| 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 | 41 | Very low | 39.7 | Very low | 226 Ų | 226 | 136.4 Ų | 136.4 | 100% | 1.113 | 85% | 0.853 | S | S | * | * | 0 | 166.1 | 0 | -71.1 | 101.6 | 79.9 | 0 | 0 | 109.6 | |||||
| 2 | N | 40.1 | Very low | 39.5 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | trans | 64.7 | 102.6 | 167.1 | -53.4 | -6.3 | 0 | 0 | 0 | 115.5 | ||||
| 3 | G | 39.5 | Very low | 39.5 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 84% | 0.843 | S | S | * | * | trans | -97.9 | 176.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 4 | P | 46.2 | Very low | 39.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | trans | -97.6 | 135.2 | -176.6 | 35 | -30 | 0 | 0 | 0 | 114.3 | ||||
| 5 | A | 37.4 | Very low | 40.1 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | 21 | 119.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 6 | L | 43.5 | Very low | 40 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -79.9 | 130.9 | 149.5 | -71.7 | 167 | 0 | 0 | 0 | 109.9 | ||||
| 7 | Q | 37.4 | Very low | 40.4 | Very low | 187 Ų | 187 | 127.7 Ų | 127.7 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -144.6 | 157.6 | 155.3 | -91.5 | -142.3 | -26.8 | 0 | 0 | 110.7 | ||||
| 8 | P | 40.6 | Very low | 40.6 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 71% | 0.708 | 82% | 0.821 | S | S | * | * | trans | -97.5 | 166 | -137.8 | 36.1 | -38 | 0 | 0 | 0 | 116.2 | S10 | P8-S10 PolarHBondContact O-N 3.31Š| ||
| 9 | S | 40.3 | Very low | 41.4 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -52.4 | 115.2 | 173.7 | -46.3 | 0 | 0 | 0 | 0 | 112.7 | A11 | S9-A11 PolarHBondContact O-N 3.19Š| ||
| 10 | S | 33.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -76.2 | 118.3 | 163.8 | -66.8 | 0 | 0 | 0 | 0 | 109 | P8 | P8-S10 PolarHBondContact O-N 3.31Š| ||
| 11 | A | 37.3 | Very low | 43.5 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -64.8 | 142.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S9 S13 | S9-A11 PolarHBondContact O-N 3.19Å; A11-S13 PolarHBondContact O-N 3.12Å; A11-S13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | S | 37.2 | Very low | 44.5 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -67.8 | 109.8 | 170.2 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 13 | S | 38.9 | Very low | 45.9 | Very low | 108 Ų | 108 | 111.6 Ų | 111.6 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 138.4 | 170.5 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | A11 | A11-S13 PolarHBondContact O-N 3.12Å; A11-S13 VanDerWaalsContact O-N 3.14Å |
| 14 | P | 45.3 | Very low | 47.6 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 150.3 | 173.4 | 27.7 | -34.5 | 0 | 0 | 0 | 110 | S16 | P14-S16 PolarHBondContact O-N 2.89Š|
| 15 | P | 42.3 | Very low | 49.1 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 127.5 | 177.2 | 24.9 | -33.6 | 0 | 0 | 0 | 109.6 | A17 | P15-A17 PolarHBondContact O-N 2.82Š|
| 16 | S | 39.2 | Very low | 50.9 | Low | 115 Ų | 115 | 119.8 Ų | 119.8 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 124 | 177.7 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | P14 S18 | P14-S16 PolarHBondContact O-N 2.89Å; S16-S18 PolarHBondContact O-N 2.89Å |
| 17 | A | 45.9 | Very low | 52.4 | Low | 93 Ų | 93 | 116 Ų | 116 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -65.3 | 106.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | P15 | P15-A17 PolarHBondContact O-N 2.82Š| ||
| 18 | S | 44.5 | Very low | 54.5 | Low | 102 Ų | 102 | 110.6 Ų | 110.6 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 127.4 | 173.4 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | S16 V20 | S16-S18 PolarHBondContact O-N 2.89Å; S18-V20 PolarHBondContact O-N 2.71Å; S18-V20 VanDerWaalsContact O-N 3.1Å |
| 19 | P | 56.5 | Low | 56.7 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 122.1 | -178.9 | 24.3 | -33 | 0 | 0 | 0 | 108.8 | ||
| 20 | V | 60.4 | Low | 58.8 | Low | 109 Ų | 109 | 106.7 Ų | 106.7 | 66% | 0.661 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 129.1 | 176.7 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | S18 A22 L32 | S18-V20 PolarHBondContact O-N 2.71Å; S18-V20 VanDerWaalsContact O-N 3.1Å; V20-A22 PolarHBondContact O-N 3.08Å; V20-L32 HydrophobicContact CG1-CD1 3.87Å |
| 21 | P | 65.2 | Low | 61.2 | Low | 89 Ų | 89 | 107 Ų | 107 | 58% | 0.578 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.9 | -176.7 | 23.2 | -33.7 | 0 | 0 | 0 | 109.9 | ||
| 22 | A | 63.1 | Low | 63.6 | Low | 85 Ų | 85 | 106.1 Ų | 106.1 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V20 R24 | V20-A22 PolarHBondContact O-N 3.08Å; A22-R24 PolarHBondContact O-N 3.13Å |
| 23 | P | 69.6 | Low | 66.1 | Low | 53 Ų | 53 | 105.2 Ų | 105.2 | 34% | 0.344 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 133.1 | -172.4 | 22.8 | -32.3 | 0 | 0 | 0 | 110.9 | G25 E28 F29 | P23-G25 PolarHBondContact O-N 2.62Å; P23-E28 HydrophobicContact CB-CB 3.92Å; P23-E28 HydrophobicContact CB-CG 3.98Å; P23-F29 HydrophobicContact CB-CB 3.99Å; P23-F29 HydrophobicContact CG-CB 3.81Å; P23-F29 HydrophobicContact CG-CD2 4.03Å; P23-F29 HydrophobicContact CG-CG 4.43Å |
| 24 | R | 75.8 | Confident | 68.4 | Low | 224 Ų | 224 | 102.9 Ų | 102.9 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -76.9 | 0.5 | -173.8 | -58.2 | 174.6 | -176.3 | -93.6 | 0.5 | 113.1 | A22 E28 | A22-R24 PolarHBondContact O-N 3.13Å; R24-E28 WeakPolarHBondContact CB-OE2 3.38Å; R24-E28 WeakPolarHBondContact CG-OE2 3.45Å; R24-E28 PolarHBondContact N-OE2 2.97Å |
| 25 | G | 77.1 | Confident | 70.5 | Confident | 38 Ų | 38 | 100.6 Ų | 100.6 | 39% | 0.392 | 59% | 0.59 | S | S | . | * | S | Bend | trans | 177 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P23 S27 E28 F29 | P23-G25 PolarHBondContact O-N 2.62Å; G25-S27 PolarHBondContact O-N 3.4Å; G25-E28 PolarHBondContact O-N 3.32Å; G25-F29 PolarHBondContact O-N 2.79Å; G25-F29 VanDerWaalsContact O-N 3.13Å |
| 26 | W | 75.8 | Confident | 72.8 | Confident | 210 Ų | 210 | 97 Ų | 97 | 80% | 0.795 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -55.5 | -33.8 | -178.7 | -72.7 | 107.9 | 0 | 0 | 0 | 114 | F29 C30 | W26-F29 HydrophobicContact CE3-CD1 4.28Å; W26-F29 HydrophobicContact CZ3-CD1 4.44Å; W26-F29 PolarHBondContact O-N 2.85Å; W26-C30 WeakPolarHBondContact O-CB 3.36Å; W26-C30 PolarHBondContact O-N 2.74Å; W26-C30 PolarHBondContact O-SG 2.82Å |
| 27 | S | 73.7 | Confident | 75.3 | Confident | 96 Ų | 96 | 93 Ų | 93 | 67% | 0.671 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -50.8 | 178.5 | -163.3 | 0 | 0 | 0 | 0 | 112 | G25 F29 C30 E31 | G25-S27 PolarHBondContact O-N 3.4Å; S27-F29 VanDerWaalsContact C-N 3.33Å; S27-F29 PolarHBondContact O-N 2.84Å; S27-C30 PolarHBondContact O-N 3.4Å; S27-E31 VanDerWaalsContact O-CB 3.29Å; S27-E31 WeakPolarHBondContact O-CB 3.42Å; S27-E31 PolarHBondContact O-N 2.79Å |
| 28 | E | 82.9 | Confident | 77.4 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 34% | 0.341 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -34.4 | -179.7 | -170.1 | 176.1 | -161.8 | 0 | 0 | 111.3 | P23 R24 G25 L32 | P23-E28 HydrophobicContact CB-CB 3.92Å; P23-E28 HydrophobicContact CB-CG 3.98Å; R24-E28 WeakPolarHBondContact CB-OE2 3.38Å; R24-E28 WeakPolarHBondContact CG-OE2 3.45Å; R24-E28 PolarHBondContact N-OE2 2.97Å; G25-E28 PolarHBondContact O-N 3.32Å; E28-L32 VanDerWaalsContact O-CB 3.23Å; E28-L32 WeakPolarHBondContact O-CB 3.23Å; E28-L32 PolarHBondContact O-N 2.67Å; E28-L32 VanDerWaalsContact O-N 3.1Å |
| 29 | F | 86.9 | Confident | 79.7 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -52.5 | 170.9 | 175.6 | -89.6 | 0 | 0 | 0 | 111.5 | P23 G25 W26 S27 H33 | P23-F29 HydrophobicContact CB-CB 3.99Å; P23-F29 HydrophobicContact CG-CB 3.81Å; P23-F29 HydrophobicContact CG-CD2 4.03Å; P23-F29 HydrophobicContact CG-CG 4.43Å; G25-F29 PolarHBondContact O-N 2.79Å; G25-F29 VanDerWaalsContact O-N 3.13Å; W26-F29 HydrophobicContact CE3-CD1 4.28Å; W26-F29 HydrophobicContact CZ3-CD1 4.44Å; W26-F29 PolarHBondContact O-N 2.85Å; S27-F29 VanDerWaalsContact C-N 3.33Å; S27-F29 PolarHBondContact O-N 2.84Å; F29-H33 AromaticContact CD2-CE1 3.55Å; F29-H33 AromaticContact CD2-ND1 3.74Å; F29-H33 AromaticContact CE2-CE1 3.27Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.44Å; F29-H33 AromaticContact CE2-ND1 3.67Å; F29-H33 AromaticContact CG-ND1 3.97Å; F29-H33 AromaticContact CZ-CE1 3.76Å; F29-H33 AromaticContact CZ-ND1 3.83Å; F29-H33 PolarHBondContact O-N 3.16Å; F29-H33 VanDerWaalsContact O-N 3.14Å; F29-H33 PolarHBondContact O-ND1 2.79Å |
| 30 | C | 82.8 | Confident | 81.4 | Confident | 71 Ų | 71 | 92.4 Ų | 92.4 | 48% | 0.48 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | -178 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | W26 S27 H33 A34 | W26-C30 WeakPolarHBondContact O-CB 3.36Å; W26-C30 PolarHBondContact O-N 2.74Å; W26-C30 PolarHBondContact O-SG 2.82Å; S27-C30 PolarHBondContact O-N 3.4Å; C30-H33 PolarHBondContact O-N 3.33Å; C30-A34 WeakPolarHBondContact O-CB 3.46Å; C30-A34 PolarHBondContact O-N 3.21Å |
| 31 | E | 84.1 | Confident | 82.9 | Confident | 130 Ų | 130 | 89.4 Ų | 89.4 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -48.6 | 177.3 | -176.7 | 174.3 | -175.3 | 0 | 0 | 111.5 | S27 H33 A34 V35 | S27-E31 VanDerWaalsContact O-CB 3.29Å; S27-E31 WeakPolarHBondContact O-CB 3.42Å; S27-E31 PolarHBondContact O-N 2.79Å; E31-H33 PolarHBondContact O-N 3.43Å; E31-A34 PolarHBondContact O-N 2.89Å; E31-V35 WeakPolarHBondContact O-CB 3.23Å; E31-V35 WeakPolarHBondContact O-CG2 3.27Å; E31-V35 PolarHBondContact O-N 3.29Å |
| 32 | L | 89.3 | Confident | 84 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 38% | 0.377 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 178.5 | -171.7 | 157.8 | 0 | 0 | 0 | 111.9 | V20 E28 V35 A36 | V20-L32 HydrophobicContact CG1-CD1 3.87Å; E28-L32 VanDerWaalsContact O-CB 3.23Å; E28-L32 WeakPolarHBondContact O-CB 3.23Å; E28-L32 PolarHBondContact O-N 2.67Å; E28-L32 VanDerWaalsContact O-N 3.1Å; L32-V35 PolarHBondContact O-N 2.93Å; L32-A36 WeakPolarHBondContact O-CB 3.22Å; L32-A36 PolarHBondContact O-N 3.49Å |
