229 E230 | A222-R226 WeakPolarHBondContact O-CB 3.33Å; A222-R226 PolarHBondContact O-N 2.85Å; A223-R226 WeakPolarHBondContact O-CB 3.42Å; A223-R226 PolarHBondContact O-N 2.73Å; E224-R226 VanDerWaalsContact C-N 3.3Å; E224-R226 PolarHBondContact O-N 3.16Å; R226-E228 VanDerWaalsContact C-N 3.3Å; R226-V229 PolarHBondContact O-N 3.37Å; R226-E230 WeakPolarHBondContact O-CB 3.25Å; R226-E230 WeakPolarHBondContact O-CG 3.48Å; R226-E230 PolarHBondContact O-N 3.11Å |
| 227 | L | 81.4 | Confident | 72.6 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.7 | -38.7 | 174.5 | -75.2 | 170.2 | 0 | 0 | 0 | 111.3 | A223 E224 E230 R231 | A223-L227 WeakPolarHBondContact O-CG 3.25Å; A223-L227 PolarHBondContact O-N 3.09Å; E224-L227 PolarHBondContact O-N 3.37Å; L227-E230 PolarHBondContact O-N 2.9Å; L227-R231 VanDerWaalsContact O-CB 3.23Å; L227-R231 WeakPolarHBondContact O-CB 3.49Å; L227-R231 PolarHBondContact O-N 3.26Å |
| 228 | E | 80.3 | Confident | 73.2 | Confident | 73 Ų | 73 | 108.9 Ų | 108.9 | 34% | 0.341 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.1 | -40.2 | 176.5 | -171.6 | 61 | -166.3 | 0 | 0 | 111.9 | E224 W225 R226 R231 V232 | E224-E228 WeakPolarHBondContact O-CB 3.18Å; E224-E228 PolarHBondContact O-N 2.8Å; W225-E228 PolarHBondContact O-N 3.12Å; R226-E228 VanDerWaalsContact C-N 3.3Å; E228-R231 VanDerWaalsContact CD-NE 3.34Å; E228-R231 WeakPolarHBondContact O-CB 3.44Å; E228-R231 PolarHBondContact O-N 3.49Å; E228-R231 IonicContact OE1-CZ 3.85Å; E228-R231 VanDerWaalsContact OE1-CZ 3.31Å; E228-R231 IonicContact OE1-NE 3.61Å; E228-R231 PolarHBondContact OE1-NE 2.96Å; E228-R231 IonicContact OE1-NH2 3.28Å; E228-R231 PolarHBondContact OE1-NH2 3.5Å; E228-R231 IonicContact OE2-CZ 2.78Å; E228-R231 IonicContact OE2-NE 2.67Å; E228-R231 PolarHBondContact OE2-NE 3.23Å; E228-R231 IonicContact OE2-NH2 2.75Å; E228-V232 WeakPolarHBondContact O-CB 3.4Å; E228-V232 VanDerWaalsContact O-CG2 3.23Å; E228-V232 WeakPolarHBondContact O-CG2 3.4Å; E228-V232 PolarHBondContact O-N 3.49Å |
| 229 | V | 82.1 | Confident | 73.4 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 37% | 0.37 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -43.5 | 171.8 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | W225 R226 R231 V232 L233 | W225-V229 HydrophobicContact CD2-CG2 4.48Å; W225-V229 WeakPolarHBondContact O-CB 3.45Å; W225-V229 VanDerWaalsContact O-CG2 3.26Å; W225-V229 WeakPolarHBondContact O-CG2 3.25Å; W225-V229 PolarHBondContact O-N 2.85Å; R226-V229 PolarHBondContact O-N 3.37Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 3.44Å; V229-V232 PolarHBondContact O-N 3.28Å; V229-L233 HydrophobicContact CG1-CD1 3.96Å; V229-L233 WeakPolarHBondContact O-CA 3.47Å; V229-L233 VanDerWaalsContact O-CB 3.27Å; V229-L233 WeakPolarHBondContact O-CB 3.48Å; V229-L233 PolarHBondContact O-N 2.79Å |
| 230 | E | 80.7 | Confident | 73.6 | Confident | 122 Ų | 122 | 107.8 Ų | 107.8 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.1 | -31.3 | 175.6 | -75.4 | -179.3 | -178.6 | 0 | 0 | 112.5 | R226 L227 P234 | R226-E230 WeakPolarHBondContact O-CB 3.25Å; R226-E230 WeakPolarHBondContact O-CG 3.48Å; R226-E230 PolarHBondContact O-N 3.11Å; L227-E230 PolarHBondContact O-N 2.9Å; E230-P234 VanDerWaalsContact O-CD 3.23Å; E230-P234 WeakPolarHBondContact O-CD 3.39Å |
| 231 | R | 84 | Confident | 73.4 | Confident | 135 Ų | 135 | 114.7 Ų | 114.7 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.1 | -37.7 | 174.6 | -169.6 | -174.7 | 76.9 | 78.2 | -3.1 | 112.4 | L227 E228 V229 P234 | L227-R231 VanDerWaalsContact O-CB 3.23Å; L227-R231 WeakPolarHBondContact O-CB 3.49Å; L227-R231 PolarHBondContact O-N 3.26Å; E228-R231 VanDerWaalsContact CD-NE 3.34Å; E228-R231 WeakPolarHBondContact O-CB 3.44Å; E228-R231 PolarHBondContact O-N 3.49Å; E228-R231 IonicContact OE1-CZ 3.85Å; E228-R231 VanDerWaalsContact OE1-CZ 3.31Å; E228-R231 IonicContact OE1-NE 3.61Å; E228-R231 PolarHBondContact OE1-NE 2.96Å; E228-R231 IonicContact OE1-NH2 3.28Å; E228-R231 PolarHBondContact OE1-NH2 3.5Å; E228-R231 IonicContact OE2-CZ 2.78Å; E228-R231 IonicContact OE2-NE 2.67Å; E228-R231 PolarHBondContact OE2-NE 3.23Å; E228-R231 IonicContact OE2-NH2 2.75Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 3.44Å; R231-P234 WeakPolarHBondContact O-CD 3.48Å |
| 232 | V | 81.1 | Confident | 72.7 | Confident | 38 Ų | 38 | 115.9 Ų | 115.9 | 23% | 0.23 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -92 | -20.1 | -176.6 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | E228 V229 P234 Q235 L236 | E228-V232 WeakPolarHBondContact O-CB 3.4Å; E228-V232 VanDerWaalsContact O-CG2 3.23Å; E228-V232 WeakPolarHBondContact O-CG2 3.4Å; E228-V232 PolarHBondContact O-N 3.49Å; V229-V232 PolarHBondContact O-N 3.28Å; V232-P234 VanDerWaalsContact C-CD 3.44Å; V232-Q235 CarbonylContact O-C 3.58Å; V232-Q235 WeakPolarHBondContact O-CA 3.29Å; V232-Q235 WeakPolarHBondContact O-CB 3.46Å; V232-Q235 PolarHBondContact O-N 3.08Å; V232-L236 HydrophobicContact CG1-CD1 3.75Å; V232-L236 HydrophobicContact CG1-CG 3.92Å; V232-L236 PolarHBondContact O-N 2.79Å |
| 233 | L | 75.2 | Confident | 71.9 | Confident | 106 Ų | 106 | 116.5 Ų | 116.5 | 56% | 0.555 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -50.9 | -44.5 | 176.2 | -142.3 | 98.4 | 0 | 0 | 0 | 113.6 | V229 Q235 L236 K237 | V229-L233 HydrophobicContact CG1-CD1 3.96Å; V229-L233 WeakPolarHBondContact O-CA 3.47Å; V229-L233 VanDerWaalsContact O-CB 3.27Å; V229-L233 WeakPolarHBondContact O-CB 3.48Å; V229-L233 PolarHBondContact O-N 2.79Å; L233-Q235 VanDerWaalsContact C-N 3.27Å; L233-Q235 PolarHBondContact O-N 2.89Å; L233-L236 PolarHBondContact O-N 2.94Å; L233-K237 WeakPolarHBondContact O-CB 3.35Å; L233-K237 PolarHBondContact O-N 3.23Å |
| 234 | P | 74.6 | Confident | 71.3 | Confident | 90 Ų | 90 | 121.4 Ų | 121.4 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.4 | -27.1 | 177.5 | -18.5 | 32.7 | 0 | 0 | 0 | 112.7 | E230 R231 V232 | E230-P234 VanDerWaalsContact O-CD 3.23Å; E230-P234 WeakPolarHBondContact O-CD 3.39Å; R231-P234 WeakPolarHBondContact O-CD 3.48Å; V232-P234 VanDerWaalsContact C-CD 3.44Å |
| 235 | Q | 68.1 | Low | 70.7 | Confident | 141 Ų | 141 | 123.9 Ų | 123.9 | 66% | 0.659 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.5 | -29.1 | 177.3 | -57.7 | -175 | -4.4 | 0 | 0 | 111.9 | V232 L233 | V232-Q235 CarbonylContact O-C 3.58Å; V232-Q235 WeakPolarHBondContact O-CA 3.29Å; V232-Q235 WeakPolarHBondContact O-CB 3.46Å; V232-Q235 PolarHBondContact O-N 3.08Å; L233-Q235 VanDerWaalsContact C-N 3.27Å; L233-Q235 PolarHBondContact O-N 2.89Å |
| 236 | L | 69.1 | Low | 70.6 | Confident | 129 Ų | 129 | 117.6 Ų | 117.6 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -84.7 | -15.6 | 173.4 | -73.6 | 167.1 | 0 | 0 | 0 | 113.3 | V232 L233 V238 | V232-L236 HydrophobicContact CG1-CD1 3.75Å; V232-L236 HydrophobicContact CG1-CG 3.92Å; V232-L236 PolarHBondContact O-N 2.79Å; L233-L236 PolarHBondContact O-N 2.94Å; L236-V238 PolarHBondContact O-N 3.4Å |
| 237 | K | 62.2 | Low | 70.7 | Confident | 155 Ų | 155 | 116.4 Ų | 116.4 | 67% | 0.674 | 57% | 0.571 | S | S | * | * | trans | -72.6 | 80.5 | 171.7 | -166 | 174.2 | -175.9 | 178.2 | 0 | 108.3 | L233 T239 | L233-K237 WeakPolarHBondContact O-CB 3.35Å; L233-K237 PolarHBondContact O-N 3.23Å; K237-T239 PolarHBondContact O-N 3.37Å; K237-T239 PolarHBondContact O-OG1 3Å | ||
| 238 | V | 63.3 | Low | 70.8 | Confident | 118 Ų | 118 | 117.4 Ų | 117.4 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | trans | -59 | 90.7 | 169.5 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | L236 I240 | L236-V238 PolarHBondContact O-N 3.4Å; V238-I240 HydrophobicContact CG1-CG1 3.91Å; V238-I240 PolarHBondContact O-N 3.4Å | ||
| 239 | T | 59.5 | Low | 71 | Confident | 105 Ų | 105 | 116.4 Ų | 116.4 | 64% | 0.644 | 56% | 0.563 | S | S | * | * | trans | -75.8 | 91.4 | 167.3 | 17.2 | 0 | 0 | 0 | 0 | 104.4 | K237 R241 | K237-T239 PolarHBondContact O-N 3.37Å; K237-T239 PolarHBondContact O-OG1 3Å; T239-R241 PolarHBondContact O-N 2.89Å | ||
| 240 | I | 60.8 | Low | 71.1 | Confident | 119 Ų | 119 | 118 Ų | 118 | 61% | 0.61 | 57% | 0.566 | S | S | * | * | trans | -60 | 92.8 | 168 | -56.2 | 172.1 | 0 | 0 | 0 | 105 | V238 T242 | V238-I240 HydrophobicContact CG1-CG1 3.91Å; V238-I240 PolarHBondContact O-N 3.4Å; I240-T242 PolarHBondContact O-N 3.3Å | ||
| 241 | R | 59.1 | Low | 71.5 | Confident | 214 Ų | 214 | 115.4 Ų | 115.4 | 81% | 0.808 | 56% | 0.556 | S | S | * | * | trans | -64.4 | 121.3 | 166.2 | -68.4 | -171.7 | 176.4 | -160.2 | -0.4 | 104.2 | T239 D243 | T239-R241 PolarHBondContact O-N 2.89Å; R241-D243 PolarHBondContact O-N 2.8Å | ||
| 242 | T | 58.2 | Low | 71.7 | Confident | 119 Ų | 119 | 113.8 Ų | 113.8 | 73% | 0.73 | 56% | 0.557 | S | S | * | * | trans | -65.3 | 78.9 | 172.8 | 50.2 | 0 | 0 | 0 | 0 | 107.7 | I240 | I240-T242 PolarHBondContact O-N 3.3Š| ||
| 243 | D | 59.3 | Low | 72.1 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | trans | -81.4 | 138.6 | 174.7 | -164.1 | -8.7 | 0 | 0 | 0 | 107.5 | R241 K245 D246 | R241-D243 PolarHBondContact O-N 2.8Å; D243-K245 PolarHBondContact O-N 3.02Å; D243-D246 VanDerWaalsContact O-CB 3.28Å; D243-D246 WeakPolarHBondContact O-CB 3.39Å; D243-D246 PolarHBondContact O-N 2.92Å | ||
| 244 | H | 61 | Low | 72.9 | Confident | 154 Ų | 154 | 117 Ų | 117 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -4.7 | 177.6 | -76 | -86.5 | 0 | 0 | 0 | 112.9 | H250 | H244-H250 PolarHBondContact O-NE2 3.06Š|
| 245 | K | 64.7 | Low | 73.9 | Confident | 175 Ų | 175 | 116.4 Ų | 116.4 | 76% | 0.761 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 2.5 | 170.6 | -64.2 | 178.8 | 178.5 | -177.6 | 0 | 113.6 | D243 W247 | D243-K245 PolarHBondContact O-N 3.02Å; K245-W247 PolarHBondContact O-N 3.15Å |
| 246 | D | 76.8 | Confident | 75.2 | Confident | 31 Ų | 31 | 116.2 Ų | 116.2 | 17% | 0.166 | 56% | 0.557 | C | S | . | * | trans | -72.1 | 115.5 | 174.8 | -165.4 | -9 | 0 | 0 | 0 | 109.2 | D243 R248 I249 | D243-D246 VanDerWaalsContact O-CB 3.28Å; D243-D246 WeakPolarHBondContact O-CB 3.39Å; D243-D246 PolarHBondContact O-N 2.92Å; D246-R248 PolarHBondContact O-N 3.41Å; D246-R248 WeakPolarHBondContact OD1-CG 3.34Å; D246-R248 PolarHBondContact OD1-N 3.26Å; D246-I249 HydrophobicContact CB-CD1 4.45Å; D246-I249 HydrophobicContact CB-CG1 4.47Å; D246-I249 PolarHBondContact O-N 3.4Å | ||
| 247 | W | 83.8 | Confident | 76.4 | Confident | 153 Ų | 153 | 116.2 Ų | 116.2 | 58% | 0.58 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -54.4 | -22 | 177.9 | 65 | -90.6 | 0 | 0 | 0 | 112.6 | K245 H250 L251 | K245-W247 PolarHBondContact O-N 3.15Å; W247-H250 PolarHBondContact O-N 3.16Å; W247-L251 HydrophobicContact CE3-CB 4.5Å; W247-L251 HydrophobicContact CE3-CD2 4.36Å; W247-L251 HydrophobicContact CZ3-CD2 3.84Å; W247-L251 WeakPolarHBondContact O-CB 3.18Å; W247-L251 PolarHBondContact O-N 2.88Å |
| 248 | R | 82.6 | Confident | 78.1 | Confident | 135 Ų | 135 | 115.6 Ų | 115.6 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 173.7 | -68.8 | 176.7 | 147.9 | 84.3 | 2.5 | 112.8 | D246 L251 D252 | D246-R248 PolarHBondContact O-N 3.41Å; D246-R248 WeakPolarHBondContact OD1-CG 3.34Å; D246-R248 PolarHBondContact OD1-N 3.26Å; R248-L251 PolarHBondContact O-N 3.01Å; R248-D252 PolarHBondContact O-N 2.94Å |
| 249 | I | 84.9 | Confident | 79.6 | Confident | 52 Ų | 52 | 113.6 Ų | 113.6 | 27% | 0.267 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 177.7 | -61.6 | 174.4 | 0 | 0 | 0 | 109.5 | D246 D252 Q253 | D246-I249 HydrophobicContact CB-CD1 4.45Å; D246-I249 HydrophobicContact CB-CG1 4.47Å; D246-I249 PolarHBondContact O-N 3.4Å; I249-D252 PolarHBondContact O-N 3.3Å; I249-Q253 WeakPolarHBondContact O-CB 3.27Å; I249-Q253 VanDerWaalsContact O-CG 3.24Å; I249-Q253 WeakPolarHBondContact O-CG 3.23Å; I249-Q253 PolarHBondContact O-N 3.03Å |
| 250 | H | 83.8 | Confident | 81.3 | Confident | 96 Ų | 96 | 110.5 Ų | 110.5 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 174.7 | -64.8 | -46.9 | 0 | 0 | 0 | 112.7 | H244 W247 Q253 M254 | H244-H250 PolarHBondContact O-NE2 3.06Å; W247-H250 PolarHBondContact O-N 3.16Å; H250-Q253 PolarHBondContact ND1-OE1 2.67Å; H250-Q253 PolarHBondContact O-N 3.43Å; H250-M254 WeakPolarHBondContact O-CB 3.34Å; H250-M254 PolarHBondContact O-N 2.89Å |