| 33 | H | 89.2 | Confident | 85.4 | Confident | 97 Ų | 97 | 89.6 Ų | 89.6 | 45% | 0.449 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.9 | -32.8 | -179.6 | -68.8 | 85.2 | 0 | 0 | 0 | 112.6 | F29 C30 E31 A36 A37 | F29-H33 AromaticContact CD2-CE1 3.55Å; F29-H33 AromaticContact CD2-ND1 3.74Å; F29-H33 AromaticContact CE2-CE1 3.27Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.44Å; F29-H33 AromaticContact CE2-ND1 3.67Å; F29-H33 AromaticContact CG-ND1 3.97Å; F29-H33 AromaticContact CZ-CE1 3.76Å; F29-H33 AromaticContact CZ-ND1 3.83Å; F29-H33 PolarHBondContact O-N 3.16Å; F29-H33 VanDerWaalsContact O-N 3.14Å; F29-H33 PolarHBondContact O-ND1 2.79Å; C30-H33 PolarHBondContact O-N 3.33Å; E31-H33 PolarHBondContact O-N 3.43Å; H33-A36 PolarHBondContact O-N 2.77Å; H33-A37 VanDerWaalsContact O-CB 3.32Å; H33-A37 WeakPolarHBondContact O-CB 3.44Å; H33-A37 PolarHBondContact O-N 2.89Å |
| 34 | A | 87.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 91.8 Ų | 91.8 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C30 E31 A37 A38 | C30-A34 WeakPolarHBondContact O-CB 3.46Å; C30-A34 PolarHBondContact O-N 3.21Å; E31-A34 PolarHBondContact O-N 2.89Å; A34-A37 PolarHBondContact O-N 2.85Å; A34-A38 VanDerWaalsContact O-CB 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 2.94Å |
| 35 | V | 88.3 | Confident | 86.8 | Confident | 64 Ų | 64 | 83.1 Ų | 83.1 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | E31 L32 R39 | E31-V35 WeakPolarHBondContact O-CB 3.23Å; E31-V35 WeakPolarHBondContact O-CG2 3.27Å; E31-V35 PolarHBondContact O-N 3.29Å; L32-V35 PolarHBondContact O-N 2.93Å; V35-R39 WeakPolarHBondContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.36Å; V35-R39 PolarHBondContact O-N 2.94Å; V35-R39 VanDerWaalsContact O-N 3.09Å |
| 36 | A | 91.1 | Very high | 87.2 | Confident | 50 Ų | 50 | 89.5 Ų | 89.5 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L32 H33 R39 E40 | L32-A36 WeakPolarHBondContact O-CB 3.22Å; L32-A36 PolarHBondContact O-N 3.49Å; H33-A36 PolarHBondContact O-N 2.77Å; A36-R39 PolarHBondContact O-N 2.83Å; A36-E40 PolarHBondContact O-N 3.04Å; A36-E40 VanDerWaalsContact O-N 3.09Å |
| 37 | A | 91.7 | Very high | 87.8 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H33 A34 R39 E40 L41 | H33-A37 VanDerWaalsContact O-CB 3.32Å; H33-A37 WeakPolarHBondContact O-CB 3.44Å; H33-A37 PolarHBondContact O-N 2.89Å; A34-A37 PolarHBondContact O-N 2.85Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 2.81Å; A37-E40 PolarHBondContact O-N 2.86Å; A37-E40 VanDerWaalsContact O-N 3.15Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 3.41Å |
| 38 | A | 91.3 | Very high | 88.3 | Confident | 56 Ų | 56 | 83.3 Ų | 83.3 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A34 E40 A42 | A34-A38 VanDerWaalsContact O-CB 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 2.94Å; A38-E40 VanDerWaalsContact C-N 3.33Å; A38-E40 PolarHBondContact O-N 2.96Å; A38-A42 VanDerWaalsContact O-CB 3.24Å; A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 2.97Å |
| 39 | R | 92.1 | Very high | 88.3 | Confident | 173 Ų | 173 | 80.7 Ų | 80.7 | 65% | 0.653 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.9 | -24.1 | 175.2 | -74.7 | 172.7 | -179.8 | -170.5 | 2.7 | 113.9 | V35 A36 A37 R43 | V35-R39 WeakPolarHBondContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.36Å; V35-R39 PolarHBondContact O-N 2.94Å; V35-R39 VanDerWaalsContact O-N 3.09Å; A36-R39 PolarHBondContact O-N 2.83Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 2.81Å; R39-R43 PolarHBondContact O-NE 2.99Å; R39-R43 PolarHBondContact O-NH2 3.36Å |
| 40 | E | 93.1 | Very high | 88.1 | Confident | 75 Ų | 75 | 84.7 Ų | 84.7 | 35% | 0.35 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -80.1 | -52.2 | 170.7 | -169.6 | 60.1 | -110.8 | 0 | 0 | 110.5 | A36 A37 A38 A42 R43 Q44 | A36-E40 PolarHBondContact O-N 3.04Å; A36-E40 VanDerWaalsContact O-N 3.09Å; A37-E40 PolarHBondContact O-N 2.86Å; A37-E40 VanDerWaalsContact O-N 3.15Å; A38-E40 VanDerWaalsContact C-N 3.33Å; A38-E40 PolarHBondContact O-N 2.96Å; E40-A42 VanDerWaalsContact C-N 3.28Å; E40-A42 PolarHBondContact O-N 3Å; E40-R43 VanDerWaalsContact CD-NH2 3.31Å; E40-R43 WeakPolarHBondContact O-CA 3.4Å; E40-R43 WeakPolarHBondContact O-CB 3.46Å; E40-R43 PolarHBondContact O-N 3.31Å; E40-R43 IonicContact OE1-CZ 3.56Å; E40-R43 IonicContact OE1-NH1 3.8Å; E40-R43 PolarHBondContact OE1-NH1 3.43Å; E40-R43 IonicContact OE1-NH2 3.65Å; E40-R43 IonicContact OE2-CZ 2.76Å; E40-R43 IonicContact OE2-NH1 2.69Å; E40-R43 PolarHBondContact OE2-NH1 3.49Å; E40-R43 IonicContact OE2-NH2 3.31Å; E40-R43 PolarHBondContact OE2-NH2 3.18Å; E40-Q44 HydrophobicContact CG-CG 4.48Å; E40-Q44 WeakPolarHBondContact O-CG 3.29Å; E40-Q44 PolarHBondContact O-N 3.4Å; E40-Q44 PolarHBondContact OE1-NE2 3.03Å |
| 41 | L | 90.8 | Very high | 88.1 | Confident | 47 Ų | 47 | 87 Ų | 87 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -53.1 | -44.5 | 177.9 | -178.1 | 67.5 | 0 | 0 | 0 | 112.2 | A37 R43 Q44 Y45 F67 | A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 3.41Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.19Å; L41-Q44 PolarHBondContact O-N 3.1Å; L41-Y45 VanDerWaalsContact O-CB 3.25Å; L41-Y45 WeakPolarHBondContact O-CB 3.33Å; L41-Y45 PolarHBondContact O-N 2.86Å; L41-F67 HydrophobicContact CD1-CD2 3.68Å; L41-F67 HydrophobicContact CD1-CE2 4.14Å; L41-F67 HydrophobicContact CD1-CG 4.19Å; L41-F67 HydrophobicContact CD2-CB 3.73Å; L41-F67 HydrophobicContact CD2-CD1 3.73Å; L41-F67 HydrophobicContact CD2-CD2 3.77Å; L41-F67 HydrophobicContact CD2-CE1 4.27Å; L41-F67 HydrophobicContact CD2-CE2 4.3Å; L41-F67 HydrophobicContact CD2-CG 3.45Å; L41-F67 VanDerWaalsContact CD2-CG 3.45Å; L41-F67 HydrophobicContact CG-CD2 4.28Å; L41-F67 HydrophobicContact CG-CG 4.41Å |
| 42 | A | 89.3 | Confident | 87.7 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A38 E40 W46 | A38-A42 VanDerWaalsContact O-CB 3.24Å; A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 2.97Å; E40-A42 VanDerWaalsContact C-N 3.28Å; E40-A42 PolarHBondContact O-N 3Å; A42-W46 PolarHBondContact O-N 3.24Å |
| 43 | R | 91.3 | Very high | 86.7 | Confident | 130 Ų | 130 | 86 Ų | 86 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.8 | -48.2 | 174.7 | -80 | 178.8 | -76.3 | 125.3 | -3.4 | 111 | R39 E40 L41 Y45 W46 L47 | R39-R43 PolarHBondContact O-NE 2.99Å; R39-R43 PolarHBondContact O-NH2 3.36Å; E40-R43 VanDerWaalsContact CD-NH2 3.31Å; E40-R43 WeakPolarHBondContact O-CA 3.4Å; E40-R43 WeakPolarHBondContact O-CB 3.46Å; E40-R43 PolarHBondContact O-N 3.31Å; E40-R43 IonicContact OE1-CZ 3.56Å; E40-R43 IonicContact OE1-NH1 3.8Å; E40-R43 PolarHBondContact OE1-NH1 3.43Å; E40-R43 IonicContact OE1-NH2 3.65Å; E40-R43 IonicContact OE2-CZ 2.76Å; E40-R43 IonicContact OE2-NH1 2.69Å; E40-R43 PolarHBondContact OE2-NH1 3.49Å; E40-R43 IonicContact OE2-NH2 3.31Å; E40-R43 PolarHBondContact OE2-NH2 3.18Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.19Å; R43-Y45 VanDerWaalsContact C-N 3.32Å; R43-Y45 PolarHBondContact O-N 2.95Å; R43-W46 PolarHBondContact O-N 2.61Å; R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.04Å |
| 44 | Q | 90.1 | Very high | 85.4 | Confident | 100 Ų | 100 | 90.7 Ų | 90.7 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 178.6 | -58.4 | -55.6 | -30.5 | 0 | 0 | 112 | E40 L41 W46 L47 F48 | E40-Q44 HydrophobicContact CG-CG 4.48Å; E40-Q44 WeakPolarHBondContact O-CG 3.29Å; E40-Q44 PolarHBondContact O-N 3.4Å; E40-Q44 PolarHBondContact OE1-NE2 3.03Å; L41-Q44 PolarHBondContact O-N 3.1Å; Q44-W46 PolarHBondContact O-N 3.29Å; Q44-L47 PolarHBondContact O-N 3.05Å; Q44-F48 WeakPolarHBondContact O-CB 3.38Å; Q44-F48 PolarHBondContact O-N 2.68Å |
| 45 | Y | 85.5 | Confident | 84 | Confident | 42 Ų | 42 | 94 Ų | 94 | 17% | 0.165 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 172.9 | 167.1 | -96.7 | 0 | 0 | 0 | 112.6 | L41 R43 F48 A49 P57 L58 V63 | L41-Y45 VanDerWaalsContact O-CB 3.25Å; L41-Y45 WeakPolarHBondContact O-CB 3.33Å; L41-Y45 PolarHBondContact O-N 2.86Å; R43-Y45 VanDerWaalsContact C-N 3.32Å; R43-Y45 PolarHBondContact O-N 2.95Å; Y45-F48 PolarHBondContact O-N 2.84Å; Y45-A49 VanDerWaalsContact O-CB 3.27Å; Y45-A49 WeakPolarHBondContact O-CB 3.44Å; Y45-A49 PolarHBondContact O-N 3.19Å; Y45-P57 HydrophobicContact CE2-CB 4.38Å; Y45-L58 VanDerWaalsContact CE2-O 3.3Å; Y45-L58 WeakPolarHBondContact CE2-O 3.44Å; Y45-L58 PolarHBondContact OH-O 2.82Å; Y45-V63 HydrophobicContact CD2-CG1 4.34Å; Y45-V63 HydrophobicContact CD2-CG2 4.06Å; Y45-V63 HydrophobicContact CE2-CG2 4Å |
| 46 | W | 85.4 | Confident | 82.2 | Confident | 171 Ų | 171 | 94.9 Ų | 94.9 | 65% | 0.648 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.9 | -27.7 | 179.4 | -77.3 | 119.3 | 0 | 0 | 0 | 113.7 | A42 R43 Q44 R50 | A42-W46 PolarHBondContact O-N 3.24Å; R43-W46 PolarHBondContact O-N 2.61Å; Q44-W46 PolarHBondContact O-N 3.29Å; W46-R50 WeakPolarHBondContact O-CB 3.41Å; W46-R50 PolarHBondContact O-N 3.44Å |
| 47 | L | 88.1 | Confident | 80.7 | Confident | 62 Ų | 62 | 95.9 Ų | 95.9 | 33% | 0.325 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -54.1 | 169.6 | -67.2 | 172.4 | 0 | 0 | 0 | 110.3 | R43 Q44 A49 R50 E51 | R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.04Å; Q44-L47 PolarHBondContact O-N 3.05Å; L47-A49 PolarHBondContact O-N 3.33Å; L47-R50 WeakPolarHBondContact O-CB 3.42Å; L47-R50 PolarHBondContact O-N 3.49Å; L47-E51 PolarHBondContact O-N 3.34Å |
| 48 | F | 84.9 | Confident | 79.2 | Confident | 115 Ų | 115 | 98.8 Ų | 98.8 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 178.8 | -175.2 | -88.3 | 0 | 0 | 0 | 112.5 | Q44 Y45 R50 E51 H52 | Q44-F48 WeakPolarHBondContact O-CB 3.38Å; Q44-F48 PolarHBondContact O-N 2.68Å; Y45-F48 PolarHBondContact O-N 2.84Å; F48-R50 PolarHBondContact O-N 2.83Å; F48-E51 PolarHBondContact O-N 3Å; F48-H52 AromaticContact CD2-CD2 3.44Å; F48-H52 VanDerWaalsContact CD2-CD2 3.44Å; F48-H52 WeakPolarHBondContact CD2-CD2 3.48Å; F48-H52 AromaticContact CD2-NE2 3.91Å; F48-H52 HydrophobicContact CE1-CB 4.37Å; F48-H52 AromaticContact CE2-CD2 3.31Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.33Å; F48-H52 AromaticContact CE2-NE2 3.68Å; F48-H52 AromaticContact CG-CD2 3.89Å; F48-H52 HydrophobicContact CZ-CB 4.47Å; F48-H52 AromaticContact CZ-CD2 3.66Å; F48-H52 PolarHBondContact O-CD2 3.3Å; F48-H52 PolarHBondContact O-N 2.87Å |
| 49 | A | 82.2 | Confident | 78.1 | Confident | 18 Ų | 18 | 102.2 Ų | 102.2 | 15% | 0.149 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.4 | -25.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y45 L47 P57 | Y45-A49 VanDerWaalsContact O-CB 3.27Å; Y45-A49 WeakPolarHBondContact O-CB 3.44Å; Y45-A49 PolarHBondContact O-N 3.19Å; L47-A49 PolarHBondContact O-N 3.33Å; A49-P57 HydrophobicContact CB-CB 3.95Å |