| 251 | L | 89.8 | Confident | 83 | Confident | 67 Ų | 67 | 110.1 Ų | 110.1 | 35% | 0.351 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 175.4 | -178.8 | 61.7 | 0 | 0 | 0 | 111.7 | W247 R248 M254 H255 | W247-L251 HydrophobicContact CE3-CB 4.5Å; W247-L251 HydrophobicContact CE3-CD2 4.36Å; W247-L251 HydrophobicContact CZ3-CD2 3.84Å; W247-L251 WeakPolarHBondContact O-CB 3.18Å; W247-L251 PolarHBondContact O-N 2.88Å; R248-L251 PolarHBondContact O-N 3.01Å; L251-M254 WeakPolarHBondContact O-CB 3.21Å; L251-M254 PolarHBondContact O-N 3.4Å; L251-H255 PolarHBondContact O-CD2 3.31Å; L251-H255 VanDerWaalsContact O-CD2 3.24Å; L251-H255 PolarHBondContact O-N 3.04Å |
| 252 | D | 87.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 174.8 | -80.8 | -12.4 | 0 | 0 | 0 | 111.5 | R248 I249 H255 Q256 | R248-D252 PolarHBondContact O-N 2.94Å; I249-D252 PolarHBondContact O-N 3.3Å; D252-H255 PolarHBondContact O-N 3.48Å; D252-Q256 VanDerWaalsContact O-CG 3.31Å; D252-Q256 WeakPolarHBondContact O-CG 3.43Å; D252-Q256 PolarHBondContact O-N 2.9Å |
| 253 | Q | 90.1 | Very high | 86.6 | Confident | 79 Ų | 79 | 105 Ų | 105 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 171.7 | -74.4 | 170.7 | -16.2 | 0 | 0 | 111.6 | I249 H250 H255 Q256 H257 | I249-Q253 WeakPolarHBondContact O-CB 3.27Å; I249-Q253 VanDerWaalsContact O-CG 3.24Å; I249-Q253 WeakPolarHBondContact O-CG 3.23Å; I249-Q253 PolarHBondContact O-N 3.03Å; H250-Q253 PolarHBondContact ND1-OE1 2.67Å; H250-Q253 PolarHBondContact O-N 3.43Å; Q253-H255 VanDerWaalsContact C-N 3.32Å; Q253-H255 PolarHBondContact O-N 3.33Å; Q253-Q256 PolarHBondContact O-N 3.44Å; Q253-H257 PolarHBondContact O-CD2 3.38Å; Q253-H257 PolarHBondContact O-N 2.75Å |
| 254 | M | 92.4 | Very high | 88.3 | Confident | 133 Ų | 133 | 103.5 Ų | 103.5 | 66% | 0.655 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | 176.4 | -122.3 | 176.1 | 74.5 | 0 | 0 | 111.7 | H250 L251 R258 | H250-M254 WeakPolarHBondContact O-CB 3.34Å; H250-M254 PolarHBondContact O-N 2.89Å; L251-M254 WeakPolarHBondContact O-CB 3.21Å; L251-M254 PolarHBondContact O-N 3.4Å; M254-R258 VanDerWaalsContact O-CB 3.25Å; M254-R258 WeakPolarHBondContact O-CB 3.45Å; M254-R258 PolarHBondContact O-N 3.12Å |
| 255 | H | 95.4 | Very high | 90 | Very high | 77 Ų | 77 | 101.5 Ų | 101.5 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 174.6 | -76.2 | -50.9 | 0 | 0 | 0 | 112.1 | L251 D252 Q253 R258 D259 | L251-H255 PolarHBondContact O-CD2 3.31Å; L251-H255 VanDerWaalsContact O-CD2 3.24Å; L251-H255 PolarHBondContact O-N 3.04Å; D252-H255 PolarHBondContact O-N 3.48Å; Q253-H255 VanDerWaalsContact C-N 3.32Å; Q253-H255 PolarHBondContact O-N 3.33Å; H255-R258 PolarHBondContact O-N 3.27Å; H255-D259 WeakPolarHBondContact O-CB 3.24Å; H255-D259 PolarHBondContact O-N 3.43Å |
| 256 | Q | 95.1 | Very high | 91.5 | Very high | 137 Ų | 137 | 100.6 Ų | 100.6 | 64% | 0.64 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.2 | -46.5 | 175.2 | -71.3 | 172.7 | 20.7 | 0 | 0 | 112 | D252 Q253 D259 G260 | D252-Q256 VanDerWaalsContact O-CG 3.31Å; D252-Q256 WeakPolarHBondContact O-CG 3.43Å; D252-Q256 PolarHBondContact O-N 2.9Å; Q253-Q256 PolarHBondContact O-N 3.44Å; Q256-D259 PolarHBondContact O-N 3.5Å; Q256-G260 PolarHBondContact O-N 3.07Å |
| 257 | H | 94.8 | Very high | 92.4 | Very high | 130 Ų | 130 | 102.7 Ų | 102.7 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 175.9 | -69 | -50.9 | 0 | 0 | 0 | 111.8 | Q253 D259 G260 I261 | Q253-H257 PolarHBondContact O-CD2 3.38Å; Q253-H257 PolarHBondContact O-N 2.75Å; H257-D259 VanDerWaalsContact C-N 3.34Å; H257-D259 PolarHBondContact O-N 3.04Å; H257-G260 PolarHBondContact O-N 3.31Å; H257-I261 WeakPolarHBondContact O-CB 3.43Å; H257-I261 VanDerWaalsContact O-CG1 3.23Å; H257-I261 WeakPolarHBondContact O-CG1 3.32Å; H257-I261 PolarHBondContact O-N 3.4Å |
| 258 | R | 96.1 | Very high | 93 | Very high | 142 Ų | 142 | 99.2 Ų | 99.2 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 176.9 | -170.7 | -166.2 | 76.9 | 179 | 0.8 | 111.6 | M254 H255 I261 K262 | M254-R258 VanDerWaalsContact O-CB 3.25Å; M254-R258 WeakPolarHBondContact O-CB 3.45Å; M254-R258 PolarHBondContact O-N 3.12Å; H255-R258 PolarHBondContact O-N 3.27Å; R258-I261 PolarHBondContact O-N 2.97Å; R258-K262 WeakPolarHBondContact O-CB 3.29Å; R258-K262 PolarHBondContact O-N 3.28Å |
| 259 | D | 96.2 | Very high | 93.7 | Very high | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.3 | -33.5 | -179.2 | -68.1 | -10.6 | 0 | 0 | 0 | 111.3 | H255 Q256 H257 K262 T263 | H255-D259 WeakPolarHBondContact O-CB 3.24Å; H255-D259 PolarHBondContact O-N 3.43Å; Q256-D259 PolarHBondContact O-N 3.5Å; H257-D259 VanDerWaalsContact C-N 3.34Å; H257-D259 PolarHBondContact O-N 3.04Å; D259-K262 PolarHBondContact O-N 3.2Å; D259-T263 WeakPolarHBondContact O-CB 3.46Å; D259-T263 PolarHBondContact O-N 2.94Å; D259-T263 PolarHBondContact O-OG1 3.23Å |
| 260 | G | 95.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 98.6 Ų | 98.6 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q256 H257 K262 T263 S264 | Q256-G260 PolarHBondContact O-N 3.07Å; H257-G260 PolarHBondContact O-N 3.31Å; G260-K262 VanDerWaalsContact C-N 3.31Å; G260-K262 PolarHBondContact O-N 3.19Å; G260-T263 PolarHBondContact O-N 2.92Å; G260-S264 PolarHBondContact O-N 3.22Å; G260-S264 PolarHBondContact O-OG 2.88Å |
| 261 | I | 95.7 | Very high | 94.8 | Very high | 111 Ų | 111 | 101.2 Ų | 101.2 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 175.6 | -69.2 | 164.9 | 0 | 0 | 0 | 110.7 | H257 R258 T263 S264 L265 | H257-I261 WeakPolarHBondContact O-CB 3.43Å; H257-I261 VanDerWaalsContact O-CG1 3.23Å; H257-I261 WeakPolarHBondContact O-CG1 3.32Å; H257-I261 PolarHBondContact O-N 3.4Å; R258-I261 PolarHBondContact O-N 2.97Å; I261-T263 VanDerWaalsContact C-N 3.3Å; I261-T263 PolarHBondContact O-N 3.49Å; I261-S264 WeakPolarHBondContact CA-OG 3.47Å; I261-S264 PolarHBondContact O-N 3.38Å; I261-S264 PolarHBondContact O-OG 3.5Å; I261-S264 VanDerWaalsContact O-OG 3.05Å; I261-L265 WeakPolarHBondContact O-CB 3.23Å; I261-L265 PolarHBondContact O-N 3.44Å |
| 262 | K | 97 | Very high | 95.1 | Very high | 144 Ų | 144 | 103.3 Ų | 103.3 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -36.1 | 179.5 | -169.2 | 175.6 | -177.8 | 180 | 0 | 112.1 | R258 D259 G260 K266 | R258-K262 WeakPolarHBondContact O-CB 3.29Å; R258-K262 PolarHBondContact O-N 3.28Å; D259-K262 PolarHBondContact O-N 3.2Å; G260-K262 VanDerWaalsContact C-N 3.31Å; G260-K262 PolarHBondContact O-N 3.19Å; K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 2.98Å; K262-K266 VanDerWaalsContact O-N 3.12Å |
| 263 | T | 96.6 | Very high | 95.6 | Very high | 81 Ų | 81 | 102.1 Ų | 102.1 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.6 | -48.8 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | D259 G260 I261 L265 K266 D267 | D259-T263 WeakPolarHBondContact O-CB 3.46Å; D259-T263 PolarHBondContact O-N 2.94Å; D259-T263 PolarHBondContact O-OG1 3.23Å; G260-T263 PolarHBondContact O-N 2.92Å; I261-T263 VanDerWaalsContact C-N 3.3Å; I261-T263 PolarHBondContact O-N 3.49Å; T263-L265 VanDerWaalsContact C-N 3.31Å; T263-L265 PolarHBondContact O-N 2.94Å; T263-K266 WeakPolarHBondContact O-CB 3.5Å; T263-K266 PolarHBondContact O-N 3.36Å; T263-K266 VanDerWaalsContact O-N 3.11Å; T263-D267 PolarHBondContact O-N 2.96Å |
| 264 | S | 94.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 104.1 Ų | 104.1 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.3 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | G260 I261 K266 D267 T268 | G260-S264 PolarHBondContact O-N 3.22Å; G260-S264 PolarHBondContact O-OG 2.88Å; I261-S264 WeakPolarHBondContact CA-OG 3.47Å; I261-S264 PolarHBondContact O-N 3.38Å; I261-S264 PolarHBondContact O-OG 3.5Å; I261-S264 VanDerWaalsContact O-OG 3.05Å; S264-K266 VanDerWaalsContact C-N 3.33Å; S264-K266 PolarHBondContact O-N 3.47Å; S264-D267 PolarHBondContact O-N 3.49Å; S264-T268 WeakPolarHBondContact O-CB 3.38Å; S264-T268 VanDerWaalsContact O-CG2 3.3Å; S264-T268 WeakPolarHBondContact O-CG2 3.22Å; S264-T268 PolarHBondContact O-N 2.83Å; S264-T268 PolarHBondContact O-OG1 3.19Å |
| 265 | L | 95.9 | Very high | 96.1 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 173.6 | -177.3 | 63.9 | 0 | 0 | 0 | 111.9 | I261 T263 T268 K269 | I261-L265 WeakPolarHBondContact O-CB 3.23Å; I261-L265 PolarHBondContact O-N 3.44Å; T263-L265 VanDerWaalsContact C-N 3.31Å; T263-L265 PolarHBondContact O-N 2.94Å; L265-T268 VanDerWaalsContact CA-OG1 3.29Å; L265-T268 WeakPolarHBondContact CA-OG1 3.34Å; L265-T268 PolarHBondContact O-OG1 3.25Å; L265-T268 VanDerWaalsContact O-OG1 3.06Å; L265-K269 WeakPolarHBondContact O-CB 3.23Å; L265-K269 PolarHBondContact O-N 3.41Å |
| 266 | K | 96.9 | Very high | 96.2 | Very high | 156 Ų | 156 | 105 Ų | 105 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 176.7 | -175.9 | -174.2 | 175.8 | -170.6 | 0 | 111.1 | K262 T263 S264 S270 | K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 2.98Å; K262-K266 VanDerWaalsContact O-N 3.12Å; T263-K266 WeakPolarHBondContact O-CB 3.5Å; T263-K266 PolarHBondContact O-N 3.36Å; T263-K266 VanDerWaalsContact O-N 3.11Å; S264-K266 VanDerWaalsContact C-N 3.33Å; S264-K266 PolarHBondContact O-N 3.47Å; K266-S270 PolarHBondContact O-N 3.12Å |
| 267 | D | 95.4 | Very high | 96.4 | Very high | 75 Ų | 75 | 103.8 Ų | 103.8 | 40% | 0.401 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -48.3 | -178.5 | -67.2 | -16.9 | 0 | 0 | 0 | 111 | T263 S264 K269 S270 Y271 | T263-D267 PolarHBondContact O-N 2.96Å; S264-D267 PolarHBondContact O-N 3.49Å; D267-K269 PolarHBondContact O-N 3.29Å; D267-S270 WeakPolarHBondContact O-CB 3.26Å; D267-S270 PolarHBondContact O-N 3.17Å; D267-S270 VanDerWaalsContact O-N 3.07Å; D267-S270 PolarHBondContact O-OG 2.91Å; D267-Y271 HydrophobicContact CB-CE2 4.26Å; D267-Y271 WeakPolarHBondContact O-CD2 3.33Å; D267-Y271 PolarHBondContact O-N 3.3Å |
| 268 | T | 95.6 | Very high | 96.5 | Very high | 81 Ų | 81 | 101.9 Ų | 101.9 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 175.3 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | S264 L265 S270 Y271 L272 | S264-T268 WeakPolarHBondContact O-CB 3.38Å; S264-T268 VanDerWaalsContact O-CG2 3.3Å; S264-T268 WeakPolarHBondContact O-CG2 3.22Å; S264-T268 PolarHBondContact O-N 2.83Å; S264-T268 PolarHBondContact O-OG1 3.19Å; L265-T268 VanDerWaalsContact CA-OG1 3.29Å; L265-T268 WeakPolarHBondContact CA-OG1 3.34Å; L265-T268 PolarHBondContact O-OG1 3.25Å; L265-T268 VanDerWaalsContact O-OG1 3.06Å; T268-S270 VanDerWaalsContact C-N 3.31Å; T268-S270 PolarHBondContact O-N 3.46Å; T268-Y271 PolarHBondContact O-N 2.72Å; T268-L272 WeakPolarHBondContact O-CB 3.38Å; T268-L272 PolarHBondContact O-N 3.27Å |
| 269 | K | 97.1 | Very high | 96.5 | Very high | 129 Ų | 129 | 99.7 Ų | 99.7 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.5 | -42.6 | 173.6 | -176.1 | 174.9 | 179.9 | 176.9 | 0 | 111.6 | L265 D267 Y271 L272 D273 | L265-K269 WeakPolarHBondContact O-CB 3.23Å; L265-K269 PolarHBondContact O-N 3.41Å; D267-K269 PolarHBondContact O-N 3.29Å; K269-Y271 VanDerWaalsContact C-N 3.33Å; K269-Y271 PolarHBondContact O-N 2.79Å; K269-L272 PolarHBondContact O-N 2.81Å; K269-D273 WeakPolarHBondContact O-CB 3.41Å; K269-D273 VanDerWaalsContact O-CG 3.27Å; K269-D273 PolarHBondContact O-N 3.47Å |
| 270 | S | 96.8 | Very high | 96.6 | Very high | 44 Ų | 44 | 97.5 Ų | 97.5 | 31% | 0.308 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 178 | 84 | 0 | 0 | 0 | 0 | 113 | K266 D267 T268 K274 | K266-S270 PolarHBondContact O-N 3.12Å; D267-S270 WeakPolarHBondContact O-CB 3.26Å; D267-S270 PolarHBondContact O-N 3.17Å; D267-S270 VanDerWaalsContact O-N 3.07Å; D267-S270 PolarHBondContact O-OG 2.91Å; T268-S270 VanDerWaalsContact C-N 3.31Å; T268-S270 PolarHBondContact O-N 3.46Å; S270-K274 VanDerWaalsContact O-CG 3.3Å; S270-K274 WeakPolarHBondContact O-CG 3.26Å; S270-K274 PolarHBondContact O-N 3.1Å; S270-K274 VanDerWaalsContact O-N 3.13Å |
| 271 | Y | 95.6 | Very high | 96.7 | Very high | 152 Ų | 152 | 99.8 Ų | 99.8 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -40.2 | 174 | -66.4 | -53 | 0 | 0 | 0 | 111.4 | D267 T268 K269 K274 L275 | D267-Y271 HydrophobicContact CB-CE2 4.26Å; D267-Y271 WeakPolarHBondContact O-CD2 3.33Å; D267-Y271 PolarHBondContact O-N 3.3Å; T268-Y271 PolarHBondContact O-N 2.72Å; K269-Y271 VanDerWaalsContact C-N 3.33Å; K269-Y271 PolarHBondContact O-N 2.79Å; Y271-K274 PolarHBondContact O-N 2.84Å; Y271-L275 WeakPolarHBondContact O-CB 3.44Å; Y271-L275 PolarHBondContact O-N 3.5Å |
| 272 | L | 96.7 | Very high | 96.7 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 176.9 | -173 | 63.9 | 0 | 0 | 0 | 111.9 | T268 K269 K274 L275 Q276 | T268-L272 WeakPolarHBondContact O-CB 3.38Å; T268-L272 PolarHBondContact O-N 3.27Å; K269-L272 PolarHBondContact O-N 2.81Å; L272-K274 VanDerWaalsContact C-N 3.33Å; L272-K274 PolarHBondContact O-N 3.34Å; L272-L275 PolarHBondContact O-N 3.44Å; L272-Q276 WeakPolarHBondContact O-CB 3.47Å; L272-Q276 PolarHBondContact O-N 3.41Å |