| 50 | R | 81.7 | Confident | 77.1 | Confident | 167 Ų | 167 | 96.8 Ų | 96.8 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -86.7 | -31.8 | 176.9 | -173.2 | -176 | 65.3 | -170.6 | -1 | 112.3 | W46 L47 F48 | W46-R50 WeakPolarHBondContact O-CB 3.41Å; W46-R50 PolarHBondContact O-N 3.44Å; L47-R50 WeakPolarHBondContact O-CB 3.42Å; L47-R50 PolarHBondContact O-N 3.49Å; F48-R50 PolarHBondContact O-N 2.83Å |
| 51 | E | 83.8 | Confident | 75.9 | Confident | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -84.1 | -22.1 | 179.7 | -75.3 | 157.3 | -148.9 | 0 | 0 | 112.8 | L47 F48 P53 | L47-E51 PolarHBondContact O-N 3.34Å; F48-E51 PolarHBondContact O-N 3Å; E51-P53 VanDerWaalsContact C-CD 3.46Å; E51-P53 WeakPolarHBondContact O-CD 3.41Å |
| 52 | H | 75.9 | Confident | 74.9 | Confident | 80 Ų | 80 | 98.4 Ų | 98.4 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | trans | -122.7 | 59.2 | 177.4 | -58.8 | -69.4 | 0 | 0 | 0 | 114.9 | F48 Q54 H55 | F48-H52 AromaticContact CD2-CD2 3.44Å; F48-H52 VanDerWaalsContact CD2-CD2 3.44Å; F48-H52 WeakPolarHBondContact CD2-CD2 3.48Å; F48-H52 AromaticContact CD2-NE2 3.91Å; F48-H52 HydrophobicContact CE1-CB 4.37Å; F48-H52 AromaticContact CE2-CD2 3.31Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.33Å; F48-H52 AromaticContact CE2-NE2 3.68Å; F48-H52 AromaticContact CG-CD2 3.89Å; F48-H52 HydrophobicContact CZ-CB 4.47Å; F48-H52 AromaticContact CZ-CD2 3.66Å; F48-H52 PolarHBondContact O-CD2 3.3Å; F48-H52 PolarHBondContact O-N 2.87Å; H52-Q54 PolarHBondContact O-N 3.37Å; H52-H55 HydrophobicContact CB-CB 4.49Å; H52-H55 PolarHBondContact O-N 2.62Å | ||
| 53 | P | 67.4 | Low | 74.4 | Confident | 100 Ų | 100 | 97.6 Ų | 97.6 | 65% | 0.649 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.3 | -175.2 | -24.2 | 34.8 | 0 | 0 | 0 | 116.3 | E51 | E51-P53 VanDerWaalsContact C-CD 3.46Å; E51-P53 WeakPolarHBondContact O-CD 3.41Å |
| 54 | Q | 61.9 | Low | 73.9 | Confident | 195 Ų | 195 | 94 Ų | 94 | 91% | 0.911 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -20.7 | 177.4 | -57.8 | -169.6 | 27.6 | 0 | 0 | 112.8 | H52 A56 | H52-Q54 PolarHBondContact O-N 3.37Å; Q54-A56 PolarHBondContact O-N 2.91Å |
| 55 | H | 58.2 | Low | 73.2 | Confident | 129 Ų | 129 | 94.7 Ų | 94.7 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -90.1 | 95.7 | 166 | -66.7 | -62.6 | 0 | 0 | 0 | 107.6 | H52 P57 | H52-H55 HydrophobicContact CB-CB 4.49Å; H52-H55 PolarHBondContact O-N 2.62Å; H55-P57 VanDerWaalsContact O-N 3.11Å |
| 56 | A | 51.1 | Low | 72.8 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 69% | 0.686 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 121.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q54 L58 | Q54-A56 PolarHBondContact O-N 2.91Å; A56-L58 PolarHBondContact O-N 3.27Å; A56-L58 VanDerWaalsContact O-N 3.07Å |
| 57 | P | 58.1 | Low | 72.8 | Confident | 71 Ų | 71 | 92.6 Ų | 92.6 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 119.4 | -166.3 | 21 | -32.3 | 0 | 0 | 0 | 110.1 | Y45 A49 H55 R59 | Y45-P57 HydrophobicContact CE2-CB 4.38Å; A49-P57 HydrophobicContact CB-CB 3.95Å; H55-P57 VanDerWaalsContact O-N 3.11Å; P57-R59 PolarHBondContact O-N 3.26Å |
| 58 | L | 61.3 | Low | 72.6 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 126.7 | 173.1 | -70.7 | 175.4 | 0 | 0 | 0 | 107.8 | Y45 A56 A60 V63 | Y45-L58 VanDerWaalsContact CE2-O 3.3Å; Y45-L58 WeakPolarHBondContact CE2-O 3.44Å; Y45-L58 PolarHBondContact OH-O 2.82Å; A56-L58 PolarHBondContact O-N 3.27Å; A56-L58 VanDerWaalsContact O-N 3.07Å; L58-A60 PolarHBondContact O-N 2.8Å; L58-V63 HydrophobicContact CB-CG2 3.66Å; L58-V63 WeakPolarHBondContact O-CG2 3.49Å |
| 59 | R | 68.9 | Low | 72.2 | Confident | 128 Ų | 128 | 89.6 Ų | 89.6 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 145.6 | -176.1 | -53.7 | 175.1 | 51.8 | 124.8 | 1.1 | 110.3 | P57 E61 L62 V63 | P57-R59 PolarHBondContact O-N 3.26Å; R59-E61 WeakPolarHBondContact CB-OE2 3.33Å; R59-E61 IonicContact CZ-OE1 3.74Å; R59-E61 IonicContact CZ-OE2 3.1Å; R59-E61 IonicContact NE-OE1 3.27Å; R59-E61 IonicContact NE-OE2 3.06Å; R59-E61 PolarHBondContact NE-OE2 3.45Å; R59-E61 IonicContact NH2-OE1 2.68Å; R59-E61 PolarHBondContact NH2-OE1 3.26Å; R59-E61 IonicContact NH2-OE2 3.51Å; R59-E61 PolarHBondContact O-N 2.82Å; R59-L62 WeakPolarHBondContact O-CB 3.14Å; R59-L62 PolarHBondContact O-N 2.93Å; R59-V63 PolarHBondContact O-N 2.86Å |
| 60 | A | 69.9 | Low | 72.3 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -54.9 | -27.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L58 S64 | L58-A60 PolarHBondContact O-N 2.8Å; A60-S64 WeakPolarHBondContact O-CB 3.47Å; A60-S64 PolarHBondContact O-N 3.3Å; A60-S64 PolarHBondContact O-OG 3.27Å |
| 61 | E | 67.9 | Low | 72.7 | Confident | 96 Ų | 96 | 89 Ų | 89 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.2 | -28.4 | 175.7 | -44.7 | 92.2 | 156.1 | 0 | 0 | 113.4 | R59 S64 L65 | R59-E61 WeakPolarHBondContact CB-OE2 3.33Å; R59-E61 IonicContact CZ-OE1 3.74Å; R59-E61 IonicContact CZ-OE2 3.1Å; R59-E61 IonicContact NE-OE1 3.27Å; R59-E61 IonicContact NE-OE2 3.06Å; R59-E61 PolarHBondContact NE-OE2 3.45Å; R59-E61 IonicContact NH2-OE1 2.68Å; R59-E61 PolarHBondContact NH2-OE1 3.26Å; R59-E61 IonicContact NH2-OE2 3.51Å; R59-E61 PolarHBondContact O-N 2.82Å; E61-S64 PolarHBondContact O-OG 2.88Å; E61-L65 WeakPolarHBondContact O-CD1 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; E61-L65 PolarHBondContact O-N 3.32Å |
| 62 | L | 69.8 | Low | 72.6 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 32% | 0.319 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.5 | -40.3 | 174.1 | -61.8 | 176.4 | 0 | 0 | 0 | 111 | R59 L65 Q66 | R59-L62 WeakPolarHBondContact O-CB 3.14Å; R59-L62 PolarHBondContact O-N 2.93Å; L62-L65 PolarHBondContact O-N 2.95Å; L62-Q66 PolarHBondContact O-N 3.23Å |
| 63 | V | 79.9 | Confident | 72.7 | Confident | 30 Ų | 30 | 89 Ų | 89 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | Y45 L58 R59 Q66 F67 | Y45-V63 HydrophobicContact CD2-CG1 4.34Å; Y45-V63 HydrophobicContact CD2-CG2 4.06Å; Y45-V63 HydrophobicContact CE2-CG2 4Å; L58-V63 HydrophobicContact CB-CG2 3.66Å; L58-V63 WeakPolarHBondContact O-CG2 3.49Å; R59-V63 PolarHBondContact O-N 2.86Å; V63-Q66 PolarHBondContact O-N 2.67Å; V63-F67 VanDerWaalsContact O-CB 3.23Å; V63-F67 WeakPolarHBondContact O-CB 3.44Å; V63-F67 PolarHBondContact O-N 3.45Å |
| 64 | S | 79.6 | Confident | 73.4 | Confident | 54 Ų | 54 | 91 Ų | 91 | 38% | 0.378 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 176.1 | 67 | 0 | 0 | 0 | 0 | 112.7 | A60 E61 F67 T68 | A60-S64 WeakPolarHBondContact O-CB 3.47Å; A60-S64 PolarHBondContact O-N 3.3Å; A60-S64 PolarHBondContact O-OG 3.27Å; E61-S64 PolarHBondContact O-OG 2.88Å; S64-F67 PolarHBondContact O-N 2.93Å; S64-T68 WeakPolarHBondContact O-CG2 3.32Å; S64-T68 PolarHBondContact O-N 2.99Å; S64-T68 PolarHBondContact O-OG1 2.96Å |
| 65 | L | 76.4 | Confident | 74.5 | Confident | 115 Ų | 115 | 87 Ų | 87 | 60% | 0.602 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 173.9 | -75.8 | 169.9 | 0 | 0 | 0 | 112.9 | E61 L62 T68 D69 | E61-L65 WeakPolarHBondContact O-CD1 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; E61-L65 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 2.95Å; L65-T68 PolarHBondContact O-OG1 2.83Å; L65-T68 VanDerWaalsContact O-OG1 3.14Å; L65-D69 PolarHBondContact O-N 2.84Å |
| 66 | Q | 75.6 | Confident | 75.4 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 173.4 | -72.5 | -177.7 | -27.5 | 0 | 0 | 111.6 | L62 V63 L70 | L62-Q66 PolarHBondContact O-N 3.23Å; V63-Q66 PolarHBondContact O-N 2.67Å; Q66-L70 VanDerWaalsContact O-CG 3.32Å; Q66-L70 WeakPolarHBondContact O-CG 3.33Å; Q66-L70 PolarHBondContact O-N 2.77Å; Q66-L70 VanDerWaalsContact O-N 3.11Å |
| 67 | F | 85.5 | Confident | 76.6 | Confident | 67 Ų | 67 | 86.9 Ų | 86.9 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.8 | 176.8 | -96.6 | 0 | 0 | 0 | 112.4 | L41 V63 S64 L70 F71 | L41-F67 HydrophobicContact CD1-CD2 3.68Å; L41-F67 HydrophobicContact CD1-CE2 4.14Å; L41-F67 HydrophobicContact CD1-CG 4.19Å; L41-F67 HydrophobicContact CD2-CB 3.73Å; L41-F67 HydrophobicContact CD2-CD1 3.73Å; L41-F67 HydrophobicContact CD2-CD2 3.77Å; L41-F67 HydrophobicContact CD2-CE1 4.27Å; L41-F67 HydrophobicContact CD2-CE2 4.3Å; L41-F67 HydrophobicContact CD2-CG 3.45Å; L41-F67 VanDerWaalsContact CD2-CG 3.45Å; L41-F67 HydrophobicContact CG-CD2 4.28Å; L41-F67 HydrophobicContact CG-CG 4.41Å; V63-F67 VanDerWaalsContact O-CB 3.23Å; V63-F67 WeakPolarHBondContact O-CB 3.44Å; V63-F67 PolarHBondContact O-N 3.45Å; S64-F67 PolarHBondContact O-N 2.93Å; F67-L70 PolarHBondContact O-N 2.89Å; F67-F71 HydrophobicContact CD1-CB 4.41Å; F67-F71 HydrophobicContact CE1-CB 4.12Å; F67-F71 HydrophobicContact CE1-CD2 4.29Å; F67-F71 HydrophobicContact CE1-CG 4.33Å; F67-F71 HydrophobicContact CZ-CB 4.29Å; F67-F71 HydrophobicContact CZ-CD2 4.02Å; F67-F71 HydrophobicContact CZ-CG 4.44Å; F67-F71 WeakPolarHBondContact O-CA 3.48Å; F67-F71 WeakPolarHBondContact O-CB 3.3Å; F67-F71 PolarHBondContact O-N 3.48Å |
| 68 | T | 84.3 | Confident | 77.8 | Confident | 65 Ų | 65 | 89.5 Ų | 89.5 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | -179.5 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | S64 L65 F71 Q72 | S64-T68 WeakPolarHBondContact O-CG2 3.32Å; S64-T68 PolarHBondContact O-N 2.99Å; S64-T68 PolarHBondContact O-OG1 2.96Å; L65-T68 PolarHBondContact O-OG1 2.83Å; L65-T68 VanDerWaalsContact O-OG1 3.14Å; T68-F71 PolarHBondContact O-N 2.85Å; T68-Q72 VanDerWaalsContact O-CG 3.25Å; T68-Q72 WeakPolarHBondContact O-CG 3.44Å; T68-Q72 PolarHBondContact O-N 3.42Å |
| 69 | D | 76.6 | Confident | 78.6 | Confident | 50 Ų | 50 | 89.6 Ų | 89.6 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 173.4 | 172.9 | 53.5 | 0 | 0 | 0 | 112 | L65 R73 | L65-D69 PolarHBondContact O-N 2.84Å; D69-R73 WeakPolarHBondContact O-CD 3.37Å; D69-R73 VanDerWaalsContact O-CG 3.27Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 3.21Å; D69-R73 IonicContact OD1-CZ 3.99Å; D69-R73 IonicContact OD1-NE 3.9Å; D69-R73 PolarHBondContact OD1-NE 2.84Å; D69-R73 IonicContact OD1-NH2 3.86Å; D69-R73 PolarHBondContact OD1-NH2 3.46Å; D69-R73 IonicContact OD2-CZ 2.75Å; D69-R73 IonicContact OD2-NE 2.71Å; D69-R73 PolarHBondContact OD2-NE 2.88Å; D69-R73 IonicContact OD2-NH1 3.87Å; D69-R73 PolarHBondContact OD2-NH1 3.29Å; D69-R73 IonicContact OD2-NH2 2.93Å; D69-R73 PolarHBondContact OD2-NH2 3.08Å |
| 70 | L | 84.5 | Confident | 78.7 | Confident | 78 Ų | 78 | 92.3 Ų | 92.3 | 41% | 0.408 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.2 | -44 | 176 | -67.3 | 174.7 | 0 | 0 | 0 | 112.1 | Q66 F67 Q72 R73 Y74 | Q66-L70 VanDerWaalsContact O-CG 3.32Å; Q66-L70 WeakPolarHBondContact O-CG 3.33Å; Q66-L70 PolarHBondContact O-N 2.77Å; Q66-L70 VanDerWaalsContact O-N 3.11Å; F67-L70 PolarHBondContact O-N 2.89Å; L70-Q72 PolarHBondContact O-N 3.08Å; L70-R73 PolarHBondContact O-N 2.74Å; L70-Y74 HydrophobicContact CB-CD2 4.43Å; L70-Y74 HydrophobicContact CD2-CE2 4.36Å; L70-Y74 WeakPolarHBondContact O-CD2 3.1Å; L70-Y74 PolarHBondContact O-N 3.13Å |
| 71 | F | 89.1 | Confident | 78.9 | Confident | 95 Ų | 95 | 93.6 Ų | 93.6 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 179.4 | 175.9 | -93.2 | 0 | 0 | 0 | 111.1 | F67 T68 R73 Y74 F75 | F67-F71 HydrophobicContact CD1-CB 4.41Å; F67-F71 HydrophobicContact CE1-CB 4.12Å; F67-F71 HydrophobicContact CE1-CD2 4.29Å; F67-F71 HydrophobicContact CE1-CG 4.33Å; F67-F71 HydrophobicContact CZ-CB 4.29Å; F67-F71 HydrophobicContact CZ-CD2 4.02Å; F67-F71 HydrophobicContact CZ-CG 4.44Å; F67-F71 WeakPolarHBondContact O-CA 3.48Å; F67-F71 WeakPolarHBondContact O-CB 3.3Å; F67-F71 PolarHBondContact O-N 3.48Å; T68-F71 PolarHBondContact O-N 2.85Å; F71-R73 PolarHBondContact O-N 2.79Å; F71-Y74 PolarHBondContact O-N 3.13Å; F71-F75 HydrophobicContact CD1-CB 4.45Å; F71-F75 HydrophobicContact CE1-CB 4.14Å; F71-F75 HydrophobicContact CE1-CG 4.25Å; F71-F75 HydrophobicContact CZ-CB 4.18Å; F71-F75 HydrophobicContact CZ-CD2 4.06Å; F71-F75 HydrophobicContact CZ-CG 4.15Å; F71-F75 WeakPolarHBondContact O-CB 3.37Å; F71-F75 PolarHBondContact O-N 2.83Å |
| 72 | Q | 82.1 | Confident | 78.1 | Confident | 103 Ų | 103 | 91.5 Ų | 91.5 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 176.1 | -73 | 169.8 | 18.8 | 0 | 0 | 111.5 | T68 L70 Y74 C76 | T68-Q72 VanDerWaalsContact O-CG 3.25Å; T68-Q72 WeakPolarHBondContact O-CG 3.44Å; T68-Q72 PolarHBondContact O-N 3.42Å; L70-Q72 PolarHBondContact O-N 3.08Å; Q72-Y74 PolarHBondContact O-N 2.99Å; Q72-C76 VanDerWaalsContact O-CB 3.3Å; Q72-C76 WeakPolarHBondContact O-CB 3Å; Q72-C76 PolarHBondContact O-N 2.74Å; Q72-C76 PolarHBondContact O-SG 3.35Å; Q72-C76 VanDerWaalsContact O-SG 3.34Å |
| 73 | R | 78.1 | Confident | 77.3 | Confident | 96 Ų | 96 | 100 Ų | 100 | 36% | 0.362 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | -179.5 | -66.1 | 166.9 | -170.2 | -171.9 | 2.6 | 112.7 | D69 L70 F71 R77 | D69-R73 WeakPolarHBondContact O-CD 3.37Å; D69-R73 VanDerWaalsContact O-CG 3.27Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 3.21Å; D69-R73 IonicContact OD1-CZ 3.99Å; D69-R73 IonicContact OD1-NE 3.9Å; D69-R73 PolarHBondContact OD1-NE 2.84Å; D69-R73 IonicContact OD1-NH2 3.86Å; D69-R73 PolarHBondContact OD1-NH2 3.46Å; D69-R73 IonicContact OD2-CZ 2.75Å; D69-R73 IonicContact OD2-NE 2.71Å; D69-R73 PolarHBondContact OD2-NE 2.88Å; D69-R73 IonicContact OD2-NH1 3.87Å; D69-R73 PolarHBondContact OD2-NH1 3.29Å; D69-R73 IonicContact OD2-NH2 2.93Å; D69-R73 PolarHBondContact OD2-NH2 3.08Å; L70-R73 PolarHBondContact O-N 2.74Å; F71-R73 PolarHBondContact O-N 2.79Å; R73-R77 WeakPolarHBondContact O-CB 3.23Å; R73-R77 PolarHBondContact O-N 2.73Å |
| 74 | Y | 82.4 | Confident | 75.6 | Confident | 143 Ų | 143 | 102.6 Ų | 102.6 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -77.6 | -41.1 | 179.4 | -72.6 | -68.2 | 0 | 0 | 0 | 112.4 | L70 F71 Q72 R77 E78 | L70-Y74 HydrophobicContact CB-CD2 4.43Å; L70-Y74 HydrophobicContact CD2-CE2 4.36Å; L70-Y74 WeakPolarHBondContact O-CD2 3.1Å; L70-Y74 PolarHBondContact O-N 3.13Å; F71-Y74 PolarHBondContact O-N 3.13Å; Q72-Y74 PolarHBondContact O-N 2.99Å; Y74-R77 WeakPolarHBondContact O-CA 3.25Å; Y74-R77 WeakPolarHBondContact O-CB 3.32Å; Y74-R77 PolarHBondContact O-N 3.42Å; Y74-R77 VanDerWaalsContact O-N 3.14Å; Y74-E78 WeakPolarHBondContact O-CG 3.36Å; Y74-E78 PolarHBondContact O-N 3.08Å |
| 75 | F | 85.2 | Confident | 74 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 48% | 0.482 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 178 | 179.9 | -99.9 | 0 | 0 | 0 | 112.1 | F71 R77 E78 V79 | F71-F75 HydrophobicContact CD1-CB 4.45Å; F71-F75 HydrophobicContact CE1-CB 4.14Å; F71-F75 HydrophobicContact CE1-CG 4.25Å; F71-F75 HydrophobicContact CZ-CB 4.18Å; F71-F75 HydrophobicContact CZ-CD2 4.06Å; F71-F75 HydrophobicContact CZ-CG 4.15Å; F71-F75 WeakPolarHBondContact O-CB 3.37Å; F71-F75 PolarHBondContact O-N 2.83Å; F75-R77 PolarHBondContact O-N 2.71Å; F75-E78 PolarHBondContact O-N 2.94Å; F75-V79 HydrophobicContact CD1-CG2 4.23Å; F75-V79 HydrophobicContact CD2-CG2 4.35Å; F75-V79 HydrophobicContact CE1-CG2 3.84Å; F75-V79 HydrophobicContact CE2-CG2 3.97Å; F75-V79 HydrophobicContact CG-CG2 4.48Å; F75-V79 HydrophobicContact CZ-CG2 3.7Å; F75-V79 WeakPolarHBondContact O-CB 3.14Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.26Å |
| 76 | C | 76.4 | Confident | 72.3 | Confident | 82 Ų | 82 | 104 Ų | 104 | 55% | 0.554 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64 | -26.4 | 175.7 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | Q72 R80 | Q72-C76 VanDerWaalsContact O-CB 3.3Å; Q72-C76 WeakPolarHBondContact O-CB 3Å; Q72-C76 PolarHBondContact O-N 2.74Å; Q72-C76 PolarHBondContact O-SG 3.35Å; Q72-C76 VanDerWaalsContact O-SG 3.34Å; C76-R80 WeakPolarHBondContact O-CB 3.1Å; C76-R80 PolarHBondContact O-N 2.68Å |
| 77 | R | 77.4 | Confident | 70.4 | Confident | 128 Ų | 128 | 111 Ų | 111 | 48% | 0.483 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71 | -55.1 | 170.2 | 178.8 | 179.4 | -179.6 | 179.9 | -1.8 | 111.4 | R73 Y74 F75 V79 R80 D81 | R73-R77 WeakPolarHBondContact O-CB 3.23Å; R73-R77 PolarHBondContact O-N 2.73Å; Y74-R77 WeakPolarHBondContact O-CA 3.25Å; Y74-R77 WeakPolarHBondContact O-CB 3.32Å; Y74-R77 PolarHBondContact O-N 3.42Å; Y74-R77 VanDerWaalsContact O-N 3.14Å; F75-R77 PolarHBondContact O-N 2.71Å; R77-V79 VanDerWaalsContact C-N 3.26Å; R77-V79 PolarHBondContact O-N 3.3Å; R77-R80 PolarHBondContact O-N 3.13Å; R77-D81 WeakPolarHBondContact CG-OD2 3.45Å; R77-D81 IonicContact CZ-OD2 2.77Å; R77-D81 IonicContact NE-OD2 2.99Å; R77-D81 PolarHBondContact NE-OD2 2.73Å; R77-D81 WeakPolarHBondContact O-CB 3.47Å; R77-D81 VanDerWaalsContact O-CG 3.23Å; R77-D81 PolarHBondContact O-N 3.22Å |
| 78 | E | 82.3 | Confident | 68.5 | Low | 126 Ų | 126 | 115.3 Ų | 115.3 | 59% | 0.589 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59 | -36 | -179.2 | -66.3 | -57.8 | 130.9 | 0 | 0 | 112.3 | Y74 F75 G82 | Y74-E78 WeakPolarHBondContact O-CG 3.36Å; Y74-E78 PolarHBondContact O-N 3.08Å; F75-E78 PolarHBondContact O-N 2.94Å; E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.28Å; E78-G82 PolarHBondContact O-N 3.12Å |
| 79 | V | 78.4 | Confident | 66.1 | Low | 94 Ų | 94 | 121 Ų | 121 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -34.9 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 112.5 | F75 R77 | F75-V79 HydrophobicContact CD1-CG2 4.23Å; F75-V79 HydrophobicContact CD2-CG2 4.35Å; F75-V79 HydrophobicContact CE1-CG2 3.84Å; F75-V79 HydrophobicContact CE2-CG2 3.97Å; F75-V79 HydrophobicContact CG-CG2 4.48Å; F75-V79 HydrophobicContact CZ-CG2 3.7Å; F75-V79 WeakPolarHBondContact O-CB 3.14Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.26Å; R77-V79 VanDerWaalsContact C-N 3.26Å; R77-V79 PolarHBondContact O-N 3.3Å |
| 80 | R | 71.8 | Confident | 64.4 | Low | 186 Ų | 186 | 128.2 Ų | 128.2 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -76.7 | -40.4 | 176.7 | 179.3 | -177.3 | 63.3 | -149.3 | -6.2 | 112.4 | C76 R77 G82 | C76-R80 WeakPolarHBondContact O-CB 3.1Å; C76-R80 PolarHBondContact O-N 2.68Å; R77-R80 PolarHBondContact O-N 3.13Å; R80-G82 VanDerWaalsContact C-N 3.27Å |
| 81 | D | 73.8 | Confident | 61.9 | Low | 86 Ų | 86 | 130.5 Ų | 130.5 | 46% | 0.46 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -78.5 | -19.3 | -179 | -59.2 | 3.4 | 0 | 0 | 0 | 110 | R77 R83 | R77-D81 WeakPolarHBondContact CG-OD2 3.45Å; R77-D81 IonicContact CZ-OD2 2.77Å; R77-D81 IonicContact NE-OD2 2.99Å; R77-D81 PolarHBondContact NE-OD2 2.73Å; R77-D81 WeakPolarHBondContact O-CB 3.47Å; R77-D81 VanDerWaalsContact O-CG 3.23Å; R77-D81 PolarHBondContact O-N 3.22Å; D81-R83 PolarHBondContact O-N 3.5Å |
| 82 | G | 51.2 | Low | 59.3 | Low | 52 Ų | 52 | 132.2 Ų | 132.2 | 54% | 0.536 | 65% | 0.651 | S | S | . | * | trans | -73 | 64.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | E78 R80 A84 | E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.28Å; E78-G82 PolarHBondContact O-N 3.12Å; R80-G82 VanDerWaalsContact C-N 3.27Å; G82-A84 PolarHBondContact O-N 3.44Å | ||
| 83 | R | 53.6 | Low | 56.8 | Low | 240 Ų | 240 | 130.8 Ų | 130.8 | 91% | 0.906 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118.1 | 164 | -174.3 | 179.4 | -178 | -159.7 | -1.7 | 109.7 | D81 | D81-R83 PolarHBondContact O-N 3.5Š|
| 84 | A | 44.2 | Very low | 54.6 | Low | 83 Ų | 83 | 138 Ų | 138 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52 | 134.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G82 G86 | G82-A84 PolarHBondContact O-N 3.44Å; A84-G86 PolarHBondContact O-N 2.78Å |
| 85 | P | 45.3 | Very low | 52 | Low | 130 Ų | 130 | 134.1 Ų | 134.1 | 84% | 0.844 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.3 | -178.7 | 25.3 | -33.5 | 0 | 0 | 0 | 111 | ||
| 86 | G | 40.5 | Very low | 50.4 | Low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 147.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A84 | A84-G86 PolarHBondContact O-N 2.78Š|
| 87 | R | 36.1 | Very low | 49.2 | Very low | 248 Ų | 248 | 136.5 Ų | 136.5 | 94% | 0.936 | 72% | 0.72 | S | S | * | * | trans | -122.6 | 49.5 | 174.3 | -159.4 | -180 | -167.9 | -114.2 | 4.6 | 111 | Y89 | R87-Y89 PolarHBondContact O-N 3.45Š| ||
| 88 | D | 44.3 | Very low | 47.1 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | -68.2 | 113.2 | 176.9 | -70.4 | -46.4 | 0 | 0 | 0 | 110.6 | ||||
| 89 | Y | 35.3 | Very low | 44.7 | Very low | 186 Ų | 186 | 138 Ų | 138 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | -153.7 | 98.6 | 169.1 | -137.8 | -99 | 0 | 0 | 0 | 112.1 | R87 | R87-Y89 PolarHBondContact O-N 3.45Š| ||
| 90 | R | 41.2 | Very low | 42.5 | Very low | 200 Ų | 200 | 137 Ų | 137 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 71 | 159.4 | 167.5 | -61.2 | -178 | -173.7 | 159.5 | 3.5 | 116.1 | ||||
| 91 | D | 31.9 | Very low | 40.6 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | cis | -137.8 | 177.9 | 4.8 | -139.4 | -58.9 | 0 | 0 | 0 | 113.6 | ||||