| 273 | D | 97.3 | Very high | 96.8 | Very high | 76 Ų | 76 | 97 Ų | 97 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 177 | -71.3 | -22.8 | 0 | 0 | 0 | 111 | K269 Q276 E277 | K269-D273 WeakPolarHBondContact O-CB 3.41Å; K269-D273 VanDerWaalsContact O-CG 3.27Å; K269-D273 PolarHBondContact O-N 3.47Å; D273-Q276 PolarHBondContact O-N 2.82Å; D273-E277 PolarHBondContact O-N 3.05Å |
| 274 | K | 97.1 | Very high | 96.8 | Very high | 120 Ų | 120 | 99.8 Ų | 99.8 | 52% | 0.522 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 174 | -74.3 | 171.5 | -176.6 | 172.1 | 0 | 111.9 | S270 Y271 L272 Q276 E277 D278 | S270-K274 VanDerWaalsContact O-CG 3.3Å; S270-K274 WeakPolarHBondContact O-CG 3.26Å; S270-K274 PolarHBondContact O-N 3.1Å; S270-K274 VanDerWaalsContact O-N 3.13Å; Y271-K274 PolarHBondContact O-N 2.84Å; L272-K274 VanDerWaalsContact C-N 3.33Å; L272-K274 PolarHBondContact O-N 3.34Å; K274-Q276 VanDerWaalsContact C-N 3.3Å; K274-Q276 PolarHBondContact O-N 3.14Å; K274-E277 PolarHBondContact O-N 2.88Å; K274-D278 WeakPolarHBondContact O-CB 3.48Å; K274-D278 PolarHBondContact O-N 3.09Å |
| 275 | L | 97.1 | Very high | 96.9 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 177.7 | -177.9 | 64.4 | 0 | 0 | 0 | 111 | Y271 L272 D278 I279 | Y271-L275 WeakPolarHBondContact O-CB 3.44Å; Y271-L275 PolarHBondContact O-N 3.5Å; L272-L275 PolarHBondContact O-N 3.44Å; L275-D278 PolarHBondContact O-N 2.81Å; L275-I279 HydrophobicContact CD1-CD1 4.07Å; L275-I279 HydrophobicContact CD1-CG1 4.29Å; L275-I279 HydrophobicContact CD2-CD1 4.46Å; L275-I279 HydrophobicContact CG-CD1 3.83Å; L275-I279 HydrophobicContact CG-CG1 4.43Å; L275-I279 WeakPolarHBondContact O-CB 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.46Å; L275-I279 PolarHBondContact O-N 3.26Å |
| 276 | Q | 97.2 | Very high | 97 | Very high | 134 Ų | 134 | 100.2 Ų | 100.2 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 175.3 | -178.1 | -177.3 | -2.2 | 0 | 0 | 111.4 | L272 D273 K274 I279 G280 | L272-Q276 WeakPolarHBondContact O-CB 3.47Å; L272-Q276 PolarHBondContact O-N 3.41Å; D273-Q276 PolarHBondContact O-N 2.82Å; K274-Q276 VanDerWaalsContact C-N 3.3Å; K274-Q276 PolarHBondContact O-N 3.14Å; Q276-I279 PolarHBondContact O-N 2.94Å; Q276-G280 PolarHBondContact O-N 3.36Å |
| 277 | E | 97.8 | Very high | 97 | Very high | 111 Ų | 111 | 95 Ų | 95 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 177.7 | -166.4 | -171.9 | 158.7 | 0 | 0 | 111.6 | D273 K274 G280 K281 | D273-E277 PolarHBondContact O-N 3.05Å; K274-E277 PolarHBondContact O-N 2.88Å; E277-G280 PolarHBondContact O-N 3.17Å; E277-K281 VanDerWaalsContact CD-NZ 3.34Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-N 3.34Å; E277-K281 WeakPolarHBondContact OE1-CE 3.26Å; E277-K281 IonicContact OE1-NZ 2.76Å; E277-K281 PolarHBondContact OE1-NZ 2.99Å |
| 278 | D | 97.5 | Very high | 97.1 | Very high | 90 Ų | 90 | 94.5 Ų | 94.5 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -44 | 178.1 | -75.5 | -18.1 | 0 | 0 | 0 | 111.6 | K274 L275 G280 K281 T282 | K274-D278 WeakPolarHBondContact O-CB 3.48Å; K274-D278 PolarHBondContact O-N 3.09Å; L275-D278 PolarHBondContact O-N 2.81Å; D278-G280 VanDerWaalsContact C-N 3.33Å; D278-G280 PolarHBondContact O-N 3.36Å; D278-K281 PolarHBondContact O-N 2.95Å; D278-T282 WeakPolarHBondContact O-CG2 3.48Å; D278-T282 PolarHBondContact O-N 3.14Å; D278-T282 PolarHBondContact O-OG1 2.79Å |
| 279 | I | 97.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 98.1 Ų | 98.1 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 172.9 | -70 | 170 | 0 | 0 | 0 | 109.9 | L275 Q276 K281 T282 L283 | L275-I279 HydrophobicContact CD1-CD1 4.07Å; L275-I279 HydrophobicContact CD1-CG1 4.29Å; L275-I279 HydrophobicContact CD2-CD1 4.46Å; L275-I279 HydrophobicContact CG-CD1 3.83Å; L275-I279 HydrophobicContact CG-CG1 4.43Å; L275-I279 WeakPolarHBondContact O-CB 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.46Å; L275-I279 PolarHBondContact O-N 3.26Å; Q276-I279 PolarHBondContact O-N 2.94Å; I279-K281 PolarHBondContact O-N 3.42Å; I279-T282 WeakPolarHBondContact CA-OG1 3.46Å; I279-T282 PolarHBondContact O-N 3.06Å; I279-T282 VanDerWaalsContact O-N 3.12Å; I279-T282 PolarHBondContact O-OG1 3.37Å; I279-L283 WeakPolarHBondContact O-CB 3.25Å; I279-L283 PolarHBondContact O-N 3.36Å |
| 280 | G | 98.1 | Very high | 97.1 | Very high | 30 Ų | 30 | 97 Ų | 97 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.3 | -49.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q276 E277 D278 T282 L283 E284 | Q276-G280 PolarHBondContact O-N 3.36Å; E277-G280 PolarHBondContact O-N 3.17Å; D278-G280 VanDerWaalsContact C-N 3.33Å; D278-G280 PolarHBondContact O-N 3.36Å; G280-T282 VanDerWaalsContact C-N 3.33Å; G280-T282 PolarHBondContact O-N 2.81Å; G280-L283 PolarHBondContact O-N 3.2Å; G280-E284 WeakPolarHBondContact O-CG 3.24Å; G280-E284 PolarHBondContact O-N 3.1Å |
| 281 | K | 97.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 101.3 Ų | 101.3 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.8 | -72 | 168.4 | -175.2 | 160 | 0 | 112.4 | E277 D278 I279 K285 | E277-K281 VanDerWaalsContact CD-NZ 3.34Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-N 3.34Å; E277-K281 WeakPolarHBondContact OE1-CE 3.26Å; E277-K281 IonicContact OE1-NZ 2.76Å; E277-K281 PolarHBondContact OE1-NZ 2.99Å; D278-K281 PolarHBondContact O-N 2.95Å; I279-K281 PolarHBondContact O-N 3.42Å; K281-K285 WeakPolarHBondContact O-CB 3.39Å; K281-K285 VanDerWaalsContact O-CG 3.25Å; K281-K285 WeakPolarHBondContact O-CG 3.49Å; K281-K285 PolarHBondContact O-N 3.43Å |
| 282 | T | 96.4 | Very high | 97.2 | Very high | 77 Ų | 77 | 101.3 Ų | 101.3 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 177 | 62 | 0 | 0 | 0 | 0 | 111.7 | D278 I279 G280 K285 V286 | D278-T282 WeakPolarHBondContact O-CG2 3.48Å; D278-T282 PolarHBondContact O-N 3.14Å; D278-T282 PolarHBondContact O-OG1 2.79Å; I279-T282 WeakPolarHBondContact CA-OG1 3.46Å; I279-T282 PolarHBondContact O-N 3.06Å; I279-T282 VanDerWaalsContact O-N 3.12Å; I279-T282 PolarHBondContact O-OG1 3.37Å; G280-T282 VanDerWaalsContact C-N 3.33Å; G280-T282 PolarHBondContact O-N 2.81Å; T282-K285 WeakPolarHBondContact O-CB 3.44Å; T282-K285 PolarHBondContact O-N 3.34Å; T282-V286 WeakPolarHBondContact O-CG2 3.34Å; T282-V286 PolarHBondContact O-N 2.89Å |
| 283 | L | 97.4 | Very high | 97.1 | Very high | 120 Ų | 120 | 100.3 Ų | 100.3 | 63% | 0.628 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65 | -42.4 | 177.8 | -171.4 | 68.4 | 0 | 0 | 0 | 111.6 | I279 G280 K285 V286 S287 | I279-L283 WeakPolarHBondContact O-CB 3.25Å; I279-L283 PolarHBondContact O-N 3.36Å; G280-L283 PolarHBondContact O-N 3.2Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 2.96Å; L283-V286 PolarHBondContact O-N 2.86Å; L283-S287 WeakPolarHBondContact O-CB 3.38Å; L283-S287 PolarHBondContact O-N 3.37Å |
| 284 | E | 97.6 | Very high | 97.1 | Very high | 140 Ų | 140 | 101.2 Ų | 101.2 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | 173.8 | -72.3 | 179.4 | 175.4 | 0 | 0 | 112.2 | G280 S287 S288 | G280-E284 WeakPolarHBondContact O-CG 3.24Å; G280-E284 PolarHBondContact O-N 3.1Å; E284-S287 PolarHBondContact O-N 3.2Å; E284-S288 WeakPolarHBondContact O-CB 3.34Å; E284-S288 PolarHBondContact O-N 3.32Å; E284-S288 PolarHBondContact O-OG 2.92Å |
| 285 | K | 97.3 | Very high | 97.1 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 173.5 | -75.9 | 173.2 | -176.3 | 174.8 | 0 | 112.2 | K281 T282 L283 S288 R289 | K281-K285 WeakPolarHBondContact O-CB 3.39Å; K281-K285 VanDerWaalsContact O-CG 3.25Å; K281-K285 WeakPolarHBondContact O-CG 3.49Å; K281-K285 PolarHBondContact O-N 3.43Å; T282-K285 WeakPolarHBondContact O-CB 3.44Å; T282-K285 PolarHBondContact O-N 3.34Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 2.96Å; K285-S288 WeakPolarHBondContact CA-OG 3.37Å; K285-S288 PolarHBondContact O-OG 3.49Å; K285-R289 WeakPolarHBondContact O-CB 3.47Å; K285-R289 WeakPolarHBondContact O-CD 3.43Å; K285-R289 VanDerWaalsContact O-CG 3.24Å; K285-R289 WeakPolarHBondContact O-CG 3.32Å; K285-R289 PolarHBondContact O-N 3.44Å; K285-R289 VanDerWaalsContact O-N 3.15Å |
| 286 | V | 97.1 | Very high | 97 | Very high | 67 Ų | 67 | 101.5 Ų | 101.5 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -50.2 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | T282 L283 S288 R289 E290 | T282-V286 WeakPolarHBondContact O-CG2 3.34Å; T282-V286 PolarHBondContact O-N 2.89Å; L283-V286 PolarHBondContact O-N 2.86Å; V286-S288 VanDerWaalsContact C-N 3.32Å; V286-S288 PolarHBondContact O-N 2.91Å; V286-R289 WeakPolarHBondContact O-CB 3.34Å; V286-R289 PolarHBondContact O-N 3.13Å; V286-R289 VanDerWaalsContact O-N 3.08Å; V286-E290 HydrophobicContact CG1-CG 4.26Å; V286-E290 WeakPolarHBondContact CG1-OE1 3.35Å; V286-E290 WeakPolarHBondContact O-CG 3.36Å; V286-E290 PolarHBondContact O-N 2.71Å |
| 287 | S | 97.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | -179.8 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | L283 E284 E290 K291 | L283-S287 WeakPolarHBondContact O-CB 3.38Å; L283-S287 PolarHBondContact O-N 3.37Å; E284-S287 PolarHBondContact O-N 3.2Å; S287-E290 PolarHBondContact O-N 2.94Å; S287-K291 WeakPolarHBondContact O-CB 3.39Å; S287-K291 VanDerWaalsContact O-CG 3.32Å; S287-K291 WeakPolarHBondContact O-CG 3.42Å; S287-K291 PolarHBondContact O-N 3.43Å |
| 288 | S | 97.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 98.4 Ų | 98.4 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | E284 K285 V286 K291 Y292 | E284-S288 WeakPolarHBondContact O-CB 3.34Å; E284-S288 PolarHBondContact O-N 3.32Å; E284-S288 PolarHBondContact O-OG 2.92Å; K285-S288 WeakPolarHBondContact CA-OG 3.37Å; K285-S288 PolarHBondContact O-OG 3.49Å; V286-S288 VanDerWaalsContact C-N 3.32Å; V286-S288 PolarHBondContact O-N 2.91Å; S288-K291 PolarHBondContact O-N 2.89Å; S288-Y292 WeakPolarHBondContact O-CB 3.37Å; S288-Y292 PolarHBondContact O-N 2.94Å |
| 289 | R | 96.5 | Very high | 96.8 | Very high | 157 Ų | 157 | 97.1 Ų | 97.1 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.1 | -41.2 | 174 | -75.1 | 166.9 | 175.9 | 138.6 | -4.5 | 112.1 | K285 V286 Y292 I293 | K285-R289 WeakPolarHBondContact O-CB 3.47Å; K285-R289 WeakPolarHBondContact O-CD 3.43Å; K285-R289 VanDerWaalsContact O-CG 3.24Å; K285-R289 WeakPolarHBondContact O-CG 3.32Å; K285-R289 PolarHBondContact O-N 3.44Å; K285-R289 VanDerWaalsContact O-N 3.15Å; V286-R289 WeakPolarHBondContact O-CB 3.34Å; V286-R289 PolarHBondContact O-N 3.13Å; V286-R289 VanDerWaalsContact O-N 3.08Å; R289-Y292 WeakPolarHBondContact O-CB 3.46Å; R289-Y292 PolarHBondContact O-N 3.28Å; R289-I293 VanDerWaalsContact O-CG1 3.29Å; R289-I293 WeakPolarHBondContact O-CG1 3.45Å; R289-I293 PolarHBondContact O-N 3.42Å |
| 290 | E | 96.1 | Very high | 96.7 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 174.1 | -73.9 | 175.2 | 172.4 | 0 | 0 | 111.2 | V286 S287 Y292 I293 N294 | V286-E290 HydrophobicContact CG1-CG 4.26Å; V286-E290 WeakPolarHBondContact CG1-OE1 3.35Å; V286-E290 WeakPolarHBondContact O-CG 3.36Å; V286-E290 PolarHBondContact O-N 2.71Å; S287-E290 PolarHBondContact O-N 2.94Å; E290-Y292 VanDerWaalsContact C-N 3.29Å; E290-Y292 PolarHBondContact O-N 2.99Å; E290-I293 PolarHBondContact O-N 3.48Å; E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 VanDerWaalsContact O-CG 3.22Å; E290-N294 PolarHBondContact O-N 2.91Å; E290-N294 PolarHBondContact O-ND2 3.38Å |
| 291 | K | 97.2 | Very high | 96.6 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.1 | -41.6 | 174.2 | -75.4 | 175.2 | -176.3 | 176 | 0 | 111.8 | S287 S288 N295 | S287-K291 WeakPolarHBondContact O-CB 3.39Å; S287-K291 VanDerWaalsContact O-CG 3.32Å; S287-K291 WeakPolarHBondContact O-CG 3.42Å; S287-K291 PolarHBondContact O-N 3.43Å; S288-K291 PolarHBondContact O-N 2.89Å; K291-N295 WeakPolarHBondContact O-CB 3.37Å; K291-N295 PolarHBondContact O-N 3.15Å; K291-N295 PolarHBondContact O-ND2 2.92Å |
| 292 | Y | 96.8 | Very high | 96.5 | Very high | 152 Ų | 152 | 99.1 Ų | 99.1 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -47.8 | 176.7 | 178.9 | -98.3 | 0 | 0 | 0 | 111.9 | S288 R289 E290 N295 Q296 | S288-Y292 WeakPolarHBondContact O-CB 3.37Å; S288-Y292 PolarHBondContact O-N 2.94Å; R289-Y292 WeakPolarHBondContact O-CB 3.46Å; R289-Y292 PolarHBondContact O-N 3.28Å; E290-Y292 VanDerWaalsContact C-N 3.29Å; E290-Y292 PolarHBondContact O-N 2.99Å; Y292-N295 PolarHBondContact O-N 3.38Å; Y292-Q296 HydrophobicContact CD1-CG 4.47Å; Y292-Q296 HydrophobicContact CE1-CG 4.09Å; Y292-Q296 WeakPolarHBondContact O-CG 3.37Å; Y292-Q296 PolarHBondContact O-N 3.26Å; Y292-Q296 VanDerWaalsContact O-N 3.08Å |
| 293 | I | 96.2 | Very high | 96.6 | Very high | 89 Ų | 89 | 101.4 Ų | 101.4 | 46% | 0.456 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.4 | -69.2 | 166.2 | 0 | 0 | 0 | 110.3 | R289 E290 N295 Q296 L297 | R289-I293 VanDerWaalsContact O-CG1 3.29Å; R289-I293 WeakPolarHBondContact O-CG1 3.45Å; R289-I293 PolarHBondContact O-N 3.42Å; E290-I293 PolarHBondContact O-N 3.48Å; I293-N295 VanDerWaalsContact C-N 3.32Å; I293-N295 PolarHBondContact O-N 2.9Å; I293-Q296 PolarHBondContact O-N 3.43Å; I293-L297 HydrophobicContact CG2-CD1 3.59Å; I293-L297 HydrophobicContact CG2-CG 4.07Å; I293-L297 WeakPolarHBondContact O-CB 3.47Å; I293-L297 WeakPolarHBondContact O-CG 3.4Å; I293-L297 PolarHBondContact O-N 2.95Å |
| 294 | N | 96.1 | Very high | 96.5 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.8 | -72.4 | -16.7 | 0 | 0 | 0 | 111.4 | E290 Q296 L297 E298 | E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 VanDerWaalsContact O-CG 3.22Å; E290-N294 PolarHBondContact O-N 2.91Å; E290-N294 PolarHBondContact O-ND2 3.38Å; N294-Q296 VanDerWaalsContact C-N 3.26Å; N294-Q296 PolarHBondContact O-N 3.44Å; N294-L297 PolarHBondContact O-N 3.33Å; N294-E298 WeakPolarHBondContact O-CB 3.3Å; N294-E298 PolarHBondContact O-N 3.42Å |
| 295 | N | 96.5 | Very high | 96.5 | Very high | 120 Ų | 120 | 102.8 Ų | 102.8 | 64% | 0.642 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -30.6 | 175.7 | -73.7 | -13.1 | 0 | 0 | 0 | 113.2 | K291 Y292 I293 P299 | K291-N295 WeakPolarHBondContact O-CB 3.37Å; K291-N295 PolarHBondContact O-N 3.15Å; K291-N295 PolarHBondContact O-ND2 2.92Å; Y292-N295 PolarHBondContact O-N 3.38Å; I293-N295 VanDerWaalsContact C-N 3.32Å; I293-N295 PolarHBondContact O-N 2.9Å; N295-P299 WeakPolarHBondContact O-CD 3.36Å |
| 296 | Q | 95.3 | Very high | 96.5 | Very high | 103 Ų | 103 | 100.9 Ų | 100.9 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.4 | -35.7 | 174.8 | -66.7 | -66.5 | -32.4 | 0 | 0 | 112.3 | Y292 I293 N294 P299 | Y292-Q296 HydrophobicContact CD1-CG 4.47Å; Y292-Q296 HydrophobicContact CE1-CG 4.09Å; Y292-Q296 WeakPolarHBondContact O-CG 3.37Å; Y292-Q296 PolarHBondContact O-N 3.26Å; Y292-Q296 VanDerWaalsContact O-N 3.08Å; I293-Q296 PolarHBondContact O-N 3.43Å; N294-Q296 VanDerWaalsContact C-N 3.26Å; N294-Q296 PolarHBondContact O-N 3.44Å; Q296-P299 WeakPolarHBondContact O-CD 3.49Å; Q296-P299 VanDerWaalsContact O-CG 3.31Å; Q296-P299 WeakPolarHBondContact O-CG 3.4Å |
| 297 | L | 94.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 100.3 Ų | 100.3 | 41% | 0.408 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -81.7 | -31.3 | -178.1 | -67.9 | -180 | 0 | 0 | 0 | 113 | I293 N294 L300 I301 | I293-L297 HydrophobicContact CG2-CD1 3.59Å; I293-L297 HydrophobicContact CG2-CG 4.07Å; I293-L297 WeakPolarHBondContact O-CB 3.47Å; I293-L297 WeakPolarHBondContact O-CG 3.4Å; I293-L297 PolarHBondContact O-N 2.95Å; N294-L297 PolarHBondContact O-N 3.33Å; L297-L300 HydrophobicContact CD2-CD1 4.28Å; L297-L300 WeakPolarHBondContact O-CB 3.35Å; L297-L300 PolarHBondContact O-N 2.89Å; L297-L300 VanDerWaalsContact O-N 3.12Å; L297-I301 HydrophobicContact CB-CD1 4.28Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.41Å; L297-I301 PolarHBondContact O-N 2.91Å |
| 298 | E | 96.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 103.3 Ų | 103.3 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -52.4 | -49.1 | 178.9 | -165.2 | 64.7 | -142 | 0 | 0 | 113.4 | N294 L300 I301 Q302 | N294-E298 WeakPolarHBondContact O-CB 3.3Å; N294-E298 PolarHBondContact O-N 3.42Å; E298-L300 PolarHBondContact O-N 3.04Å; E298-I301 PolarHBondContact O-N 3.36Å; E298-Q302 WeakPolarHBondContact O-CB 3.34Å; E298-Q302 PolarHBondContact O-N 3.34Å |
| 299 | P | 96.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 102.7 Ų | 102.7 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.9 | 24.9 | -34.4 | 0 | 0 | 0 | 112.4 | N295 Q296 Q302 E303 | N295-P299 WeakPolarHBondContact O-CD 3.36Å; Q296-P299 WeakPolarHBondContact O-CD 3.49Å; Q296-P299 VanDerWaalsContact O-CG 3.31Å; Q296-P299 WeakPolarHBondContact O-CG 3.4Å; P299-Q302 PolarHBondContact O-N 3Å; P299-E303 WeakPolarHBondContact O-CG 3.5Å; P299-E303 PolarHBondContact O-N 2.87Å |
| 300 | L | 95.4 | Very high | 96.5 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 177.2 | -68.9 | 169.6 | 0 | 0 | 0 | 111.9 | L297 E298 Q302 E303 Y304 | L297-L300 HydrophobicContact CD2-CD1 4.28Å; L297-L300 WeakPolarHBondContact O-CB 3.35Å; L297-L300 PolarHBondContact O-N 2.89Å; L297-L300 VanDerWaalsContact O-N 3.12Å; E298-L300 PolarHBondContact O-N 3.04Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; L300-E303 PolarHBondContact O-N 2.68Å; L300-Y304 WeakPolarHBondContact O-CB 3.33Å; L300-Y304 PolarHBondContact O-N 2.83Å |
| 301 | I | 96.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 103.3 Ų | 103.3 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 174.4 | -69.1 | 166.9 | 0 | 0 | 0 | 109.9 | L297 E298 Y304 R305 | L297-I301 HydrophobicContact CB-CD1 4.28Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.41Å; L297-I301 PolarHBondContact O-N 2.91Å; E298-I301 PolarHBondContact O-N 3.36Å; I301-Y304 PolarHBondContact O-N 3.43Å; I301-R305 WeakPolarHBondContact O-CB 3.48Å; I301-R305 WeakPolarHBondContact O-CG 3.4Å; I301-R305 PolarHBondContact O-N 3.25Å |
| 302 | Q | 96.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 100.4 Ų | 100.4 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 177 | -170.2 | 57.2 | 46 | 0 | 0 | 112 | E298 P299 L300 R305 N306 | E298-Q302 WeakPolarHBondContact O-CB 3.34Å; E298-Q302 PolarHBondContact O-N 3.34Å; P299-Q302 PolarHBondContact O-N 3Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; Q302-R305 PolarHBondContact O-N 2.83Å; Q302-N306 PolarHBondContact NE2-OD1 3.04Å; Q302-N306 VanDerWaalsContact NE2-OD1 3.1Å; Q302-N306 WeakPolarHBondContact O-CB 3.29Å; Q302-N306 PolarHBondContact O-N 3.04Å; Q302-N306 PolarHBondContact O-ND2 3.41Å; Q302-N306 PolarHBondContact O-OD1 2.94Å |
| 303 | E | 97.1 | Very high | 96.5 | Very high | 126 Ų | 126 | 97.9 Ų | 97.9 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | 172.3 | -75.8 | 179.7 | -170.6 | 0 | 0 | 111.7 | P299 L300 N306 A307 | P299-E303 WeakPolarHBondContact O-CG 3.5Å; P299-E303 PolarHBondContact O-N 2.87Å; L300-E303 PolarHBondContact O-N 2.68Å; E303-N306 PolarHBondContact O-N 2.76Å; E303-A307 WeakPolarHBondContact O-CB 3.15Å; E303-A307 PolarHBondContact O-N 3.36Å |
| 304 | Y | 96.2 | Very high | 96.5 | Very high | 155 Ų | 155 | 96.1 Ų | 96.1 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 175.1 | 176.1 | -95.5 | 0 | 0 | 0 | 111.8 | L300 I301 N306 A307 Q308 | L300-Y304 WeakPolarHBondContact O-CB 3.33Å; L300-Y304 PolarHBondContact O-N 2.83Å; I301-Y304 PolarHBondContact O-N 3.43Å; Y304-N306 VanDerWaalsContact C-N 3.33Å; Y304-N306 PolarHBondContact O-N 2.91Å; Y304-A307 PolarHBondContact O-N 2.65Å; Y304-Q308 WeakPolarHBondContact O-CB 3.49Å; Y304-Q308 PolarHBondContact O-N 2.88Å |
| 305 | R | 97.1 | Very high | 96.5 | Very high | 134 Ų | 134 | 98.1 Ų | 98.1 | 51% | 0.506 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 175.1 | -75.7 | 176.4 | 178.5 | 161.4 | 2.2 | 111.6 | I301 Q302 Q308 A309 | I301-R305 WeakPolarHBondContact O-CB 3.48Å; I301-R305 WeakPolarHBondContact O-CG 3.4Å; I301-R305 PolarHBondContact O-N 3.25Å; Q302-R305 PolarHBondContact O-N 2.83Å; R305-Q308 PolarHBondContact O-N 2.91Å; R305-A309 WeakPolarHBondContact O-CB 3.35Å; R305-A309 PolarHBondContact O-N 3.25Å |
| 306 | N | 97.6 | Very high | 96.5 | Very high | 74 Ų | 74 | 95.7 Ų | 95.7 | 40% | 0.396 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.2 | -69.4 | -16.4 | 0 | 0 | 0 | 111.7 | Q302 E303 Y304 A309 R310 | Q302-N306 PolarHBondContact NE2-OD1 3.04Å; Q302-N306 VanDerWaalsContact NE2-OD1 3.1Å; Q302-N306 WeakPolarHBondContact O-CB 3.29Å; Q302-N306 PolarHBondContact O-N 3.04Å; Q302-N306 PolarHBondContact O-ND2 3.41Å; Q302-N306 PolarHBondContact O-OD1 2.94Å; E303-N306 PolarHBondContact O-N 2.76Å; Y304-N306 VanDerWaalsContact C-N 3.33Å; Y304-N306 PolarHBondContact O-N 2.91Å; N306-A309 PolarHBondContact O-N 3.37Å; N306-R310 WeakPolarHBondContact O-CG 3.39Å; N306-R310 PolarHBondContact O-N 3.1Å |
| 307 | A | 96.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 98.4 Ų | 98.4 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E303 Y304 R310 L311 | E303-A307 WeakPolarHBondContact O-CB 3.15Å; E303-A307 PolarHBondContact O-N 3.36Å; Y304-A307 PolarHBondContact O-N 2.65Å; A307-R310 PolarHBondContact O-N 3.47Å; A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 2.82Å |
| 308 | Q | 96.9 | Very high | 96.6 | Very high | 108 Ų | 108 | 102.9 Ų | 102.9 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.4 | -174.5 | 175.8 | -1.2 | 0 | 0 | 111.7 | Y304 R305 L311 S312 | Y304-Q308 WeakPolarHBondContact O-CB 3.49Å; Y304-Q308 PolarHBondContact O-N 2.88Å; R305-Q308 PolarHBondContact O-N 2.91Å; Q308-L311 PolarHBondContact O-N 3.12Å; Q308-S312 PolarHBondContact O-N 3.33Å |
| 309 | A | 97.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 104.8 Ų | 104.8 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R305 N306 L311 S312 E313 | R305-A309 WeakPolarHBondContact O-CB 3.35Å; R305-A309 PolarHBondContact O-N 3.25Å; N306-A309 PolarHBondContact O-N 3.37Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.22Å; A309-S312 PolarHBondContact O-N 2.88Å; A309-S312 VanDerWaalsContact O-N 3.15Å; A309-S312 PolarHBondContact O-OG 3.39Å; A309-E313 PolarHBondContact O-N 3.45Å |
| 310 | R | 97.1 | Very high | 96.6 | Very high | 183 Ų | 183 | 107.1 Ų | 107.1 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.5 | -40.5 | 175.7 | -71.8 | 175 | -175.1 | 172.8 | 3.1 | 112.5 | N306 A307 E313 A314 | N306-R310 WeakPolarHBondContact O-CG 3.39Å; N306-R310 PolarHBondContact O-N 3.1Å; A307-R310 PolarHBondContact O-N 3.47Å; R310-E313 PolarHBondContact O-N 2.84Å; R310-A314 WeakPolarHBondContact O-CB 3.48Å; R310-A314 PolarHBondContact O-N 3.34Å |
| 311 | L | 96.1 | Very high | 96.6 | Very high | 94 Ų | 94 | 105.1 Ų | 105.1 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.9 | 179.6 | 64.5 | 0 | 0 | 0 | 111.5 | A307 Q308 A309 E313 A314 K315 | A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 2.82Å; Q308-L311 PolarHBondContact O-N 3.12Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.22Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-A314 PolarHBondContact O-N 2.93Å; L311-K315 HydrophobicContact CD1-CG 4.44Å; L311-K315 HydrophobicContact CG-CD 4.37Å; L311-K315 WeakPolarHBondContact O-CB 3.4Å; L311-K315 WeakPolarHBondContact O-CG 3.35Å; L311-K315 PolarHBondContact O-N 3.06Å |
| 312 | S | 96.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 103.7 Ų | 103.7 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 177.6 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | Q308 A309 K315 E316 | Q308-S312 PolarHBondContact O-N 3.33Å; A309-S312 PolarHBondContact O-N 2.88Å; A309-S312 VanDerWaalsContact O-N 3.15Å; A309-S312 PolarHBondContact O-OG 3.39Å; S312-K315 PolarHBondContact O-N 2.81Å; S312-E316 PolarHBondContact O-N 3.28Å |
| 313 | E | 97.7 | Very high | 96.6 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.8 | -172.7 | -176 | -177.7 | 0 | 0 | 111.4 | A309 R310 L311 K315 E316 R317 | A309-E313 PolarHBondContact O-N 3.45Å; R310-E313 PolarHBondContact O-N 2.84Å; L311-E313 VanDerWaalsContact C-N 3.33Å; E313-K315 PolarHBondContact O-N 3.4Å; E313-E316 PolarHBondContact O-N 2.85Å; E313-R317 WeakPolarHBondContact O-CG 3.44Å; E313-R317 PolarHBondContact O-N 3.32Å; E313-R317 IonicContact OE1-CZ 3.09Å; E313-R317 IonicContact OE1-NE 3.83Å; E313-R317 PolarHBondContact OE1-NE 2.76Å; E313-R317 IonicContact OE1-NH2 3.76Å; E313-R317 PolarHBondContact OE1-NH2 2.74Å |
| 314 | A | 96.6 | Very high | 96.5 | Very high | 53 Ų | 53 | 99 Ų | 99 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R310 L311 R317 Y318 | R310-A314 WeakPolarHBondContact O-CB 3.48Å; R310-A314 PolarHBondContact O-N 3.34Å; L311-A314 PolarHBondContact O-N 2.93Å; A314-R317 PolarHBondContact O-N 3.08Å; A314-Y318 WeakPolarHBondContact O-CB 3.35Å; A314-Y318 PolarHBondContact O-N 3.45Å |