| 92 | T | 34.1 | Very low | 38.5 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -62.8 | 158 | -176.6 | 52.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 93 | G | 29.4 | Very low | 37.4 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 173.1 | 69.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 94 | R | 32.2 | Very low | 37 | Very low | 246 Ų | 246 | 134.9 Ų | 134.9 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | 19 | 114.4 | 143.3 | 177.1 | -168.9 | -87.2 | -108.2 | 3.3 | 119 | ||||
| 95 | G | 27.7 | Very low | 36.4 | Very low | 62 Ų | 62 | 138.7 Ų | 138.7 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | trans | -95.2 | -154 | 148 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 96 | P | 50.7 | Low | 36.1 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | cis | -121 | -141.4 | -24.6 | 33.6 | -10.3 | 0 | 0 | 0 | 108 | ||||
| 97 | P | 51.8 | Low | 35.7 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -142.1 | -174.7 | -8.4 | 43.3 | -24 | 0 | 0 | 0 | 117.9 | ||||
| 98 | A | 33.1 | Very low | 35.9 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 80.9 | 151.3 | 150 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 99 | K | 31.9 | Very low | 35 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | cis | -161.8 | 163.5 | -1.6 | -141.9 | -174.6 | 176.2 | -169.6 | 0 | 112.1 | ||||
| 100 | A | 32.9 | Very low | 34.8 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | 63.8 | 128.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 101 | E | 30.6 | Very low | 34.1 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | 68.6 | 132.3 | 66.8 | -67 | 176.6 | 104.3 | 0 | 0 | 113.7 | |||||
| 102 | A | 30.1 | Very low | 34.4 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | cis | -158.4 | 176.4 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 103 | S | 29.1 | Very low | 35 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -69.8 | 177.1 | 178.2 | -42.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 104 | P | 43.8 | Very low | 34.9 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -141.3 | -176.1 | 10.8 | 43.1 | -22.8 | 0 | 0 | 0 | 118.5 | ||||
| 105 | E | 32 | Very low | 35 | Very low | 163 Ų | 163 | 119.1 Ų | 119.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -52.6 | 165.6 | 160.4 | -79.4 | -72.6 | 128.3 | 0 | 0 | 114 | ||||
| 106 | P | 39.8 | Very low | 36 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | cis | -136.2 | 168.2 | 22.5 | 41.9 | -24.5 | 0 | 0 | 0 | 118.8 | ||||
| 107 | G | 31.5 | Very low | 35 | Very low | 57 Ų | 57 | 124.5 Ų | 124.5 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | trans | -70.2 | 168.9 | 164 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 108 | P | 40.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -145.1 | 174.5 | 58.3 | 41.4 | -24.3 | 0 | 0 | 0 | 116.2 | |||||
| 109 | G | 25.7 | Very low | 33.9 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 157.2 | 118.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 110 | L | 30.4 | Very low | 33.7 | Very low | 185 Ų | 185 | 125.9 Ų | 125.9 | 97% | 0.969 | 79% | 0.793 | S | S | * | * | trans | -61 | 148.2 | 174.2 | -71 | 148.6 | 0 | 0 | 0 | 115.5 | ||||
| 111 | A | 28 | Very low | 33.6 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -158 | 140.7 | 147.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 112 | A | 37.5 | Very low | 33.4 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -159 | 149.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 113 | P | 45.8 | Very low | 33.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -128.8 | 133.1 | 176.5 | 37.3 | -22.5 | 0 | 0 | 0 | 116.8 | ||||
| 114 | G | 28.8 | Very low | 33.5 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | 94.4 | 97.3 | 125.6 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 115 | L | 34.2 | Very low | 32.7 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | 69.4 | 162.5 | 133.7 | -67.3 | 156.9 | 0 | 0 | 0 | 119.9 | ||||
| 116 | P | 47.7 | Very low | 33.4 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | cis | -139.7 | 153 | -26.9 | 34 | -15.4 | 0 | 0 | 0 | 117.2 | ||||
| 117 | K | 30.9 | Very low | 33.9 | Very low | 206 Ų | 206 | 127.2 Ų | 127.2 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | 64.5 | 151.6 | 146.4 | -71.5 | 179.1 | 175.2 | 173.8 | 0 | 120.3 | ||||
| 118 | A | 31.3 | Very low | 33.8 | Very low | 76 Ų | 76 | 136 Ų | 136 | 63% | 0.628 | 80% | 0.801 | S | S | * | * | cis | -171.1 | 148.2 | -17.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 119 | R | 30.1 | Very low | 34.5 | Very low | 248 Ų | 248 | 134.7 Ų | 134.7 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | 68.4 | 152.1 | 156.5 | -67.3 | 168.9 | -179.8 | 176 | -2.9 | 117.2 | ||||
| 120 | S | 26.7 | Very low | 35 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -146.9 | 161.2 | 18.9 | -153.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 121 | S | 30.2 | Very low | 35 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | trans | -15.4 | 164.1 | 160.6 | -59 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 122 | E | 27.1 | Very low | 35.8 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | cis | -162.4 | 143.9 | -7 | -111.6 | 141.8 | 60.3 | 0 | 0 | 104.9 | ||||
| 123 | E | 30.1 | Very low | 35.2 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | 86.2 | 138.9 | 44.2 | -140 | -171.4 | 129.9 | 0 | 0 | 116.3 | ||||
| 124 | L | 30.5 | Very low | 34.3 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 72.6 | 145.7 | 174 | -51 | 176.2 | 0 | 0 | 0 | 116.9 | ||||
| 125 | A | 28.3 | Very low | 34.2 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | cis | -163.7 | 167.7 | -14.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 126 | P | 47.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -99 | -174.4 | 175.4 | 42 | -37.5 | 0 | 0 | 0 | 112.6 | ||||
| 127 | P | 49.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -137.9 | 175.7 | -3.5 | 42.3 | -25 | 0 | 0 | 0 | 117.8 | ||||
| 128 | R | 28.8 | Very low | 33.3 | Very low | 241 Ų | 241 | 133.6 Ų | 133.6 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | trans | 77.1 | 163.4 | 151.6 | -85.6 | -176.1 | 171.9 | 151.5 | 0.7 | 121 | ||||
| 129 | P | 55.1 | Low | 33.2 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -112.2 | 175.5 | -153.7 | 44.7 | -38.1 | 0 | 0 | 0 | 116.2 | ||||
| 130 | P | 37.4 | Very low | 33.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | -143.3 | -176.4 | 98.8 | 38.7 | -23 | 0 | 0 | 0 | 115.1 | |||||
| 131 | G | 29.2 | Very low | 33.4 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -92.3 | -149.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 132 | P | 45.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | cis | -136.1 | -144 | 1.1 | 39.9 | -17.8 | 0 | 0 | 0 | 112.6 | ||||
| 133 | C | 26 | Very low | 33.7 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 75 | 154.2 | 162 | -75.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 134 | S | 25.9 | Very low | 33.9 | Very low | 83 Ų | 83 | 144.9 Ų | 144.9 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | cis | -172.2 | 117.5 | -12.1 | 157.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 135 | F | 27.4 | Very low | 34.3 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 58.5 | 174.9 | 140.4 | -74.4 | -68.9 | 0 | 0 | 0 | 119.5 | ||||
| 136 | Q | 32.7 | Very low | 34.5 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | cis | -159.4 | 161.7 | 9.1 | -134.3 | 154.9 | 55.2 | 0 | 0 | 113.7 | ||||
| 137 | H | 31.7 | Very low | 33.7 | Very low | 134 Ų | 134 | 152.9 Ų | 152.9 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | trans | 71 | 158.7 | 145 | -73.4 | -28.7 | 0 | 0 | 0 | 122.3 | ||||
| 138 | F | 28.3 | Very low | 32.8 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -135.9 | 168.9 | -5.2 | -132.3 | -72.9 | 0 | 0 | 0 | 113.2 | ||||
| 139 | R | 29.6 | Very low | 32.6 | Very low | 192 Ų | 192 | 155.4 Ų | 155.4 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | trans | -83 | 160.6 | -172 | -44.8 | 164.3 | 178.3 | 159.8 | -3.9 | 116.4 | ||||
| 140 | R | 32.8 | Very low | 31.2 | Very low | 246 Ų | 246 | 155.1 Ų | 155.1 | 93% | 0.928 | 75% | 0.754 | S | S | * | * | 175 | 130.9 | 128.6 | -94.7 | 158.3 | -178.7 | -170 | 0.8 | 108.3 | |||||
| 141 | S | 29.6 | Very low | 30.7 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | 81.8 | 104.6 | 9.6 | -153.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 142 | L | 30.9 | Very low | 30.5 | Very low | 170 Ų | 170 | 154 Ų | 154 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | 175.5 | 118 | 152.7 | -92.5 | 168.3 | 0 | 0 | 0 | 105.1 | ||||
| 143 | R | 32.3 | Very low | 29.4 | Very low | 209 Ų | 209 | 157.9 Ų | 157.9 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | cis | 84.7 | 91.2 | 43.1 | -75.6 | -159.2 | 179.5 | -162.4 | 2.7 | 117 | ||||
| 144 | H | 33.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 160.1 Ų | 160.1 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 60.5 | 176.6 | 148.5 | -54.7 | -62.6 | 0 | 0 | 0 | 117.3 | ||||
| 145 | I | 37.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 161.7 Ų | 161.7 | 68% | 0.677 | 78% | 0.775 | S | S | * | * | cis | -143.6 | 155.7 | 15.5 | -41.2 | 160.3 | 0 | 0 | 0 | 106.5 | ||||
| 146 | F | 33.8 | Very low | 30.2 | Very low | 189 Ų | 189 | 157.5 Ų | 157.5 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | cis | -134.1 | 174.2 | 25.1 | -58.9 | -105.4 | 0 | 0 | 0 | 110.5 | ||||
| 147 | R | 30.5 | Very low | 29.9 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | cis | 97.5 | 119.6 | 5.4 | -148.3 | -172.7 | -166.4 | -169.3 | 6 | 118.8 | ||||
| 148 | R | 29.1 | Very low | 29.7 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 93.5 | 145.9 | 168 | -63.8 | -165.4 | -174.6 | -90.5 | 8.6 | 116.3 | ||||
| 149 | R | 24.9 | Very low | 29.8 | Very low | 215 Ų | 215 | 155 Ų | 155 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | cis | -147.5 | 172.4 | -7.7 | -143.7 | -177.8 | 174.7 | 167.2 | -5.4 | 111.2 | ||||
| 150 | S | 26.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -98.8 | 146.4 | -178.1 | 53.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 151 | A | 26.1 | Very low | 29.4 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 88% | 0.884 | 79% | 0.785 | S | S | * | * | trans | -176.8 | 159.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 152 | G | 24.6 | Very low | 29.4 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | cis | 146.7 | 100.2 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 153 | E | 23.3 | Very low | 29.2 | Very low | 202 Ų | 202 | 144 Ų | 144 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | trans | 68.7 | 177.7 | 161.1 | -70.1 | 169.8 | 105.5 | 0 | 0 | 120.2 | ||||
| 154 | L | 28.2 | Very low | 29 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -118.6 | -158.6 | -157.4 | -53.8 | 162.1 | 0 | 0 | 0 | 109.8 | ||||
| 155 | P | 42.7 | Very low | 28.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | cis | -133.2 | -166.8 | -17.5 | 32.4 | -9.5 | 0 | 0 | 0 | 114.3 | ||||
| 156 | A | 25.8 | Very low | 28.9 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 74.1 | 154.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 157 | A | 25.9 | Very low | 28.6 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | cis | -172.9 | -174.1 | -26.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 158 | H | 28.3 | Very low | 28.6 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 85.4 | 87.2 | 161.9 | -55.7 | -70.4 | 0 | 0 | 0 | 121.1 | ||||
| 159 | T | 28.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | 56.4 | 141.3 | 117.2 | 53.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 160 | A | 28.4 | Very low | 28.8 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | 71 | 131.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 161 | A | 26.8 | Very low | 28.9 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | cis | 102.8 | 151.7 | 22.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 162 | A | 28.8 | Very low | 29 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | 78.1 | 92 | 179.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 163 | L | 27 | Very low | 30 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | 35.1 | 122.4 | 114.4 | -165.4 | 75.8 | 0 | 0 | 0 | 119.8 | |||||
| 164 | G | 29 | Very low | 30.1 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 165 | 90.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 165 | T | 29 | Very low | 30.3 | Very low | 142 Ų | 142 | 124 Ų | 124 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -98.1 | 169.8 | 152.3 | 17.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 166 | P | 40.1 | Very low | 30.2 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | cis | -134.6 | -171.8 | 17.2 | 42.6 | -24.3 | 0 | 0 | 0 | 115.8 | ||||
| 167 | G | 28.3 | Very low | 30.3 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 174.6 | 132.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 168 | E | 28.6 | Very low | 30.8 | Very low | 198 Ų | 198 | 127 Ų | 127 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -80.6 | 178.6 | 173.2 | -73 | 167.4 | 80.8 | 0 | 0 | 113 | ||||
| 169 | A | 29.9 | Very low | 31.1 | Very low | 86 Ų | 86 | 123 Ų | 123 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | cis | -176.2 | 160.6 | -36.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 170 | A | 29.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 63.3 | 160.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 171 | E | 28.2 | Very low | 32 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | cis | -158.9 | 136.7 | -35.8 | -122.4 | -145.3 | 82.8 | 0 | 0 | 112.1 | ||||
| 172 | T | 28.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | 48.8 | -169 | 147.1 | 62.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 173 | P | 46.1 | Very low | 33 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | cis | -132.2 | 162.7 | -13.8 | 41.1 | -25.2 | 0 | 0 | 0 | 117.4 | ||||
| 174 | A | 25.1 | Very low | 33.3 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -163.7 | 143.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 175 | R | 31.6 | Very low | 33.4 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -147.2 | -176.3 | 175.3 | -104.4 | -179.2 | 172.2 | 177.1 | -0.4 | 106.9 | ||||
| 176 | P | 41.6 | Very low | 33.9 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | cis | -120.3 | -179.8 | 1.5 | 42.5 | -26.2 | 0 | 0 | 0 | 112.3 | ||||
| 177 | G | 27.8 | Very low | 33.7 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | 109.6 | 151 | 71.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 178 | L | 37.3 | Very low | 34 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -162.1 | 156.2 | -0.6 | -159.1 | 151.7 | 0 | 0 | 0 | 109.3 | ||||
| 179 | A | 34.1 | Very low | 34.3 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 95.5 | 142.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 180 | K | 37.6 | Very low | 34.3 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | cis | -155.8 | 122.8 | -17.7 | -115.3 | 165.8 | -169.5 | 173 | 0 | 111 | ||||
| 181 | K | 38.4 | Very low | 34.8 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | 17.5 | 119.2 | 149.8 | -57.7 | -179 | 176.8 | -173 | 0 | 119.5 | ||||
| 182 | L | 33.9 | Very low | 35.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | -137.8 | 112.4 | 128 | -85.4 | -178.1 | 0 | 0 | 0 | 110.3 | |||||
| 183 | L | 42.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | trans | -134.4 | 148.2 | 159.2 | -67.3 | 176 | 0 | 0 | 0 | 104.9 | ||||
| 184 | P | 32.5 | Very low | 38.1 | Very low | 131 Ų | 131 | 134 Ų | 134 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | -151.5 | 97.7 | 95.8 | 35.7 | -15.5 | 0 | 0 | 0 | 114.3 | |||||
| 185 | W | 31.6 | Very low | 40.2 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | trans | -153.5 | 66.1 | 152.7 | 172 | -95.6 | 0 | 0 | 0 | 107.4 | L187 | W185-L187 HydrophobicContact CD2-CB 4.17Å; W185-L187 HydrophobicContact CD2-CG 4.28Å; W185-L187 HydrophobicContact CE3-CB 4.45Å; W185-L187 HydrophobicContact CE3-CG 4.08Å; W185-L187 HydrophobicContact CH2-CB 4.33Å; W185-L187 HydrophobicContact CH2-CD1 3.33Å; W185-L187 HydrophobicContact CH2-CG 3.63Å; W185-L187 HydrophobicContact CZ2-CB 4Å; W185-L187 HydrophobicContact CZ2-CD1 3.51Å; W185-L187 HydrophobicContact CZ2-CG 3.81Å; W185-L187 HydrophobicContact CZ3-CD1 3.95Å; W185-L187 HydrophobicContact CZ3-CG 3.75Å; W185-L187 PolarHBondContact O-N 2.96Å | ||
| 186 | S | 39 | Very low | 42.6 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | trans | -84.5 | 71.1 | 152.2 | -61.3 | 0 | 0 | 0 | 0 | 106.6 | A188 | S186-A188 PolarHBondContact O-N 2.75Š| ||
| 187 | L | 35.6 | Very low | 44.9 | Very low | 113 Ų | 113 | 118 Ų | 118 | 59% | 0.592 | 64% | 0.641 | S | S | * | * | trans | -61 | 123.9 | 154.7 | -113.2 | -157.5 | 0 | 0 | 0 | 105.2 | W185 R189 | W185-L187 HydrophobicContact CD2-CB 4.17Å; W185-L187 HydrophobicContact CD2-CG 4.28Å; W185-L187 HydrophobicContact CE3-CB 4.45Å; W185-L187 HydrophobicContact CE3-CG 4.08Å; W185-L187 HydrophobicContact CH2-CB 4.33Å; W185-L187 HydrophobicContact CH2-CD1 3.33Å; W185-L187 HydrophobicContact CH2-CG 3.63Å; W185-L187 HydrophobicContact CZ2-CB 4Å; W185-L187 HydrophobicContact CZ2-CD1 3.51Å; W185-L187 HydrophobicContact CZ2-CG 3.81Å; W185-L187 HydrophobicContact CZ3-CD1 3.95Å; W185-L187 HydrophobicContact CZ3-CG 3.75Å; W185-L187 PolarHBondContact O-N 2.96Å; L187-R189 PolarHBondContact O-N 2.66Å; L187-R189 VanDerWaalsContact O-N 3.12Å | ||
| 188 | A | 35.1 | Very low | 48.1 | Very low | 77 Ų | 77 | 118 Ų | 118 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | trans | -49.9 | 124.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | S186 E190 | S186-A188 PolarHBondContact O-N 2.75Å; A188-E190 PolarHBondContact O-N 2.76Å | ||
| 189 | R | 35 | Very low | 50.7 | Low | 233 Ų | 233 | 112.1 Ų | 112.1 | 88% | 0.879 | 60% | 0.595 | S | S | * | * | trans | -64.3 | 98.9 | 153.2 | 174.8 | 173.7 | -68.3 | 170.8 | 1 | 103.7 | L187 | L187-R189 PolarHBondContact O-N 2.66Å; L187-R189 VanDerWaalsContact O-N 3.12Å | ||
| 190 | E | 30.7 | Very low | 53.6 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | trans | -41.4 | 131.2 | 166.9 | -176.2 | -177.6 | -153.4 | 0 | 0 | 107.7 | A188 P192 | A188-E190 PolarHBondContact O-N 2.76Å; E190-P192 WeakPolarHBondContact O-CD 3.33Å | ||
| 191 | P | 39.2 | Very low | 56.3 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 117.5 | 175.5 | 23.7 | -32.5 | 0 | 0 | 0 | 106.7 | P193 | P191-P193 VanDerWaalsContact O-N 3.14Š|
| 192 | P | 48.8 | Very low | 58.9 | Low | 89 Ų | 89 | 97.9 Ų | 97.9 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -58 | 125.2 | -165.6 | 21.4 | -32.8 | 0 | 0 | 0 | 108.5 | E190 E194 | E190-P192 WeakPolarHBondContact O-CD 3.33Å; P192-E194 PolarHBondContact O-N 2.93Å |
| 193 | P | 55.9 | Low | 61.8 | Low | 41 Ų | 41 | 89.7 Ų | 89.7 | 27% | 0.266 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 132.5 | -160.8 | 7.7 | -23.4 | 0 | 0 | 0 | 111.1 | P191 A195 R225 R226 | P191-P193 VanDerWaalsContact O-N 3.14Å; P193-A195 PolarHBondContact O-N 3.39Å; P193-R225 WeakPolarHBondContact O-CD 3.33Å; P193-R225 PolarHBondContact O-NH1 3.44Å; P193-R226 WeakPolarHBondContact CB-O 2.93Å |
| 194 | E | 65.9 | Low | 64.2 | Low | 123 Ų | 123 | 83.2 Ų | 83.2 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | trans | -45.1 | 109.2 | -158.5 | -69.7 | -174.3 | 141.4 | 0 | 0 | 110.9 | P192 L196 R225 R226 | P192-E194 PolarHBondContact O-N 2.93Å; E194-L196 PolarHBondContact O-N 2.71Å; E194-R225 WeakPolarHBondContact O-CA 3.48Å; E194-R226 PolarHBondContact O-N 3.2Å; E194-R226 IonicContact OE2-CZ 3.8Å; E194-R226 IonicContact OE2-NH1 2.95Å; E194-R226 PolarHBondContact OE2-NH1 3.19Å | ||
| 195 | A | 69.3 | Low | 66.9 | Low | 43 Ų | 43 | 79.6 Ų | 79.6 | 36% | 0.355 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 101.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107 | P193 K197 E198 L224 | P193-A195 PolarHBondContact O-N 3.39Å; A195-K197 PolarHBondContact O-N 2.75Å; A195-E198 HydrophobicContact CB-CB 4.2Å; A195-L224 CarbonylContact C-O 3.45Å; A195-L224 WeakPolarHBondContact CA-O 3.4Å |
| 196 | L | 82.6 | Confident | 69.4 | Low | 54 Ų | 54 | 71.5 Ų | 71.5 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | -39.3 | 166.1 | -66.4 | 173.1 | 0 | 0 | 0 | 108.7 | E194 L224 R226 R238 | E194-L196 PolarHBondContact O-N 2.71Å; L196-L224 HydrophobicContact CB-CD2 4.07Å; L196-L224 HydrophobicContact CB-CG 4.2Å; L196-L224 HydrophobicContact CD1-CD2 4.11Å; L196-L224 HydrophobicContact CD1-CG 4.15Å; L196-L224 PolarHBondContact N-O 3.46Å; L196-R226 HydrophobicContact CD1-CG 4.22Å; L196-R226 HydrophobicContact CD2-CG 4.31Å; L196-R226 HydrophobicContact CG-CG 4.23Å; L196-R238 HydrophobicContact CD1-CG 4.25Å |