| 315 | K | 96.7 | Very high | 96.6 | Very high | 135 Ų | 135 | 95.8 Ų | 95.8 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 174.4 | -78.8 | -179.1 | 176.5 | -177.6 | 0 | 111.7 | L311 S312 E313 Y318 R319 | L311-K315 HydrophobicContact CD1-CG 4.44Å; L311-K315 HydrophobicContact CG-CD 4.37Å; L311-K315 WeakPolarHBondContact O-CB 3.4Å; L311-K315 WeakPolarHBondContact O-CG 3.35Å; L311-K315 PolarHBondContact O-N 3.06Å; S312-K315 PolarHBondContact O-N 2.81Å; E313-K315 PolarHBondContact O-N 3.4Å; K315-Y318 PolarHBondContact O-N 3.07Å; K315-R319 WeakPolarHBondContact O-CB 3.44Å; K315-R319 PolarHBondContact O-N 2.85Å |
| 316 | E | 96.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 95 Ų | 95 | 33% | 0.327 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 178 | -178.3 | 54 | -155.5 | 0 | 0 | 111.6 | S312 E313 Y318 R319 Q320 | S312-E316 PolarHBondContact O-N 3.28Å; E313-E316 PolarHBondContact O-N 2.85Å; E316-Y318 VanDerWaalsContact C-N 3.33Å; E316-Y318 PolarHBondContact O-N 3.43Å; E316-R319 WeakPolarHBondContact O-CB 3.35Å; E316-R319 PolarHBondContact O-N 3.25Å; E316-R319 IonicContact OE1-CZ 3.79Å; E316-R319 IonicContact OE1-NE 3.74Å; E316-R319 IonicContact OE1-NH2 3.79Å; E316-R319 PolarHBondContact OE1-NH2 2.98Å; E316-R319 IonicContact OE2-CZ 2.69Å; E316-R319 IonicContact OE2-NE 2.73Å; E316-R319 PolarHBondContact OE2-NE 3.43Å; E316-R319 IonicContact OE2-NH2 3.28Å; E316-R319 PolarHBondContact OE2-NH2 3.22Å; E316-Q320 WeakPolarHBondContact O-CG 3.24Å; E316-Q320 PolarHBondContact O-N 3.15Å; E316-Q320 PolarHBondContact OE1-NE2 2.82Å |
| 317 | R | 96.4 | Very high | 96.4 | Very high | 159 Ų | 159 | 94.1 Ų | 94.1 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 173 | -70.8 | 178.8 | -174.5 | -166.4 | 1.9 | 112 | E313 A314 Q320 A321 | E313-R317 WeakPolarHBondContact O-CG 3.44Å; E313-R317 PolarHBondContact O-N 3.32Å; E313-R317 IonicContact OE1-CZ 3.09Å; E313-R317 IonicContact OE1-NE 3.83Å; E313-R317 PolarHBondContact OE1-NE 2.76Å; E313-R317 IonicContact OE1-NH2 3.76Å; E313-R317 PolarHBondContact OE1-NH2 2.74Å; A314-R317 PolarHBondContact O-N 3.08Å; R317-Q320 PolarHBondContact O-N 3.48Å; R317-A321 WeakPolarHBondContact O-CB 3.43Å; R317-A321 PolarHBondContact O-N 3.24Å |
| 318 | Y | 96 | Very high | 96.4 | Very high | 172 Ų | 172 | 100.8 Ų | 100.8 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 175.2 | 177.6 | -95 | 0 | 0 | 0 | 111.7 | A314 K315 E316 Q320 A321 S322 | A314-Y318 WeakPolarHBondContact O-CB 3.35Å; A314-Y318 PolarHBondContact O-N 3.45Å; K315-Y318 PolarHBondContact O-N 3.07Å; E316-Y318 VanDerWaalsContact C-N 3.33Å; E316-Y318 PolarHBondContact O-N 3.43Å; Y318-Q320 PolarHBondContact O-N 2.82Å; Y318-A321 PolarHBondContact O-N 3.08Å; Y318-S322 VanDerWaalsContact O-CB 3.26Å; Y318-S322 WeakPolarHBondContact O-CB 3.45Å; Y318-S322 PolarHBondContact O-N 2.94Å |
| 319 | R | 96.1 | Very high | 96.4 | Very high | 141 Ų | 141 | 99.6 Ų | 99.6 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 176.8 | -169.4 | -176.6 | 73.1 | 89.7 | 2 | 111 | K315 E316 S322 V323 | K315-R319 WeakPolarHBondContact O-CB 3.44Å; K315-R319 PolarHBondContact O-N 2.85Å; E316-R319 WeakPolarHBondContact O-CB 3.35Å; E316-R319 PolarHBondContact O-N 3.25Å; E316-R319 IonicContact OE1-CZ 3.79Å; E316-R319 IonicContact OE1-NE 3.74Å; E316-R319 IonicContact OE1-NH2 3.79Å; E316-R319 PolarHBondContact OE1-NH2 2.98Å; E316-R319 IonicContact OE2-CZ 2.69Å; E316-R319 IonicContact OE2-NE 2.73Å; E316-R319 PolarHBondContact OE2-NE 3.43Å; E316-R319 IonicContact OE2-NH2 3.28Å; E316-R319 PolarHBondContact OE2-NH2 3.22Å; R319-S322 PolarHBondContact O-N 2.87Å; R319-V323 WeakPolarHBondContact O-CG2 3.48Å; R319-V323 PolarHBondContact O-N 3.49Å |
| 320 | Q | 95.9 | Very high | 96.3 | Very high | 113 Ų | 113 | 105.4 Ų | 105.4 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 176.6 | -70.1 | 174.6 | 10.6 | 0 | 0 | 111.9 | E316 R317 Y318 V323 G324 | E316-Q320 WeakPolarHBondContact O-CG 3.24Å; E316-Q320 PolarHBondContact O-N 3.15Å; E316-Q320 PolarHBondContact OE1-NE2 2.82Å; R317-Q320 PolarHBondContact O-N 3.48Å; Y318-Q320 PolarHBondContact O-N 2.82Å; Q320-V323 PolarHBondContact O-N 2.93Å; Q320-G324 PolarHBondContact O-N 3.31Å |
| 321 | A | 96 | Very high | 96.3 | Very high | 58 Ų | 58 | 100.2 Ų | 100.2 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R317 Y318 G324 V325 | R317-A321 WeakPolarHBondContact O-CB 3.43Å; R317-A321 PolarHBondContact O-N 3.24Å; Y318-A321 PolarHBondContact O-N 3.08Å; A321-G324 CarbonylContact O-C 3.58Å; A321-G324 PolarHBondContact O-N 3.39Å; A321-V325 WeakPolarHBondContact O-CG2 3.5Å; A321-V325 PolarHBondContact O-N 2.92Å |
| 322 | S | 95.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 101 Ų | 101 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | Y318 R319 G324 V325 M326 | Y318-S322 VanDerWaalsContact O-CB 3.26Å; Y318-S322 WeakPolarHBondContact O-CB 3.45Å; Y318-S322 PolarHBondContact O-N 2.94Å; R319-S322 PolarHBondContact O-N 2.87Å; S322-G324 VanDerWaalsContact C-N 3.32Å; S322-G324 PolarHBondContact O-N 3.41Å; S322-V325 PolarHBondContact O-N 3.31Å; S322-M326 WeakPolarHBondContact O-CG 3.32Å; S322-M326 PolarHBondContact O-N 2.91Å |
| 323 | V | 96.7 | Very high | 96.3 | Very high | 78 Ų | 78 | 100.3 Ų | 100.3 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 172.5 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | R319 Q320 M326 A327 | R319-V323 WeakPolarHBondContact O-CG2 3.48Å; R319-V323 PolarHBondContact O-N 3.49Å; Q320-V323 PolarHBondContact O-N 2.93Å; V323-M326 HydrophobicContact CG2-CE 4.31Å; V323-M326 PolarHBondContact O-N 2.97Å; V323-A327 PolarHBondContact O-N 3.25Å |
| 324 | G | 95.7 | Very high | 96.3 | Very high | 31 Ų | 31 | 99.9 Ų | 99.9 | 32% | 0.32 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q320 A321 S322 A327 R328 | Q320-G324 PolarHBondContact O-N 3.31Å; A321-G324 CarbonylContact O-C 3.58Å; A321-G324 PolarHBondContact O-N 3.39Å; S322-G324 VanDerWaalsContact C-N 3.32Å; S322-G324 PolarHBondContact O-N 3.41Å; G324-A327 PolarHBondContact O-N 2.86Å; G324-R328 WeakPolarHBondContact O-CG 3.32Å; G324-R328 PolarHBondContact O-N 3.39Å |
| 325 | V | 97 | Very high | 96.3 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | A321 S322 A327 R328 T329 | A321-V325 WeakPolarHBondContact O-CG2 3.5Å; A321-V325 PolarHBondContact O-N 2.92Å; S322-V325 PolarHBondContact O-N 3.31Å; V325-A327 VanDerWaalsContact C-N 3.31Å; V325-A327 PolarHBondContact O-N 3.5Å; V325-R328 PolarHBondContact O-N 2.87Å; V325-R328 VanDerWaalsContact O-N 3.15Å; V325-T329 WeakPolarHBondContact O-CB 3.36Å; V325-T329 PolarHBondContact O-N 3.21Å; V325-T329 PolarHBondContact O-OG1 3.3Å |
| 326 | M | 95.9 | Very high | 96.3 | Very high | 118 Ų | 118 | 98.2 Ų | 98.2 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.6 | -42.3 | 177 | -74.2 | -169.1 | -71.5 | 0 | 0 | 112.3 | S322 V323 T329 R330 | S322-M326 WeakPolarHBondContact O-CG 3.32Å; S322-M326 PolarHBondContact O-N 2.91Å; V323-M326 HydrophobicContact CG2-CE 4.31Å; V323-M326 PolarHBondContact O-N 2.97Å; M326-T329 PolarHBondContact O-N 3.43Å; M326-R330 WeakPolarHBondContact O-CB 3.42Å; M326-R330 PolarHBondContact O-N 3.02Å |
| 327 | A | 95.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 101.8 Ų | 101.8 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V323 G324 V325 R330 V331 | V323-A327 PolarHBondContact O-N 3.25Å; G324-A327 PolarHBondContact O-N 2.86Å; V325-A327 VanDerWaalsContact C-N 3.31Å; V325-A327 PolarHBondContact O-N 3.5Å; A327-R330 WeakPolarHBondContact O-CB 3.44Å; A327-R330 PolarHBondContact O-N 3.46Å; A327-V331 WeakPolarHBondContact O-CG2 3.45Å; A327-V331 PolarHBondContact O-N 3.46Å |
| 328 | R | 95.2 | Very high | 96.4 | Very high | 195 Ų | 195 | 100.4 Ų | 100.4 | 74% | 0.736 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.9 | -38.9 | 176.7 | -72.8 | 177.3 | 178.8 | -175.6 | 0 | 112.7 | G324 V325 R330 V331 L332 | G324-R328 WeakPolarHBondContact O-CG 3.32Å; G324-R328 PolarHBondContact O-N 3.39Å; V325-R328 PolarHBondContact O-N 2.87Å; V325-R328 VanDerWaalsContact O-N 3.15Å; R328-R330 VanDerWaalsContact C-N 3.32Å; R328-V331 PolarHBondContact O-N 2.83Å; R328-L332 WeakPolarHBondContact O-CB 3.21Å; R328-L332 WeakPolarHBondContact O-CG 3.37Å; R328-L332 PolarHBondContact O-N 3.21Å |
| 329 | T | 96.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 96.8 Ų | 96.8 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | V325 M326 L332 A333 | V325-T329 WeakPolarHBondContact O-CB 3.36Å; V325-T329 PolarHBondContact O-N 3.21Å; V325-T329 PolarHBondContact O-OG1 3.3Å; M326-T329 PolarHBondContact O-N 3.43Å; T329-L332 PolarHBondContact O-N 2.86Å; T329-A333 PolarHBondContact O-N 3.3Å |
| 330 | R | 96.8 | Very high | 96.4 | Very high | 175 Ų | 175 | 94.4 Ų | 94.4 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -48.5 | 174.8 | -171.9 | -176.9 | -176.5 | 112.6 | 3 | 111.7 | M326 A327 R328 L332 A333 E334 | M326-R330 WeakPolarHBondContact O-CB 3.42Å; M326-R330 PolarHBondContact O-N 3.02Å; A327-R330 WeakPolarHBondContact O-CB 3.44Å; A327-R330 PolarHBondContact O-N 3.46Å; R328-R330 VanDerWaalsContact C-N 3.32Å; R330-L332 VanDerWaalsContact C-N 3.3Å; R330-L332 PolarHBondContact O-N 3.12Å; R330-A333 WeakPolarHBondContact O-CB 3.48Å; R330-A333 PolarHBondContact O-N 3.39Å; R330-A333 VanDerWaalsContact O-N 3.12Å; R330-E334 IonicContact NE-OE1 2.6Å; R330-E334 PolarHBondContact NE-OE1 2.88Å; R330-E334 PolarHBondContact O-N 3.41Å |
| 331 | V | 96.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | A327 R328 A333 E334 I335 | A327-V331 WeakPolarHBondContact O-CG2 3.45Å; A327-V331 PolarHBondContact O-N 3.46Å; R328-V331 PolarHBondContact O-N 2.83Å; V331-A333 VanDerWaalsContact C-N 3.33Å; V331-A333 PolarHBondContact O-N 3.07Å; V331-E334 PolarHBondContact O-N 2.9Å; V331-I335 HydrophobicContact CG1-CD1 3.77Å; V331-I335 HydrophobicContact CG1-CG1 4.36Å; V331-I335 VanDerWaalsContact O-CG1 3.29Å; V331-I335 WeakPolarHBondContact O-CG1 3.48Å; V331-I335 PolarHBondContact O-N 3.46Å |
| 332 | L | 96.6 | Very high | 96.4 | Very high | 110 Ų | 110 | 96.9 Ų | 96.9 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -38.4 | 174.3 | -85.9 | 167.9 | 0 | 0 | 0 | 112.6 | R328 T329 R330 S336 | R328-L332 WeakPolarHBondContact O-CB 3.21Å; R328-L332 WeakPolarHBondContact O-CG 3.37Å; R328-L332 PolarHBondContact O-N 3.21Å; T329-L332 PolarHBondContact O-N 2.86Å; R330-L332 VanDerWaalsContact C-N 3.3Å; R330-L332 PolarHBondContact O-N 3.12Å; L332-S336 WeakPolarHBondContact O-CB 3.25Å; L332-S336 PolarHBondContact O-N 3.11Å; L332-S336 PolarHBondContact O-OG 2.91Å |
| 333 | A | 96.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 100.1 Ų | 100.1 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T329 R330 V331 S336 E337 | T329-A333 PolarHBondContact O-N 3.3Å; R330-A333 WeakPolarHBondContact O-CB 3.48Å; R330-A333 PolarHBondContact O-N 3.39Å; R330-A333 VanDerWaalsContact O-N 3.12Å; V331-A333 VanDerWaalsContact C-N 3.33Å; V331-A333 PolarHBondContact O-N 3.07Å; A333-S336 PolarHBondContact O-N 3.44Å; A333-E337 PolarHBondContact O-N 2.88Å |
| 334 | E | 97.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 101.2 Ų | 101.2 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 175.3 | -72.5 | 168.2 | -170.2 | 0 | 0 | 111.2 | R330 V331 S336 E337 E338 | R330-E334 IonicContact NE-OE1 2.6Å; R330-E334 PolarHBondContact NE-OE1 2.88Å; R330-E334 PolarHBondContact O-N 3.41Å; V331-E334 PolarHBondContact O-N 2.9Å; E334-S336 VanDerWaalsContact C-N 3.31Å; E334-S336 PolarHBondContact O-N 2.96Å; E334-E337 PolarHBondContact O-N 2.86Å; E334-E338 WeakPolarHBondContact O-CG 3.46Å; E334-E338 PolarHBondContact O-N 2.9Å |
| 335 | I | 97.3 | Very high | 96.3 | Very high | 92 Ų | 92 | 103.7 Ų | 103.7 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 176.2 | -67.2 | 169.2 | 0 | 0 | 0 | 111.7 | V331 E338 L339 | V331-I335 HydrophobicContact CG1-CD1 3.77Å; V331-I335 HydrophobicContact CG1-CG1 4.36Å; V331-I335 VanDerWaalsContact O-CG1 3.29Å; V331-I335 WeakPolarHBondContact O-CG1 3.48Å; V331-I335 PolarHBondContact O-N 3.46Å; I335-E338 PolarHBondContact O-N 2.91Å; I335-L339 VanDerWaalsContact O-CB 3.31Å; I335-L339 WeakPolarHBondContact O-CB 3.35Å; I335-L339 PolarHBondContact O-N 3.23Å |
| 336 | S | 96.6 | Very high | 96 | Very high | 60 Ų | 60 | 106.4 Ų | 106.4 | 42% | 0.42 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | L332 A333 E334 L339 D340 | L332-S336 WeakPolarHBondContact O-CB 3.25Å; L332-S336 PolarHBondContact O-N 3.11Å; L332-S336 PolarHBondContact O-OG 2.91Å; A333-S336 PolarHBondContact O-N 3.44Å; E334-S336 VanDerWaalsContact C-N 3.31Å; E334-S336 PolarHBondContact O-N 2.96Å; S336-L339 PolarHBondContact O-N 3.49Å; S336-D340 PolarHBondContact O-N 3.43Å |
| 337 | E | 97 | Very high | 95.9 | Very high | 146 Ų | 146 | 107 Ų | 107 | 68% | 0.682 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -43.4 | 174.2 | -173.5 | 176.2 | -176.4 | 0 | 0 | 111.5 | A333 E334 L339 D340 K341 | A333-E337 PolarHBondContact O-N 2.88Å; E334-E337 PolarHBondContact O-N 2.86Å; E337-L339 VanDerWaalsContact C-N 3.32Å; E337-L339 PolarHBondContact O-N 3.24Å; E337-D340 PolarHBondContact O-N 3.25Å; E337-K341 WeakPolarHBondContact O-CB 3.38Å; E337-K341 PolarHBondContact O-N 3.41Å |
| 338 | E | 96.8 | Very high | 95.6 | Very high | 129 Ų | 129 | 108.4 Ų | 108.4 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 172.7 | -74 | -177.4 | 175.7 | 0 | 0 | 111.9 | E334 I335 K341 V342 | E334-E338 WeakPolarHBondContact O-CG 3.46Å; E334-E338 PolarHBondContact O-N 2.9Å; I335-E338 PolarHBondContact O-N 2.91Å; E338-K341 PolarHBondContact O-N 3.23Å; E338-V342 WeakPolarHBondContact O-CG2 3.45Å; E338-V342 PolarHBondContact O-N 3.43Å |
| 339 | L | 96.3 | Very high | 95.3 | Very high | 96 Ų | 96 | 106.1 Ų | 106.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.4 | -176.6 | 70.6 | 0 | 0 | 0 | 111.6 | I335 S336 E337 K341 V342 K343 | I335-L339 VanDerWaalsContact O-CB 3.31Å; I335-L339 WeakPolarHBondContact O-CB 3.35Å; I335-L339 PolarHBondContact O-N 3.23Å; S336-L339 PolarHBondContact O-N 3.49Å; E337-L339 VanDerWaalsContact C-N 3.32Å; E337-L339 PolarHBondContact O-N 3.24Å; L339-K341 VanDerWaalsContact C-N 3.33Å; L339-V342 PolarHBondContact O-N 2.96Å; L339-K343 WeakPolarHBondContact O-CG 3.49Å; L339-K343 PolarHBondContact O-N 3.22Å |
| 340 | D | 95.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 104 Ų | 104 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.5 | -34.4 | 178.4 | -75.5 | -17.8 | 0 | 0 | 0 | 111.7 | S336 E337 K343 Q344 | S336-D340 PolarHBondContact O-N 3.43Å; E337-D340 PolarHBondContact O-N 3.25Å; D340-K343 PolarHBondContact O-N 2.97Å; D340-K343 IonicContact OD1-NZ 3.54Å; D340-K343 PolarHBondContact OD1-NZ 3.13Å; D340-Q344 PolarHBondContact O-N 3.37Å |
| 341 | K | 96.5 | Very high | 94.4 | Very high | 136 Ų | 136 | 99 Ų | 99 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 169.8 | -174.2 | -178.4 | 176.3 | -174.6 | 0 | 111.8 | E337 E338 L339 K343 Q344 E345 | E337-K341 WeakPolarHBondContact O-CB 3.38Å; E337-K341 PolarHBondContact O-N 3.41Å; E338-K341 PolarHBondContact O-N 3.23Å; L339-K341 VanDerWaalsContact C-N 3.33Å; K341-K343 VanDerWaalsContact C-N 3.33Å; K341-K343 PolarHBondContact O-N 2.95Å; K341-Q344 PolarHBondContact O-N 3.46Å; K341-E345 WeakPolarHBondContact CE-OE1 3.39Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 3.24Å |
| 342 | V | 96.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 99.7 Ų | 99.7 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | E338 L339 E345 M346 | E338-V342 WeakPolarHBondContact O-CG2 3.45Å; E338-V342 PolarHBondContact O-N 3.43Å; L339-V342 PolarHBondContact O-N 2.96Å; V342-E345 PolarHBondContact O-N 3.45Å; V342-M346 VanDerWaalsContact O-CB 3.3Å; V342-M346 WeakPolarHBondContact O-CB 3.43Å; V342-M346 PolarHBondContact O-N 2.66Å |
| 343 | K | 95.6 | Very high | 92.8 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 48% | 0.478 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -45 | 173.1 | -74.6 | 177.6 | -164 | 151.3 | 0 | 111.6 | L339 D340 K341 M346 E347 | L339-K343 WeakPolarHBondContact O-CG 3.49Å; L339-K343 PolarHBondContact O-N 3.22Å; D340-K343 PolarHBondContact O-N 2.97Å; D340-K343 IonicContact OD1-NZ 3.54Å; D340-K343 PolarHBondContact OD1-NZ 3.13Å; K341-K343 VanDerWaalsContact C-N 3.33Å; K341-K343 PolarHBondContact O-N 2.95Å; K343-M346 CarbonylContact O-C 3.56Å; K343-M346 WeakPolarHBondContact O-CB 3.14Å; K343-M346 PolarHBondContact O-N 3.44Å; K343-E347 WeakPolarHBondContact O-CB 3.35Å; K343-E347 PolarHBondContact O-N 3.25Å |
| 344 | Q | 95.1 | Very high | 92 | Very high | 100 Ų | 100 | 105 Ų | 105 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -45.9 | 177.2 | -171.8 | 63.9 | 48.8 | 0 | 0 | 110.9 | D340 K341 M346 E347 D348 | D340-Q344 PolarHBondContact O-N 3.37Å; K341-Q344 PolarHBondContact O-N 3.46Å; Q344-M346 VanDerWaalsContact C-N 3.27Å; Q344-M346 PolarHBondContact O-N 2.86Å; Q344-E347 PolarHBondContact O-N 2.84Å; Q344-E347 VanDerWaalsContact O-N 3.17Å; Q344-D348 PolarHBondContact NE2-OD1 3.32Å; Q344-D348 WeakPolarHBondContact O-CB 3.49Å; Q344-D348 PolarHBondContact O-N 3.05Å |
| 345 | E | 94.7 | Very high | 91.1 | Very high | 84 Ų | 84 | 104.9 Ų | 104.9 | 39% | 0.393 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -36.1 | 175.3 | -72.6 | -179.8 | -165.1 | 0 | 0 | 112.4 | K341 V342 K349 | K341-E345 WeakPolarHBondContact CE-OE1 3.39Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 3.24Å; V342-E345 PolarHBondContact O-N 3.45Å; E345-K349 WeakPolarHBondContact O-CB 3.12Å; E345-K349 VanDerWaalsContact O-CG 3.3Å; E345-K349 WeakPolarHBondContact O-CG 3.3Å; E345-K349 PolarHBondContact O-N 2.89Å |
| 346 | M | 91.3 | Very high | 90.4 | Very high | 145 Ų | 145 | 102.2 Ų | 102.2 | 71% | 0.714 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.8 | -38.5 | 175.6 | -176.1 | 179.1 | 137 | 0 | 0 | 111.8 | V342 K343 Q344 G350 | V342-M346 VanDerWaalsContact O-CB 3.3Å; V342-M346 WeakPolarHBondContact O-CB 3.43Å; V342-M346 PolarHBondContact O-N 2.66Å; K343-M346 CarbonylContact O-C 3.56Å; K343-M346 WeakPolarHBondContact O-CB 3.14Å; K343-M346 PolarHBondContact O-N 3.44Å; Q344-M346 VanDerWaalsContact C-N 3.27Å; Q344-M346 PolarHBondContact O-N 2.86Å; M346-G350 WeakPolarHBondContact O-CA 3.44Å; M346-G350 PolarHBondContact O-N 2.93Å |
| 347 | E | 92.6 | Very high | 89.6 | Confident | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.5 | -39.4 | 175.9 | -171.8 | 165.8 | -170.2 | 0 | 0 | 111.8 | K343 Q344 G350 S351 | K343-E347 WeakPolarHBondContact O-CB 3.35Å; K343-E347 PolarHBondContact O-N 3.25Å; Q344-E347 PolarHBondContact O-N 2.84Å; Q344-E347 VanDerWaalsContact O-N 3.17Å; E347-G350 PolarHBondContact O-N 3.37Å; E347-S351 WeakPolarHBondContact O-CB 3.49Å; E347-S351 PolarHBondContact O-N 3.06Å; E347-S351 PolarHBondContact O-OG 3.2Å |
| 348 | D | 90.3 | Very high | 88.9 | Confident | 85 Ų | 85 | 98.4 Ų | 98.4 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.4 | -68.6 | -9.9 | 0 | 0 | 0 | 111 | Q344 S351 S352 | Q344-D348 PolarHBondContact NE2-OD1 3.32Å; Q344-D348 WeakPolarHBondContact O-CB 3.49Å; Q344-D348 PolarHBondContact O-N 3.05Å; D348-S351 WeakPolarHBondContact CA-OG 3.12Å; D348-S351 PolarHBondContact O-OG 3.41Å; D348-S352 VanDerWaalsContact O-CB 3.25Å; D348-S352 WeakPolarHBondContact O-CB 3.29Å; D348-S352 PolarHBondContact O-N 3.06Å |
| 349 | K | 88.3 | Confident | 88.3 | Confident | 147 Ų | 147 | 97 Ų | 97 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.3 | -38.1 | 172.6 | -76.8 | 174.9 | -177.4 | 166.4 | 0 | 112 | E345 S352 M353 | E345-K349 WeakPolarHBondContact O-CB 3.12Å; E345-K349 VanDerWaalsContact O-CG 3.3Å; E345-K349 WeakPolarHBondContact O-CG 3.3Å; E345-K349 PolarHBondContact O-N 2.89Å; K349-S352 PolarHBondContact O-N 2.76Å; K349-M353 VanDerWaalsContact O-CB 3.23Å; K349-M353 WeakPolarHBondContact O-CB 3.23Å; K349-M353 PolarHBondContact O-N 3.48Å |
| 350 | G | 89 | Confident | 87.9 | Confident | 38 Ų | 38 | 96.1 Ų | 96.1 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M346 E347 M353 S354 | M346-G350 WeakPolarHBondContact O-CA 3.44Å; M346-G350 PolarHBondContact O-N 2.93Å; E347-G350 PolarHBondContact O-N 3.37Å; G350-M353 PolarHBondContact O-N 3.48Å; G350-S354 WeakPolarHBondContact O-CB 3.18Å; G350-S354 PolarHBondContact O-N 3.12Å |
| 351 | S | 85.9 | Confident | 87.5 | Confident | 70 Ų | 70 | 98.8 Ų | 98.8 | 49% | 0.49 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -42 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | E347 D348 M353 S354 D355 | E347-S351 WeakPolarHBondContact O-CB 3.49Å; E347-S351 PolarHBondContact O-N 3.06Å; E347-S351 PolarHBondContact O-OG 3.2Å; D348-S351 WeakPolarHBondContact CA-OG 3.12Å; D348-S351 PolarHBondContact O-OG 3.41Å; S351-M353 VanDerWaalsContact C-N 3.34Å; S351-M353 PolarHBondContact O-N 3.41Å; S351-S354 CarbonylContact O-C 3.59Å; S351-S354 PolarHBondContact O-N 2.84Å; S351-D355 VanDerWaalsContact O-CB 3.29Å; S351-D355 WeakPolarHBondContact O-CB 3.4Å; S351-D355 PolarHBondContact O-N 3.11Å |
| 352 | S | 83.5 | Confident | 87.2 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 62% | 0.622 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -34.4 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 113.4 | D348 K349 | D348-S352 VanDerWaalsContact O-CB 3.25Å; D348-S352 WeakPolarHBondContact O-CB 3.29Å; D348-S352 PolarHBondContact O-N 3.06Å; K349-S352 PolarHBondContact O-N 2.76Å |
| 353 | M | 76.9 | Confident | 87 | Confident | 177 Ų | 177 | 100.7 Ų | 100.7 | 87% | 0.872 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -82.2 | -27 | 179.2 | -163.2 | 159.8 | 96.7 | 0 | 0 | 112.1 | K349 G350 S351 | K349-M353 VanDerWaalsContact O-CB 3.23Å; K349-M353 WeakPolarHBondContact O-CB 3.23Å; K349-M353 PolarHBondContact O-N 3.48Å; G350-M353 PolarHBondContact O-N 3.48Å; S351-M353 VanDerWaalsContact C-N 3.34Å; S351-M353 PolarHBondContact O-N 3.41Å |
| 354 | S | 79.9 | Confident | 86.8 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -84 | -17 | 172.4 | -154.5 | 0 | 0 | 0 | 0 | 112.6 | G350 S351 G356 | G350-S354 WeakPolarHBondContact O-CB 3.18Å; G350-S354 PolarHBondContact O-N 3.12Å; S351-S354 CarbonylContact O-C 3.59Å; S351-S354 PolarHBondContact O-N 2.84Å; S354-G356 VanDerWaalsContact C-N 3.31Å; S354-G356 PolarHBondContact O-N 3.38Å |
| 355 | D | 77.9 | Confident | 86.6 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 47% | 0.465 | 56% | 0.557 | S | S | . | * | trans | -67.9 | 90.7 | 172.6 | -173.6 | 15 | 0 | 0 | 0 | 109.9 | S351 A357 P358 | S351-D355 VanDerWaalsContact O-CB 3.29Å; S351-D355 WeakPolarHBondContact O-CB 3.4Å; S351-D355 PolarHBondContact O-N 3.11Å; D355-A357 PolarHBondContact O-N 3.42Å; D355-A357 WeakPolarHBondContact OD1-CB 3.45Å; D355-A357 PolarHBondContact OD1-N 2.97Å; D355-P358 WeakPolarHBondContact O-CD 3.45Å | ||
| 356 | G | 81.6 | Confident | 86.5 | Confident | 35 Ų | 35 | 100.6 Ų | 100.6 | 36% | 0.361 | 56% | 0.562 | S | S | . | * | trans | -73.8 | -3.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | S354 P358 V359 V360 | S354-G356 VanDerWaalsContact C-N 3.31Å; S354-G356 PolarHBondContact O-N 3.38Å; G356-P358 VanDerWaalsContact C-CD 3.46Å; G356-V359 WeakPolarHBondContact O-CB 3.48Å; G356-V359 PolarHBondContact O-N 2.88Å; G356-V359 VanDerWaalsContact O-N 3.07Å; G356-V360 WeakPolarHBondContact O-CG2 3.24Å; G356-V360 PolarHBondContact O-N 3.35Å | ||
| 357 | A | 80.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 97 Ų | 97 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.1 | -40.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D355 V359 V360 K361 | D355-A357 PolarHBondContact O-N 3.42Å; D355-A357 WeakPolarHBondContact OD1-CB 3.45Å; D355-A357 PolarHBondContact OD1-N 2.97Å; A357-V359 VanDerWaalsContact C-N 3.35Å; A357-V359 PolarHBondContact O-N 3.03Å; A357-V360 PolarHBondContact O-N 2.7Å; A357-K361 VanDerWaalsContact O-CB 3.31Å; A357-K361 WeakPolarHBondContact O-CB 3.43Å; A357-K361 PolarHBondContact O-N 3.07Å |
| 358 | P | 82.1 | Confident | 86.7 | Confident | 71 Ų | 71 | 96.7 Ų | 96.7 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 173.8 | -21.6 | 33.7 | 0 | 0 | 0 | 112 | D355 G356 K361 I362 | D355-P358 WeakPolarHBondContact O-CD 3.45Å; G356-P358 VanDerWaalsContact C-CD 3.46Å; P358-K361 PolarHBondContact O-N 3Å; P358-I362 VanDerWaalsContact O-CG1 3.3Å; P358-I362 WeakPolarHBondContact O-CG1 3.43Å; P358-I362 PolarHBondContact O-N 3.22Å |
| 359 | V | 84.1 | Confident | 86.9 | Confident | 100 Ų | 100 | 97.7 Ų | 97.7 | 61% | 0.606 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | G356 A357 K361 I362 K363 | G356-V359 WeakPolarHBondContact O-CB 3.48Å; G356-V359 PolarHBondContact O-N 2.88Å; G356-V359 VanDerWaalsContact O-N 3.07Å; A357-V359 VanDerWaalsContact C-N 3.35Å; A357-V359 PolarHBondContact O-N 3.03Å; V359-K361 VanDerWaalsContact C-N 3.34Å; V359-I362 PolarHBondContact O-N 2.84Å; V359-K363 WeakPolarHBondContact O-CB 3.25Å; V359-K363 PolarHBondContact O-N 3.4Å |
| 360 | V | 86.8 | Confident | 87.2 | Confident | 77 Ų | 77 | 97.1 Ų | 97.1 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | G356 A357 K363 Q364 | G356-V360 WeakPolarHBondContact O-CG2 3.24Å; G356-V360 PolarHBondContact O-N 3.35Å; A357-V360 PolarHBondContact O-N 2.7Å; V360-K363 PolarHBondContact O-N 3.03Å; V360-Q364 HydrophobicContact CG1-CG 4.41Å; V360-Q364 WeakPolarHBondContact O-CB 3.34Å; V360-Q364 WeakPolarHBondContact O-CG 3.49Å; V360-Q364 PolarHBondContact O-N 2.89Å |