| 197 | K | 91.1 | Very high | 71.2 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 143.8 | 174.6 | -172.6 | 162.5 | 179.2 | 172.4 | 0 | 113.5 | A195 A223 L224 S300 W301 E304 | A195-K197 PolarHBondContact O-N 2.75Å; K197-A223 CarbonylContact O-C 3.53Å; K197-A223 WeakPolarHBondContact O-CA 3.34Å; K197-L224 PolarHBondContact N-O 2.76Å; K197-L224 PolarHBondContact O-N 3.4Å; K197-S300 PolarHBondContact NZ-O 3.47Å; K197-S300 PolarHBondContact NZ-OG 2.86Å; K197-W301 HydrophobicContact CB-CH2 4.26Å; K197-W301 HydrophobicContact CB-CZ3 4.5Å; K197-W301 HydrophobicContact CD-CD2 4.12Å; K197-W301 HydrophobicContact CD-CE3 4.17Å; K197-W301 HydrophobicContact CD-CH2 4.22Å; K197-W301 HydrophobicContact CD-CZ2 4.17Å; K197-W301 HydrophobicContact CD-CZ3 4.22Å; K197-W301 HydrophobicContact CG-CH2 3.75Å; K197-W301 HydrophobicContact CG-CZ2 3.74Å; K197-W301 HydrophobicContact CG-CZ3 4.18Å; K197-E304 VanDerWaalsContact CB-OE1 3.23Å; K197-E304 WeakPolarHBondContact CB-OE1 3.36Å; K197-E304 WeakPolarHBondContact CD-OE1 3.43Å; K197-E304 WeakPolarHBondContact CD-OE2 3.24Å; K197-E304 WeakPolarHBondContact CE-OE2 3.35Å; K197-E304 IonicContact NZ-OE2 2.71Å; K197-E304 PolarHBondContact NZ-OE2 2.89Å |
| 198 | E | 93.4 | Very high | 72.6 | Confident | 74 Ų | 74 | 72.9 Ų | 72.9 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 125.9 | 177.8 | -174.7 | 153.4 | -159.8 | 0 | 0 | 110 | A195 R221 L222 A223 R225 | A195-E198 HydrophobicContact CB-CB 4.2Å; E198-R221 HydrophobicContact CG-CG 3.96Å; E198-R221 WeakPolarHBondContact OE1-CD 3.46Å; E198-R221 IonicContact OE1-CZ 3.48Å; E198-R221 IonicContact OE1-NE 2.67Å; E198-R221 PolarHBondContact OE1-NE 2.87Å; E198-R221 IonicContact OE1-NH2 3.4Å; E198-R221 PolarHBondContact OE1-NH2 2.69Å; E198-L222 CarbonylContact C-O 3.51Å; E198-L222 WeakPolarHBondContact CA-O 3.33Å; E198-A223 HydrophobicContact CB-CB 4.1Å; E198-A223 HydrophobicContact CG-CB 3.71Å; E198-R225 VanDerWaalsContact CD-NH2 3.29Å; E198-R225 IonicContact OE1-NH2 3.12Å; E198-R225 PolarHBondContact OE1-NH2 3.45Å; E198-R225 VanDerWaalsContact OE1-NH2 3.16Å; E198-R225 IonicContact OE2-CZ 2.71Å; E198-R225 IonicContact OE2-NH1 3.28Å; E198-R225 IonicContact OE2-NH2 3.16Å; E198-R225 PolarHBondContact OE2-NH2 3.11Å |
| 199 | A | 93.2 | Very high | 73.6 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L201 R221 L222 W301 | A199-L201 HydrophobicContact CB-CD2 4.13Å; A199-L201 HydrophobicContact CB-CG 4.4Å; A199-L201 PolarHBondContact O-N 3.05Å; A199-R221 CarbonylContact O-C 3.6Å; A199-R221 WeakPolarHBondContact O-CA 3.22Å; A199-L222 PolarHBondContact N-O 3.11Å; A199-L222 PolarHBondContact O-N 3.12Å; A199-W301 HydrophobicContact CB-CZ2 3.73Å |
| 200 | A | 94.4 | Very high | 74.6 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 51% | 0.512 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 103.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G220 | A200-G220 CarbonylContact C-O 3.41Å; A200-G220 VanDerWaalsContact CA-O 3.29Å; A200-G220 WeakPolarHBondContact CA-O 3.4Å |
| 201 | L | 94.9 | Very high | 75.8 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 162.1 | -174.3 | -59.8 | -174.8 | 0 | 0 | 0 | 112.1 | A199 R219 G220 L222 F278 F290 V292 W301 | A199-L201 HydrophobicContact CB-CD2 4.13Å; A199-L201 HydrophobicContact CB-CG 4.4Å; A199-L201 PolarHBondContact O-N 3.05Å; L201-R219 WeakPolarHBondContact O-CA 3.17Å; L201-G220 PolarHBondContact N-O 3.26Å; L201-G220 PolarHBondContact O-N 3.26Å; L201-L222 HydrophobicContact CD1-CB 4.13Å; L201-L222 HydrophobicContact CD1-CD2 4Å; L201-F278 HydrophobicContact CD1-CE1 4.43Å; L201-F278 HydrophobicContact CD1-CZ 4.48Å; L201-F290 HydrophobicContact CB-CD1 4.14Å; L201-F290 HydrophobicContact CD1-CB 4.49Å; L201-F290 HydrophobicContact CD1-CD1 3.89Å; L201-F290 HydrophobicContact CD1-CG 4.47Å; L201-V292 HydrophobicContact CD1-CG1 4.12Å; L201-V292 HydrophobicContact CD2-CB 4.45Å; L201-V292 HydrophobicContact CD2-CG1 3.94Å; L201-W301 HydrophobicContact CD1-CZ2 4.37Å |
| 202 | R | 93.5 | Very high | 76.4 | Confident | 95 Ų | 95 | 66 Ų | 66 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 146.9 | 160.8 | -82.5 | 177.5 | 62.2 | -165.6 | 0.7 | 108.7 | W217 Q218 R219 E291 | R202-W217 HydrophobicContact CB-CE3 4.08Å; R202-Q218 WeakPolarHBondContact CA-O 3.41Å; R202-R219 HydrophobicContact CG-CG 4.15Å; R202-E291 HydrophobicContact CB-CB 3.81Å; R202-E291 HydrophobicContact CB-CG 3.99Å; R202-E291 VanDerWaalsContact CD-OE1 3.3Å; R202-E291 WeakPolarHBondContact CD-OE1 3.46Å; R202-E291 VanDerWaalsContact CZ-CD 3.43Å; R202-E291 IonicContact CZ-OE1 2.79Å; R202-E291 VanDerWaalsContact CZ-OE1 3.26Å; R202-E291 IonicContact CZ-OE2 3.79Å; R202-E291 PolarHBondContact N-O 3.14Å; R202-E291 IonicContact NE-OE1 3.37Å; R202-E291 PolarHBondContact NE-OE1 2.88Å; R202-E291 IonicContact NE-OE2 3.84Å; R202-E291 PolarHBondContact NE-OE2 3.48Å; R202-E291 IonicContact NH1-OE1 3.69Å; R202-E291 PolarHBondContact NH1-OE1 3.45Å; R202-E291 IonicContact NH1-OE2 2.79Å; R202-E291 PolarHBondContact NH1-OE2 3.03Å; R202-E291 IonicContact NH2-OE2 3.93Å; R202-E291 PolarHBondContact NH2-OE2 2.73Å; R202-E291 PolarHBondContact O-N 3.28Å |
| 203 | Y | 94 | Very high | 76.9 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 157.5 | 175.3 | 82.5 | -86.7 | 0 | 0 | 0 | 112.4 | L205 W217 Q218 L242 D244 K252 I288 I289 F290 | Y203-L205 HydrophobicContact CD2-CD2 4.47Å; Y203-L205 HydrophobicContact CE2-CD2 4.06Å; Y203-L205 HydrophobicContact CE2-CG 4.41Å; Y203-W217 VanDerWaalsContact C-CE3 3.47Å; Y203-W217 CarbonylContact O-C 3.43Å; Y203-W217 WeakPolarHBondContact O-CA 3.36Å; Y203-Q218 HydrophobicContact CD1-CB 4.11Å; Y203-Q218 HydrophobicContact CE1-CB 3.69Å; Y203-Q218 HydrophobicContact CE2-CB 4.44Å; Y203-Q218 PolarHBondContact N-O 2.68Å; Y203-Q218 PolarHBondContact O-N 3.22Å; Y203-Q218 PolarHBondContact OH-OE1 2.98Å; Y203-L242 HydrophobicContact CD1-CD1 4.25Å; Y203-L242 HydrophobicContact CD1-CD2 4.4Å; Y203-L242 HydrophobicContact CD2-CD2 4.12Å; Y203-L242 HydrophobicContact CE1-CD1 4.25Å; Y203-L242 HydrophobicContact CE1-CD2 4.13Å; Y203-L242 HydrophobicContact CE1-CG 4.44Å; Y203-L242 HydrophobicContact CE2-CD2 3.83Å; Y203-L242 HydrophobicContact CG-CD2 4.37Å; Y203-D244 HydrophobicContact CE1-CB 4.21Å; Y203-D244 PolarHBondContact OH-OD2 2.76Å; Y203-K252 WeakPolarHBondContact OH-CD 3.46Å; Y203-K252 WeakPolarHBondContact OH-CE 3.27Å; Y203-K252 PolarHBondContact OH-NZ 2.8Å; Y203-I288 HydrophobicContact CD2-CG2 3.7Å; Y203-I288 HydrophobicContact CE2-CG2 4.47Å; Y203-I288 HydrophobicContact CG-CG2 4.37Å; Y203-I289 CarbonylContact C-O 3.48Å; Y203-I289 WeakPolarHBondContact CA-O 3.32Å; Y203-I289 WeakPolarHBondContact CB-O 3.21Å; Y203-F290 HydrophobicContact CG-CE1 4.32Å |
| 204 | S | 91.8 | Very high | 77.4 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 158.8 | 168.8 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | I289 | S204-I289 PolarHBondContact N-O 3.38Å; S204-I289 PolarHBondContact O-N 2.95Å |
| 205 | L | 91.1 | Very high | 77.9 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 29% | 0.293 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.2 | 169.8 | -58.3 | 178 | 0 | 0 | 0 | 107.4 | Y203 D207 S210 I288 | Y203-L205 HydrophobicContact CD2-CD2 4.47Å; Y203-L205 HydrophobicContact CE2-CD2 4.06Å; Y203-L205 HydrophobicContact CE2-CG 4.41Å; L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.38Å; L205-S210 PolarHBondContact O-OG 3.47Å; L205-I288 HydrophobicContact CD2-CD1 4.01Å; L205-I288 HydrophobicContact CD2-CG1 3.81Å; L205-I288 HydrophobicContact CD2-CG2 4.36Å |
| 206 | A | 83 | Confident | 78.6 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 85 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | D287 I289 | A206-D287 HydrophobicContact CB-CB 4.08Å; A206-D287 PolarHBondContact N-O 2.94Å; A206-I289 HydrophobicContact CB-CD1 4.45Å |
| 207 | D | 77.6 | Confident | 78.9 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | trans | -103.2 | 146.1 | 172.1 | -177.7 | 13.5 | 0 | 0 | 0 | 108.6 | L205 A209 S210 | L205-D207 VanDerWaalsContact C-N 3.34Å; L205-D207 PolarHBondContact O-N 3.38Å; D207-A209 PolarHBondContact O-N 3.37Å; D207-S210 PolarHBondContact N-OG 2.86Å; D207-S210 WeakPolarHBondContact O-CA 3.29Å; D207-S210 VanDerWaalsContact O-CB 3.3Å; D207-S210 WeakPolarHBondContact O-CB 3.34Å; D207-S210 PolarHBondContact O-N 3.36Å; D207-S210 PolarHBondContact O-OG 2.85Å | ||
| 208 | E | 63.7 | Low | 79 | Confident | 158 Ų | 158 | 72 Ų | 72 | 74% | 0.738 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -56.6 | -41.6 | -178 | -66.4 | -68.9 | 108.4 | 0 | 0 | 110.6 | S210 M211 | E208-S210 PolarHBondContact O-N 2.87Å; E208-S210 VanDerWaalsContact O-N 3.1Å; E208-M211 WeakPolarHBondContact O-CB 3.4Å; E208-M211 PolarHBondContact O-N 3.46Å |
| 209 | A | 56.3 | Low | 79 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -66.8 | -8.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D207 | D207-A209 PolarHBondContact O-N 3.37Š|
| 210 | S | 56.9 | Low | 79 | Confident | 28 Ų | 28 | 75 Ų | 75 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -88.7 | -14.5 | 175.8 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | L205 D207 E208 G214 | L205-S210 PolarHBondContact O-OG 3.47Å; D207-S210 PolarHBondContact N-OG 2.86Å; D207-S210 WeakPolarHBondContact O-CA 3.29Å; D207-S210 VanDerWaalsContact O-CB 3.3Å; D207-S210 WeakPolarHBondContact O-CB 3.34Å; D207-S210 PolarHBondContact O-N 3.36Å; D207-S210 PolarHBondContact O-OG 2.85Å; E208-S210 PolarHBondContact O-N 2.87Å; E208-S210 VanDerWaalsContact O-N 3.1Å; S210-G214 CarbonylContact O-C 3.6Å; S210-G214 PolarHBondContact O-N 2.94Å |
| 211 | M | 54.3 | Low | 79 | Confident | 136 Ų | 136 | 74.3 Ų | 74.3 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -48.6 | 178.1 | -66.7 | -66.5 | 177.3 | 0 | 0 | 111.7 | E208 S213 | E208-M211 WeakPolarHBondContact O-CB 3.4Å; E208-M211 PolarHBondContact O-N 3.46Å; M211-S213 VanDerWaalsContact C-N 3.33Å; M211-S213 PolarHBondContact O-N 3.43Å |
| 212 | D | 53 | Low | 79.1 | Confident | 158 Ų | 158 | 74.1 Ų | 74.1 | 85% | 0.845 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.3 | -177.6 | -64 | -34.9 | 0 | 0 | 0 | 113.9 | ||
| 213 | S | 60 | Low | 79.1 | Confident | 108 Ų | 108 | 69.6 Ų | 69.6 | 76% | 0.755 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -7.7 | -174.8 | -64.6 | 0 | 0 | 0 | 0 | 114.2 | M211 | M211-S213 VanDerWaalsContact C-N 3.33Å; M211-S213 PolarHBondContact O-N 3.43Å |
| 214 | G | 65.5 | Low | 79 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | trans | 76.6 | 159.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S210 R216 | S210-G214 CarbonylContact O-C 3.6Å; S210-G214 PolarHBondContact O-N 2.94Å; G214-R216 PolarHBondContact O-N 2.99Å | ||
| 215 | A | 75.6 | Confident | 78.9 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | trans | -60.6 | 108.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W217 | A215-W217 HydrophobicContact CB-CZ2 4.24Å; A215-W217 PolarHBondContact O-N 3.3Å; A215-W217 PolarHBondContact O-NE1 3.28Å | ||