| 361 | K | 88.7 | Confident | 87.5 | Confident | 147 Ų | 147 | 101.5 Ų | 101.5 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.4 | -39.9 | 177.4 | -164.1 | 173.5 | -174.2 | 177 | 0 | 112.1 | A357 P358 V359 Q364 S365 | A357-K361 VanDerWaalsContact O-CB 3.31Å; A357-K361 WeakPolarHBondContact O-CB 3.43Å; A357-K361 PolarHBondContact O-N 3.07Å; P358-K361 PolarHBondContact O-N 3Å; V359-K361 VanDerWaalsContact C-N 3.34Å; K361-Q364 PolarHBondContact O-N 3.21Å; K361-S365 WeakPolarHBondContact O-CB 3.45Å; K361-S365 PolarHBondContact O-N 3.3Å; K361-S365 PolarHBondContact O-OG 2.85Å |
| 362 | I | 89.7 | Confident | 87.9 | Confident | 117 Ų | 117 | 102.5 Ų | 102.5 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.1 | -47.1 | 171.5 | -68.3 | 165.8 | 0 | 0 | 0 | 110 | P358 V359 Q364 S365 L366 | P358-I362 VanDerWaalsContact O-CG1 3.3Å; P358-I362 WeakPolarHBondContact O-CG1 3.43Å; P358-I362 PolarHBondContact O-N 3.22Å; V359-I362 PolarHBondContact O-N 2.84Å; I362-Q364 PolarHBondContact O-N 2.94Å; I362-S365 PolarHBondContact O-N 3.24Å; I362-L366 WeakPolarHBondContact O-CB 3.28Å; I362-L366 PolarHBondContact O-N 2.88Å |
| 363 | K | 91.6 | Very high | 88.4 | Confident | 147 Ų | 147 | 101.8 Ų | 101.8 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 178.3 | -173.3 | -179.4 | 177.6 | -178.4 | 0 | 112.1 | V359 V360 L366 T367 | V359-K363 WeakPolarHBondContact O-CB 3.25Å; V359-K363 PolarHBondContact O-N 3.4Å; V360-K363 PolarHBondContact O-N 3.03Å; K363-L366 PolarHBondContact O-N 3.33Å; K363-T367 PolarHBondContact O-N 3.43Å; K363-T367 PolarHBondContact O-OG1 3.39Å; K363-T367 VanDerWaalsContact O-OG1 3.07Å |
| 364 | Q | 91.4 | Very high | 89.2 | Confident | 128 Ų | 128 | 97.6 Ų | 97.6 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 175.3 | -75.4 | 176.1 | -4.7 | 0 | 0 | 111.7 | V360 K361 I362 L366 T367 K368 | V360-Q364 HydrophobicContact CG1-CG 4.41Å; V360-Q364 WeakPolarHBondContact O-CB 3.34Å; V360-Q364 WeakPolarHBondContact O-CG 3.49Å; V360-Q364 PolarHBondContact O-N 2.89Å; K361-Q364 PolarHBondContact O-N 3.21Å; I362-Q364 PolarHBondContact O-N 2.94Å; Q364-L366 VanDerWaalsContact C-N 3.32Å; Q364-L366 PolarHBondContact O-N 3.28Å; Q364-T367 PolarHBondContact O-N 2.81Å; Q364-K368 PolarHBondContact O-N 2.89Å |
| 365 | S | 92.2 | Very high | 89.9 | Confident | 71 Ų | 71 | 97.4 Ų | 97.4 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | K361 I362 K368 L369 | K361-S365 WeakPolarHBondContact O-CB 3.45Å; K361-S365 PolarHBondContact O-N 3.3Å; K361-S365 PolarHBondContact O-OG 2.85Å; I362-S365 PolarHBondContact O-N 3.24Å; S365-K368 PolarHBondContact O-N 3.42Å; S365-L369 PolarHBondContact O-N 3.39Å |
| 366 | L | 93 | Very high | 90.7 | Very high | 93 Ų | 93 | 98.9 Ų | 98.9 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.1 | -174.1 | 69.6 | 0 | 0 | 0 | 112 | I362 K363 Q364 K368 L369 K370 | I362-L366 WeakPolarHBondContact O-CB 3.28Å; I362-L366 PolarHBondContact O-N 2.88Å; K363-L366 PolarHBondContact O-N 3.33Å; Q364-L366 VanDerWaalsContact C-N 3.32Å; Q364-L366 PolarHBondContact O-N 3.28Å; L366-K368 VanDerWaalsContact C-N 3.34Å; L366-L369 PolarHBondContact O-N 3Å; L366-K370 WeakPolarHBondContact O-CG 3.46Å; L366-K370 PolarHBondContact O-N 3.07Å |
| 367 | T | 93.4 | Very high | 91.2 | Very high | 68 Ų | 68 | 101.8 Ų | 101.8 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | K363 Q364 K370 Q371 | K363-T367 PolarHBondContact O-N 3.43Å; K363-T367 PolarHBondContact O-OG1 3.39Å; K363-T367 VanDerWaalsContact O-OG1 3.07Å; Q364-T367 PolarHBondContact O-N 2.81Å; T367-K370 PolarHBondContact O-N 3.28Å; T367-Q371 WeakPolarHBondContact O-CG 3.46Å; T367-Q371 PolarHBondContact O-N 2.73Å |
| 368 | K | 94.8 | Very high | 91.8 | Very high | 124 Ų | 124 | 103.6 Ų | 103.6 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.5 | -172.5 | -179.7 | 177.1 | -174.7 | 0 | 111.3 | Q364 S365 L366 K370 Q371 E372 | Q364-K368 PolarHBondContact O-N 2.89Å; S365-K368 PolarHBondContact O-N 3.42Å; L366-K368 VanDerWaalsContact C-N 3.34Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.45Å; K368-Q371 WeakPolarHBondContact O-CB 3.35Å; K368-Q371 PolarHBondContact O-N 2.89Å; K368-Q371 VanDerWaalsContact O-N 3.13Å; K368-E372 WeakPolarHBondContact CE-OE1 3.44Å; K368-E372 PolarHBondContact O-N 3.4Å |
| 369 | L | 94.6 | Very high | 92.3 | Very high | 106 Ų | 106 | 107.4 Ų | 107.4 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 176.5 | -153.1 | 104.8 | 0 | 0 | 0 | 111.4 | S365 L366 Q371 E372 V373 | S365-L369 PolarHBondContact O-N 3.39Å; L366-L369 PolarHBondContact O-N 3Å; L369-Q371 VanDerWaalsContact C-N 3.35Å; L369-Q371 PolarHBondContact O-N 3.41Å; L369-E372 PolarHBondContact O-N 2.93Å; L369-V373 WeakPolarHBondContact O-CG2 3.31Å; L369-V373 PolarHBondContact O-N 2.81Å |
| 370 | K | 93.9 | Very high | 92.7 | Very high | 136 Ų | 136 | 106.4 Ų | 106.4 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 174.4 | -75.3 | -177 | 177.4 | -172.1 | 0 | 112.7 | L366 T367 K368 V373 V374 | L366-K370 WeakPolarHBondContact O-CG 3.46Å; L366-K370 PolarHBondContact O-N 3.07Å; T367-K370 PolarHBondContact O-N 3.28Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.45Å; K370-V373 PolarHBondContact O-N 2.97Å; K370-V374 WeakPolarHBondContact O-CG2 3.46Å; K370-V374 PolarHBondContact O-N 2.84Å |
| 371 | Q | 93.9 | Very high | 93 | Very high | 130 Ų | 130 | 104.3 Ų | 104.3 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -41.4 | 175.4 | -73.2 | 174.9 | -14.6 | 0 | 0 | 111.8 | T367 K368 L369 V373 V374 Q375 | T367-Q371 WeakPolarHBondContact O-CG 3.46Å; T367-Q371 PolarHBondContact O-N 2.73Å; K368-Q371 WeakPolarHBondContact O-CB 3.35Å; K368-Q371 PolarHBondContact O-N 2.89Å; K368-Q371 VanDerWaalsContact O-N 3.13Å; L369-Q371 VanDerWaalsContact C-N 3.35Å; L369-Q371 PolarHBondContact O-N 3.41Å; Q371-V373 VanDerWaalsContact C-N 3.35Å; Q371-V374 PolarHBondContact O-N 3.26Å; Q371-Q375 WeakPolarHBondContact O-CB 3.14Å; Q371-Q375 PolarHBondContact O-N 2.89Å |
| 372 | E | 95.1 | Very high | 93.2 | Very high | 90 Ų | 90 | 101.5 Ų | 101.5 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 174.8 | -77.5 | 176.8 | -171 | 0 | 0 | 111.8 | K368 L369 Q375 M376 | K368-E372 WeakPolarHBondContact CE-OE1 3.44Å; K368-E372 PolarHBondContact O-N 3.4Å; L369-E372 PolarHBondContact O-N 2.93Å; E372-Q375 PolarHBondContact O-N 2.97Å; E372-M376 PolarHBondContact O-N 3.31Å |
| 373 | V | 93.9 | Very high | 93.3 | Very high | 74 Ų | 74 | 100.6 Ų | 100.6 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 174 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L369 K370 Q371 Q375 M376 D377 | L369-V373 WeakPolarHBondContact O-CG2 3.31Å; L369-V373 PolarHBondContact O-N 2.81Å; K370-V373 PolarHBondContact O-N 2.97Å; Q371-V373 VanDerWaalsContact C-N 3.35Å; V373-Q375 VanDerWaalsContact C-N 3.27Å; V373-Q375 PolarHBondContact O-N 3.24Å; V373-M376 PolarHBondContact O-N 2.95Å; V373-M376 VanDerWaalsContact O-N 3.1Å; V373-D377 PolarHBondContact O-N 3.25Å |
| 374 | V | 94.4 | Very high | 93.2 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | K370 Q371 D377 V378 | K370-V374 WeakPolarHBondContact O-CG2 3.46Å; K370-V374 PolarHBondContact O-N 2.84Å; Q371-V374 PolarHBondContact O-N 3.26Å; V374-D377 PolarHBondContact O-N 3.34Å; V374-V378 WeakPolarHBondContact O-CG2 3.39Å; V374-V378 PolarHBondContact O-N 3.16Å |
| 375 | Q | 94.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 176.2 | -169.1 | -177.3 | 27.1 | 0 | 0 | 111.7 | Q371 E372 V373 V378 R379 | Q371-Q375 WeakPolarHBondContact O-CB 3.14Å; Q371-Q375 PolarHBondContact O-N 2.89Å; E372-Q375 PolarHBondContact O-N 2.97Å; V373-Q375 VanDerWaalsContact C-N 3.27Å; V373-Q375 PolarHBondContact O-N 3.24Å; Q375-V378 PolarHBondContact O-N 3.43Å; Q375-R379 VanDerWaalsContact NE2-NH2 3.11Å; Q375-R379 WeakPolarHBondContact O-CG 3.4Å; Q375-R379 PolarHBondContact O-N 2.76Å |
| 376 | M | 93.5 | Very high | 93 | Very high | 118 Ų | 118 | 99 Ų | 99 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 173.9 | -81.1 | -177.8 | 70.2 | 0 | 0 | 111.5 | E372 V373 V378 R379 I380 | E372-M376 PolarHBondContact O-N 3.31Å; V373-M376 PolarHBondContact O-N 2.95Å; V373-M376 VanDerWaalsContact O-N 3.1Å; M376-V378 PolarHBondContact O-N 2.94Å; M376-R379 WeakPolarHBondContact O-CB 3.4Å; M376-R379 PolarHBondContact O-N 3.02Å; M376-R379 VanDerWaalsContact O-N 3.15Å; M376-I380 VanDerWaalsContact O-CG1 3.27Å; M376-I380 WeakPolarHBondContact O-CG1 3.43Å; M376-I380 PolarHBondContact O-N 3.08Å |
| 377 | D | 93.5 | Very high | 92.8 | Very high | 96 Ų | 96 | 99.6 Ų | 99.6 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 177 | -70.9 | -22.7 | 0 | 0 | 0 | 111.9 | V373 V374 R379 I380 G381 | V373-D377 PolarHBondContact O-N 3.25Å; V374-D377 PolarHBondContact O-N 3.34Å; D377-R379 PolarHBondContact O-N 2.88Å; D377-I380 PolarHBondContact O-N 2.74Å; D377-G381 PolarHBondContact O-N 2.81Å |
| 378 | V | 92.4 | Very high | 92.6 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 111 | V374 Q375 M376 G381 V382 | V374-V378 WeakPolarHBondContact O-CG2 3.39Å; V374-V378 PolarHBondContact O-N 3.16Å; Q375-V378 PolarHBondContact O-N 3.43Å; M376-V378 PolarHBondContact O-N 2.94Å; V378-G381 PolarHBondContact O-N 3.25Å; V378-V382 WeakPolarHBondContact O-CG2 3.23Å; V378-V382 PolarHBondContact O-N 2.95Å |
| 379 | R | 91.9 | Very high | 92.2 | Very high | 152 Ų | 152 | 100 Ų | 100 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 176.9 | -72.6 | 176.9 | -173.7 | -173.9 | 6.6 | 111.4 | Q375 M376 D377 V382 V383 | Q375-R379 VanDerWaalsContact NE2-NH2 3.11Å; Q375-R379 WeakPolarHBondContact O-CG 3.4Å; Q375-R379 PolarHBondContact O-N 2.76Å; M376-R379 WeakPolarHBondContact O-CB 3.4Å; M376-R379 PolarHBondContact O-N 3.02Å; M376-R379 VanDerWaalsContact O-N 3.15Å; D377-R379 PolarHBondContact O-N 2.88Å; R379-V382 PolarHBondContact O-N 2.83Å; R379-V383 VanDerWaalsContact O-CG2 3.28Å; R379-V383 WeakPolarHBondContact O-CG2 3.49Å; R379-V383 PolarHBondContact O-N 2.92Å |
| 380 | I | 92.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 175 | -69.5 | 163.9 | 0 | 0 | 0 | 109.5 | M376 D377 V382 V383 E384 | M376-I380 VanDerWaalsContact O-CG1 3.27Å; M376-I380 WeakPolarHBondContact O-CG1 3.43Å; M376-I380 PolarHBondContact O-N 3.08Å; D377-I380 PolarHBondContact O-N 2.74Å; I380-V382 VanDerWaalsContact C-N 3.34Å; I380-V382 PolarHBondContact O-N 3.35Å; I380-V383 CarbonylContact O-C 3.6Å; I380-V383 PolarHBondContact O-N 3.37Å; I380-V383 VanDerWaalsContact O-N 3.11Å; I380-E384 HydrophobicContact CG2-CG 4.19Å; I380-E384 WeakPolarHBondContact O-CB 3.49Å; I380-E384 WeakPolarHBondContact O-CG 3.37Å; I380-E384 PolarHBondContact O-N 3.43Å |
| 381 | G | 93.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 97.4 Ų | 97.4 | 33% | 0.33 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D377 V378 H385 | D377-G381 PolarHBondContact O-N 2.81Å; V378-G381 PolarHBondContact O-N 3.25Å; G381-H385 WeakPolarHBondContact O-CB 3.46Å; G381-H385 PolarHBondContact O-N 2.94Å |
| 382 | V | 92.8 | Very high | 90.8 | Very high | 88 Ų | 88 | 96.6 Ų | 96.6 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 174 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | V378 R379 I380 H385 T386 | V378-V382 WeakPolarHBondContact O-CG2 3.23Å; V378-V382 PolarHBondContact O-N 2.95Å; R379-V382 PolarHBondContact O-N 2.83Å; I380-V382 VanDerWaalsContact C-N 3.34Å; I380-V382 PolarHBondContact O-N 3.35Å; V382-H385 PolarHBondContact O-N 2.79Å; V382-T386 WeakPolarHBondContact O-CB 3.23Å; V382-T386 PolarHBondContact O-N 3.16Å; V382-T386 PolarHBondContact O-OG1 3.42Å |
| 383 | V | 91.4 | Very high | 90.1 | Very high | 98 Ų | 98 | 98.4 Ų | 98.4 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | R379 I380 T386 L387 | R379-V383 VanDerWaalsContact O-CG2 3.28Å; R379-V383 WeakPolarHBondContact O-CG2 3.49Å; R379-V383 PolarHBondContact O-N 2.92Å; I380-V383 CarbonylContact O-C 3.6Å; I380-V383 PolarHBondContact O-N 3.37Å; I380-V383 VanDerWaalsContact O-N 3.11Å; V383-T386 PolarHBondContact O-N 2.93Å; V383-L387 VanDerWaalsContact O-CB 3.31Å; V383-L387 WeakPolarHBondContact O-CB 3.27Å; V383-L387 PolarHBondContact O-N 3.15Å |
| 384 | E | 89.8 | Confident | 89.4 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.2 | -74.4 | -179.8 | 165.7 | 0 | 0 | 111.8 | I380 L387 L388 | I380-E384 HydrophobicContact CG2-CG 4.19Å; I380-E384 WeakPolarHBondContact O-CB 3.49Å; I380-E384 WeakPolarHBondContact O-CG 3.37Å; I380-E384 PolarHBondContact O-N 3.43Å; E384-L387 PolarHBondContact O-N 2.6Å; E384-L388 WeakPolarHBondContact O-CB 3.38Å; E384-L388 PolarHBondContact O-N 2.76Å |
| 385 | H | 90.8 | Very high | 88.6 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 175.9 | -176.7 | 74.9 | 0 | 0 | 0 | 111.7 | G381 V382 L387 L388 Q389 | G381-H385 WeakPolarHBondContact O-CB 3.46Å; G381-H385 PolarHBondContact O-N 2.94Å; V382-H385 PolarHBondContact O-N 2.79Å; H385-L387 VanDerWaalsContact C-N 3.34Å; H385-L387 PolarHBondContact O-N 3.28Å; H385-L388 PolarHBondContact O-N 3.15Å; H385-Q389 WeakPolarHBondContact O-CB 3.44Å; H385-Q389 PolarHBondContact O-N 2.85Å |
| 386 | T | 89.5 | Confident | 87.5 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | V382 V383 Q389 A390 | V382-T386 WeakPolarHBondContact O-CB 3.23Å; V382-T386 PolarHBondContact O-N 3.16Å; V382-T386 PolarHBondContact O-OG1 3.42Å; V383-T386 PolarHBondContact O-N 2.93Å; T386-Q389 PolarHBondContact O-N 3.42Å; T386-A390 WeakPolarHBondContact O-CB 3.23Å; T386-A390 PolarHBondContact O-N 3.19Å |
| 387 | L | 89.1 | Confident | 86.5 | Confident | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.6 | -170.7 | 88.6 | 0 | 0 | 0 | 111.4 | V383 E384 H385 A390 K391 | V383-L387 VanDerWaalsContact O-CB 3.31Å; V383-L387 WeakPolarHBondContact O-CB 3.27Å; V383-L387 PolarHBondContact O-N 3.15Å; E384-L387 PolarHBondContact O-N 2.6Å; H385-L387 VanDerWaalsContact C-N 3.34Å; H385-L387 PolarHBondContact O-N 3.28Å; L387-A390 PolarHBondContact O-N 2.83Å; L387-K391 WeakPolarHBondContact O-CG 3.4Å; L387-K391 PolarHBondContact O-N 3.39Å |
| 388 | L | 89.7 | Confident | 85.3 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.4 | -100.3 | 151.8 | 0 | 0 | 0 | 111.5 | E384 H385 A390 K391 L392 | E384-L388 WeakPolarHBondContact O-CB 3.38Å; E384-L388 PolarHBondContact O-N 2.76Å; H385-L388 PolarHBondContact O-N 3.15Å; L388-A390 VanDerWaalsContact C-N 3.35Å; L388-K391 PolarHBondContact O-N 3.48Å; L388-L392 WeakPolarHBondContact O-CB 3.41Å; L388-L392 WeakPolarHBondContact O-CG 3.36Å; L388-L392 PolarHBondContact O-N 2.86Å |
| 389 | Q | 86.4 | Confident | 83.9 | Confident | 95 Ų | 95 | 101.2 Ų | 101.2 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 177.4 | -164 | -178.2 | 42.9 | 0 | 0 | 111.5 | H385 T386 L392 K393 | H385-Q389 WeakPolarHBondContact O-CB 3.44Å; H385-Q389 PolarHBondContact O-N 2.85Å; T386-Q389 PolarHBondContact O-N 3.42Å; Q389-L392 PolarHBondContact O-N 2.88Å; Q389-K393 WeakPolarHBondContact O-CB 3.26Å; Q389-K393 WeakPolarHBondContact O-CG 3.45Å; Q389-K393 PolarHBondContact O-N 3.37Å |
| 390 | A | 84.9 | Confident | 82.5 | Confident | 55 Ų | 55 | 102.8 Ų | 102.8 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T386 L387 L388 L392 K393 E394 | T386-A390 WeakPolarHBondContact O-CB 3.23Å; T386-A390 PolarHBondContact O-N 3.19Å; L387-A390 PolarHBondContact O-N 2.83Å; L388-A390 VanDerWaalsContact C-N 3.35Å; A390-L392 PolarHBondContact O-N 3.37Å; A390-K393 PolarHBondContact O-N 3.24Å; A390-E394 WeakPolarHBondContact O-CB 3.42Å; A390-E394 PolarHBondContact O-N 2.82Å |
| 391 | K | 84.3 | Confident | 80.9 | Confident | 134 Ų | 134 | 104.1 Ų | 104.1 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | 175.5 | -76.4 | -163.2 | 174.1 | -171.6 | 0 | 113.1 | L387 L388 E394 K395 | L387-K391 WeakPolarHBondContact O-CG 3.4Å; L387-K391 PolarHBondContact O-N 3.39Å; L388-K391 PolarHBondContact O-N 3.48Å; K391-E394 PolarHBondContact O-N 3.47Å; K391-K395 WeakPolarHBondContact O-CB 3.5Å; K391-K395 PolarHBondContact O-N 3.36Å |
| 392 | L | 83.5 | Confident | 79.2 | Confident | 112 Ų | 112 | 108.6 Ų | 108.6 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.5 | -40 | 175.4 | -76.1 | 170 | 0 | 0 | 0 | 111.7 | L388 Q389 A390 K395 S396 | L388-L392 WeakPolarHBondContact O-CB 3.41Å; L388-L392 WeakPolarHBondContact O-CG 3.36Å; L388-L392 PolarHBondContact O-N 2.86Å; Q389-L392 PolarHBondContact O-N 2.88Å; A390-L392 PolarHBondContact O-N 3.37Å; L392-K395 PolarHBondContact O-N 2.86Å; L392-S396 WeakPolarHBondContact O-CB 3.41Å; L392-S396 PolarHBondContact O-N 3.23Å |
| 393 | K | 80.6 | Confident | 77.4 | Confident | 128 Ų | 128 | 111 Ų | 111 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | 172.6 | -79.5 | 179.5 | 177.6 | 178 | 0 | 111.7 | Q389 A390 S396 N397 | Q389-K393 WeakPolarHBondContact O-CB 3.26Å; Q389-K393 WeakPolarHBondContact O-CG 3.45Å; Q389-K393 PolarHBondContact O-N 3.37Å; A390-K393 PolarHBondContact O-N 3.24Å; K393-S396 PolarHBondContact O-N 3.25Å; K393-N397 WeakPolarHBondContact O-CB 3.46Å; K393-N397 VanDerWaalsContact O-CG 3.24Å; K393-N397 PolarHBondContact O-N 3.32Å; K393-N397 PolarHBondContact O-OD1 3.35Å |
| 394 | E | 79.4 | Confident | 75.7 | Confident | 128 Ų | 128 | 110.1 Ų | 110.1 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.5 | -46.7 | 175.1 | -174.3 | 179.4 | -162.6 | 0 | 0 | 111.2 | A390 K391 S396 N397 M398 | A390-E394 WeakPolarHBondContact O-CB 3.42Å; A390-E394 PolarHBondContact O-N 2.82Å; K391-E394 PolarHBondContact O-N 3.47Å; E394-S396 PolarHBondContact O-N 2.93Å; E394-N397 PolarHBondContact O-N 2.92Å; E394-M398 PolarHBondContact O-N 3.43Å |
| 395 | K | 76.9 | Confident | 73.9 | Confident | 143 Ų | 143 | 109.6 Ų | 109.6 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.2 | -43 | 175.2 | -169.2 | 175.5 | -178.7 | 177.7 | 0 | 112.1 | K391 L392 N397 M398 T399 | K391-K395 WeakPolarHBondContact O-CB 3.5Å; K391-K395 PolarHBondContact O-N 3.36Å; L392-K395 PolarHBondContact O-N 2.86Å; K395-N397 VanDerWaalsContact C-N 3.34Å; K395-M398 WeakPolarHBondContact O-CB 3.45Å; K395-M398 PolarHBondContact O-N 2.94Å; K395-T399 PolarHBondContact O-N 3.23Å; K395-T399 PolarHBondContact O-OG1 3.37Å |
| 396 | S | 71.7 | Confident | 71.6 | Confident | 66 Ų | 66 | 110.1 Ų | 110.1 | 46% | 0.462 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -37.7 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | L392 K393 E394 T399 R400 | L392-S396 WeakPolarHBondContact O-CB 3.41Å; L392-S396 PolarHBondContact O-N 3.23Å; K393-S396 PolarHBondContact O-N 3.25Å; E394-S396 PolarHBondContact O-N 2.93Å; S396-T399 PolarHBondContact O-N 3.19Å; S396-R400 PolarHBondContact O-N 3.3Å |
| 397 | N | 71.9 | Confident | 69.2 | Low | 91 Ų | 91 | 113.2 Ų | 113.2 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.6 | -43.3 | 174.8 | -74.3 | -6.4 | 0 | 0 | 0 | 110.5 | K393 E394 K395 T399 R400 D401 | K393-N397 WeakPolarHBondContact O-CB 3.46Å; K393-N397 VanDerWaalsContact O-CG 3.24Å; K393-N397 PolarHBondContact O-N 3.32Å; K393-N397 PolarHBondContact O-OD1 3.35Å; E394-N397 PolarHBondContact O-N 2.92Å; K395-N397 VanDerWaalsContact C-N 3.34Å; N397-T399 VanDerWaalsContact C-N 3.32Å; N397-T399 PolarHBondContact O-N 2.96Å; N397-R400 WeakPolarHBondContact O-CB 3.32Å; N397-R400 PolarHBondContact O-N 3Å; N397-R400 VanDerWaalsContact O-N 3.12Å; N397-D401 PolarHBondContact O-N 3.48Å |
| 398 | M | 69.2 | Low | 67.1 | Low | 133 Ų | 133 | 113.8 Ų | 113.8 | 66% | 0.655 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -55 | -44.9 | 171 | -107.4 | 174.6 | 63.2 | 0 | 0 | 112.2 | E394 K395 D401 M402 | E394-M398 PolarHBondContact O-N 3.43Å; K395-M398 WeakPolarHBondContact O-CB 3.45Å; K395-M398 PolarHBondContact O-N 2.94Å; M398-D401 PolarHBondContact O-N 3.08Å; M398-M402 WeakPolarHBondContact O-CB 3.39Å; M398-M402 PolarHBondContact O-N 3.22Å |
| 399 | T | 62.9 | Low | 64.5 | Low | 69 Ų | 69 | 116.8 Ų | 116.8 | 42% | 0.423 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.3 | -34.4 | 177.6 | -34.8 | 0 | 0 | 0 | 0 | 112.3 | K395 S396 N397 H403 | K395-T399 PolarHBondContact O-N 3.23Å; K395-T399 PolarHBondContact O-OG1 3.37Å; S396-T399 PolarHBondContact O-N 3.19Å; N397-T399 VanDerWaalsContact C-N 3.32Å; N397-T399 PolarHBondContact O-N 2.96Å; T399-H403 PolarHBondContact O-CD2 3.31Å; T399-H403 PolarHBondContact O-N 3.03Å; T399-H403 VanDerWaalsContact O-N 3.09Å |
| 400 | R | 61 | Low | 62 | Low | 184 Ų | 184 | 117.1 Ų | 117.1 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.2 | -44.1 | 173 | -99.4 | 176 | 64.9 | 123.8 | -2.3 | 111.8 | S396 N397 M402 H403 A404 | S396-R400 PolarHBondContact O-N 3.3Å; N397-R400 WeakPolarHBondContact O-CB 3.32Å; N397-R400 PolarHBondContact O-N 3Å; N397-R400 VanDerWaalsContact O-N 3.12Å; R400-M402 VanDerWaalsContact C-N 3.3Å; R400-M402 PolarHBondContact O-N 3.09Å; R400-H403 PolarHBondContact O-N 2.69Å; R400-H403 VanDerWaalsContact O-N 3.17Å; R400-A404 PolarHBondContact O-N 3.01Å |
| 401 | D | 59.6 | Low | 59.7 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 58% | 0.578 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.1 | -35.9 | 177.8 | -71.8 | -16.5 | 0 | 0 | 0 | 111 | N397 M398 H403 A404 T405 | N397-D401 PolarHBondContact O-N 3.48Å; M398-D401 PolarHBondContact O-N 3.08Å; D401-H403 VanDerWaalsContact C-N 3.32Å; D401-H403 PolarHBondContact O-N 3.07Å; D401-A404 PolarHBondContact O-N 2.86Å; D401-T405 PolarHBondContact O-N 3.4Å; D401-T405 PolarHBondContact O-OG1 3.08Å |
| 402 | M | 57.3 | Low | 57.6 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 62% | 0.616 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.7 | -29.9 | 173.5 | -144.2 | -174.8 | 76.7 | 0 | 0 | 113.1 | M398 R400 T405 | M398-M402 WeakPolarHBondContact O-CB 3.39Å; M398-M402 PolarHBondContact O-N 3.22Å; R400-M402 VanDerWaalsContact C-N 3.3Å; R400-M402 PolarHBondContact O-N 3.09Å; M402-T405 PolarHBondContact O-OG1 2.81Å |
| 403 | H | 55.3 | Low | 55.4 | Low | 140 Ų | 140 | 115.3 Ų | 115.3 | 65% | 0.648 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79 | -25.1 | 172.1 | -92.4 | -67.3 | 0 | 0 | 0 | 113.2 | T399 R400 D401 T405 | T399-H403 PolarHBondContact O-CD2 3.31Å; T399-H403 PolarHBondContact O-N 3.03Å; T399-H403 VanDerWaalsContact O-N 3.09Å; R400-H403 PolarHBondContact O-N 2.69Å; R400-H403 VanDerWaalsContact O-N 3.17Å; D401-H403 VanDerWaalsContact C-N 3.32Å; D401-H403 PolarHBondContact O-N 3.07Å; H403-T405 VanDerWaalsContact C-N 3.34Å |
| 404 | A | 55.8 | Low | 53.4 | Low | 78 Ų | 78 | 114.7 Ų | 114.7 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.9 | -21.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R400 D401 | R400-A404 PolarHBondContact O-N 3.01Å; D401-A404 PolarHBondContact O-N 2.86Å |
| 405 | T | 51.8 | Low | 51.7 | Low | 105 Ų | 105 | 117.6 Ų | 117.6 | 64% | 0.644 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -3 | 179 | 42.6 | 0 | 0 | 0 | 0 | 115.5 | D401 M402 H403 | D401-T405 PolarHBondContact O-N 3.4Å; D401-T405 PolarHBondContact O-OG1 3.08Å; M402-T405 PolarHBondContact O-OG1 2.81Å; H403-T405 VanDerWaalsContact C-N 3.34Å |
| 406 | N | 43.4 | Very low | 50.1 | Low | 132 Ų | 132 | 120.6 Ų | 120.6 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -117.9 | 46 | -173.3 | -87 | -21 | 0 | 0 | 0 | 114.2 | ||
| 407 | I | 39.3 | Very low | 49 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | trans | -135.5 | 117.9 | 163 | -55.3 | 178.7 | 0 | 0 | 0 | 107.7 | ||||
| 408 | P | 45.1 | Very low | 47.8 | Very low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | -84.6 | 144.3 | 177.2 | 34.1 | -29.2 | 0 | 0 | 0 | 109.6 | ||||
| 409 | D | 33.5 | Very low | 46.6 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | trans | -147.8 | 139.1 | 158.3 | -118.7 | -23 | 0 | 0 | 0 | 114.9 | ||||
| 410 | S | 34.3 | Very low | 45.6 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -95.1 | 140.5 | -174.6 | 166.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 411 | A | 37.8 | Very low | 44.7 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | 63.9 | 116.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 412 | A | 38.6 | Very low | 43.7 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | 94.5 | 124.7 | 119.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 413 | G | 37.2 | Very low | 42.7 | Very low | 72 Ų | 72 | 125.4 Ų | 125.4 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 84.1 | 154.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 414 | T | 38.7 | Very low | 41.7 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | -176.9 | 149.5 | -19.2 | -13.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 415 | F | 43.6 | Very low | 40.5 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | 61.3 | 128.8 | 160.3 | -66.1 | -70.4 | 0 | 0 | 0 | 116.8 | ||||
| 416 | T | 43.1 | Very low | 39.5 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 100% | 1.264 | 81% | 0.811 | S | S | * | * | cis | -149.5 | 0 | 23.8 | 28.6 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 416 of 416 residues in 599.1 ms
(Link to these results)