| 216 | R | 85.1 | Confident | 78.5 | Confident | 200 Ų | 200 | 72.9 Ų | 72.9 | 76% | 0.755 | 38% | 0.376 | S | S | * | . | trans | -78.2 | 85.2 | 179.1 | -171.5 | -175.9 | 174.2 | -175.6 | -0.8 | 112.3 | G214 Q218 | G214-R216 PolarHBondContact O-N 2.99Å; R216-Q218 PolarHBondContact O-N 3.33Å; R216-Q218 PolarHBondContact O-NE2 2.94Å | ||
| 217 | W | 89.3 | Confident | 78.1 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 27% | 0.265 | 37% | 0.373 | S | S | . | . | trans | -60.8 | 127.7 | 177.9 | -64 | 99.7 | 0 | 0 | 0 | 113.8 | R202 Y203 A215 M271 I289 E291 | R202-W217 HydrophobicContact CB-CE3 4.08Å; Y203-W217 VanDerWaalsContact C-CE3 3.47Å; Y203-W217 CarbonylContact O-C 3.43Å; Y203-W217 WeakPolarHBondContact O-CA 3.36Å; A215-W217 HydrophobicContact CB-CZ2 4.24Å; A215-W217 PolarHBondContact O-N 3.3Å; A215-W217 PolarHBondContact O-NE1 3.28Å; W217-M271 HydrophobicContact CH2-CE 4.27Å; W217-M271 HydrophobicContact CH2-SD 4.06Å; W217-M271 HydrophobicContact CZ2-CE 3.65Å; W217-M271 HydrophobicContact CZ2-SD 3.69Å; W217-I289 HydrophobicContact CH2-CG2 3.93Å; W217-E291 HydrophobicContact CE3-CB 4.39Å; W217-E291 HydrophobicContact CH2-CB 4.08Å; W217-E291 HydrophobicContact CZ3-CB 3.71Å | ||
| 218 | Q | 92.7 | Very high | 77.2 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 166.4 | 170.4 | -74.1 | 149.6 | 78.3 | 0 | 0 | 108.8 | R202 Y203 R216 | R202-Q218 WeakPolarHBondContact CA-O 3.41Å; Y203-Q218 HydrophobicContact CD1-CB 4.11Å; Y203-Q218 HydrophobicContact CE1-CB 3.69Å; Y203-Q218 HydrophobicContact CE2-CB 4.44Å; Y203-Q218 PolarHBondContact N-O 2.68Å; Y203-Q218 PolarHBondContact O-N 3.22Å; Y203-Q218 PolarHBondContact OH-OE1 2.98Å; R216-Q218 PolarHBondContact O-N 3.33Å; R216-Q218 PolarHBondContact O-NE2 2.94Å |
| 219 | R | 92.6 | Very high | 77.1 | Confident | 167 Ų | 167 | 69 Ų | 69 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 120 | 171.8 | -70.8 | -176.4 | 70 | -174.6 | 3.9 | 108.4 | L201 R202 P246 | L201-R219 WeakPolarHBondContact O-CA 3.17Å; R202-R219 HydrophobicContact CG-CG 4.15Å; R219-P246 HydrophobicContact CB-CG 3.99Å; R219-P246 VanDerWaalsContact O-CD 3.23Å; R219-P246 WeakPolarHBondContact O-CD 3Å; R219-P246 VanDerWaalsContact O-CG 3.27Å; R219-P246 WeakPolarHBondContact O-CG 3.49Å |
| 220 | G | 93.8 | Very high | 77 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 172.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A200 L201 F243 | A200-G220 CarbonylContact C-O 3.41Å; A200-G220 VanDerWaalsContact CA-O 3.29Å; A200-G220 WeakPolarHBondContact CA-O 3.4Å; L201-G220 PolarHBondContact N-O 3.26Å; L201-G220 PolarHBondContact O-N 3.26Å; G220-F243 CarbonylContact C-O 3.59Å; G220-F243 WeakPolarHBondContact CA-O 3.22Å |
| 221 | R | 95.1 | Very high | 76.8 | Confident | 49 Ų | 49 | 74.1 Ų | 74.1 | 19% | 0.185 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.7 | 159.9 | -168.6 | 179.1 | 79.2 | -113.2 | 0.3 | 106.6 | E198 A199 F243 P246 S248 | E198-R221 HydrophobicContact CG-CG 3.96Å; E198-R221 WeakPolarHBondContact OE1-CD 3.46Å; E198-R221 IonicContact OE1-CZ 3.48Å; E198-R221 IonicContact OE1-NE 2.67Å; E198-R221 PolarHBondContact OE1-NE 2.87Å; E198-R221 IonicContact OE1-NH2 3.4Å; E198-R221 PolarHBondContact OE1-NH2 2.69Å; A199-R221 CarbonylContact O-C 3.6Å; A199-R221 WeakPolarHBondContact O-CA 3.22Å; R221-F243 HydrophobicContact CB-CB 4.2Å; R221-F243 PolarHBondContact N-O 3.27Å; R221-F243 VanDerWaalsContact NH2-CE2 3.31Å; R221-F243 VanDerWaalsContact NH2-CG 3.28Å; R221-F243 PolarHBondContact O-N 3.39Å; R221-P246 HydrophobicContact CB-CB 4.08Å; R221-P246 WeakPolarHBondContact CD-O 3.18Å; R221-P246 PolarHBondContact NH1-O 3.11Å; R221-S248 PolarHBondContact NH1-O 3.31Å; R221-S248 VanDerWaalsContact NH1-O 3.13Å |
| 222 | L | 95.4 | Very high | 76.9 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.6 | 175.2 | -172.4 | 65 | 0 | 0 | 0 | 107.5 | E198 A199 L201 L240 E241 L242 F278 F290 W301 | E198-L222 CarbonylContact C-O 3.51Å; E198-L222 WeakPolarHBondContact CA-O 3.33Å; A199-L222 PolarHBondContact N-O 3.11Å; A199-L222 PolarHBondContact O-N 3.12Å; L201-L222 HydrophobicContact CD1-CB 4.13Å; L201-L222 HydrophobicContact CD1-CD2 4Å; L222-L240 HydrophobicContact CD1-CD1 3.76Å; L222-L240 HydrophobicContact CD1-CD2 4.47Å; L222-L240 HydrophobicContact CD1-CG 4.04Å; L222-L240 HydrophobicContact CG-CD1 4.13Å; L222-E241 CarbonylContact C-O 3.59Å; L222-E241 WeakPolarHBondContact CA-O 3.45Å; L222-L242 HydrophobicContact CD1-CB 4.4Å; L222-L242 HydrophobicContact CD1-CD1 4.41Å; L222-F278 HydrophobicContact CD2-CZ 4.02Å; L222-F290 HydrophobicContact CB-CE1 4.22Å; L222-F290 HydrophobicContact CD1-CE1 4.11Å; L222-F290 HydrophobicContact CD1-CZ 3.78Å; L222-F290 HydrophobicContact CD2-CD1 4.25Å; L222-F290 HydrophobicContact CD2-CE1 3.98Å; L222-F290 HydrophobicContact CD2-CE2 4.39Å; L222-F290 HydrophobicContact CD2-CZ 4.04Å; L222-F290 HydrophobicContact CG-CE1 4.34Å; L222-F290 HydrophobicContact CG-CZ 4.41Å; L222-W301 HydrophobicContact CB-CH2 4.02Å; L222-W301 HydrophobicContact CB-CZ2 4.33Å; L222-W301 HydrophobicContact CD2-CD2 4.39Å; L222-W301 HydrophobicContact CD2-CE3 3.92Å; L222-W301 HydrophobicContact CD2-CH2 3.89Å; L222-W301 HydrophobicContact CD2-CZ2 4.35Å; L222-W301 HydrophobicContact CD2-CZ3 3.66Å; L222-W301 HydrophobicContact CG-CH2 3.82Å; L222-W301 HydrophobicContact CG-CZ2 4.49Å; L222-W301 HydrophobicContact CG-CZ3 3.9Å; L222-W301 WeakPolarHBondContact O-CH2 3.35Å |
| 223 | A | 93.6 | Very high | 76.8 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.7 | 180 | 0 | 0 | 0 | 0 | 0 | 110.3 | K197 E198 E241 F243 | K197-A223 CarbonylContact O-C 3.53Å; K197-A223 WeakPolarHBondContact O-CA 3.34Å; E198-A223 HydrophobicContact CB-CB 4.1Å; E198-A223 HydrophobicContact CG-CB 3.71Å; A223-E241 HydrophobicContact CB-CB 4.39Å; A223-E241 PolarHBondContact N-O 2.69Å; A223-E241 PolarHBondContact O-N 3.17Å; A223-F243 HydrophobicContact CB-CE2 4.28Å |
| 224 | L | 92.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.9 | 174.3 | 174.2 | 67.7 | 0 | 0 | 0 | 107.9 | A195 L196 K197 R238 L240 E304 C308 | A195-L224 CarbonylContact C-O 3.45Å; A195-L224 WeakPolarHBondContact CA-O 3.4Å; L196-L224 HydrophobicContact CB-CD2 4.07Å; L196-L224 HydrophobicContact CB-CG 4.2Å; L196-L224 HydrophobicContact CD1-CD2 4.11Å; L196-L224 HydrophobicContact CD1-CG 4.15Å; L196-L224 PolarHBondContact N-O 3.46Å; K197-L224 PolarHBondContact N-O 2.76Å; K197-L224 PolarHBondContact O-N 3.4Å; L224-R238 HydrophobicContact CD1-CB 4.17Å; L224-L240 HydrophobicContact CB-CD1 4.32Å; L224-L240 HydrophobicContact CD1-CD1 4.38Å; L224-E304 HydrophobicContact CD2-CB 4.04Å; L224-E304 HydrophobicContact CD2-CG 4.46Å; L224-C308 VanDerWaalsContact CD2-SG 3.5Å |
| 225 | R | 89.3 | Confident | 76.2 | Confident | 25 Ų | 25 | 71 Ų | 71 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151.8 | -176.9 | -58.1 | -170.6 | -174.8 | -68.8 | -18.8 | 111.7 | P193 E194 E198 R238 V239 E241 | P193-R225 WeakPolarHBondContact O-CD 3.33Å; P193-R225 PolarHBondContact O-NH1 3.44Å; E194-R225 WeakPolarHBondContact O-CA 3.48Å; E198-R225 VanDerWaalsContact CD-NH2 3.29Å; E198-R225 IonicContact OE1-NH2 3.12Å; E198-R225 PolarHBondContact OE1-NH2 3.45Å; E198-R225 VanDerWaalsContact OE1-NH2 3.16Å; E198-R225 IonicContact OE2-CZ 2.71Å; E198-R225 IonicContact OE2-NH1 3.28Å; E198-R225 IonicContact OE2-NH2 3.16Å; E198-R225 PolarHBondContact OE2-NH2 3.11Å; R225-R238 CarbonylContact O-C 3.57Å; R225-R238 WeakPolarHBondContact O-CA 3.35Å; R225-V239 PolarHBondContact N-O 3.23Å; R225-V239 PolarHBondContact O-N 3.4Å; R225-E241 WeakPolarHBondContact CD-OE2 3.29Å; R225-E241 IonicContact CZ-OE2 2.69Å; R225-E241 IonicContact NE-OE2 3.21Å; R225-E241 PolarHBondContact NE-OE2 2.86Å; R225-E241 IonicContact NH2-OE2 2.8Å |
| 226 | R | 84 | Confident | 75.5 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.4 | 159.4 | -67.2 | 175.1 | 168.5 | 152.6 | -2 | 109.1 | P193 E194 L196 | P193-R226 WeakPolarHBondContact CB-O 2.93Å; E194-R226 PolarHBondContact O-N 3.2Å; E194-R226 IonicContact OE2-CZ 3.8Å; E194-R226 IonicContact OE2-NH1 2.95Å; E194-R226 PolarHBondContact OE2-NH1 3.19Å; L196-R226 HydrophobicContact CD1-CG 4.22Å; L196-R226 HydrophobicContact CD2-CG 4.31Å; L196-R226 HydrophobicContact CG-CG 4.23Å |
| 227 | A | 73.8 | Confident | 74.9 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 131.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G229 D237 V239 | A227-G229 PolarHBondContact O-N 3.21Å; A227-D237 HydrophobicContact CB-CB 4.42Å; A227-D237 WeakPolarHBondContact CB-O 3.22Å; A227-D237 PolarHBondContact N-O 3.09Å; A227-V239 HydrophobicContact CB-CG2 4.2Å |
| 228 | P | 59.9 | Low | 74.8 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 61% | 0.61 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 117.4 | 172.4 | 28.2 | -31.6 | 0 | 0 | 0 | 110 | ||
| 229 | G | 60.7 | Low | 74.7 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 79% | 0.794 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.7 | -2.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117 | A227 D231 | A227-G229 PolarHBondContact O-N 3.21Å; G229-D231 PolarHBondContact O-N 2.73Å |
| 230 | S | 54.6 | Low | 74.7 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | trans | -97.4 | 64.7 | -177.7 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | G232 P236 D237 | S230-G232 PolarHBondContact O-N 2.79Å; S230-P236 WeakPolarHBondContact OG-CA 3.49Å; S230-D237 PolarHBondContact OG-N 3.03Å | ||
| 231 | D | 53.2 | Low | 74.7 | Confident | 174 Ų | 174 | 56.4 Ų | 56.4 | 93% | 0.93 | 34% | 0.344 | S | S | * | . | trans | -85.9 | 45 | 164.7 | -69.9 | -43.8 | 0 | 0 | 0 | 110.5 | G229 | G229-D231 PolarHBondContact O-N 2.73Š| ||
| 232 | G | 55.1 | Low | 74.7 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -91.8 | 164.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S230 D234 G235 | S230-G232 PolarHBondContact O-N 2.79Å; G232-D234 PolarHBondContact O-N 2.98Å; G232-G235 PolarHBondContact O-N 2.99Å; G232-G235 VanDerWaalsContact O-N 3.08Å |
| 233 | P | 51.6 | Low | 74.6 | Confident | 139 Ų | 139 | 54.6 Ų | 54.6 | 90% | 0.903 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.9 | -179 | 26.2 | -34.6 | 0 | 0 | 0 | 113.7 | G235 | P233-G235 PolarHBondContact O-N 3.26Š|
| 234 | D | 55.1 | Low | 74.5 | Confident | 166 Ų | 166 | 56.8 Ų | 56.8 | 89% | 0.888 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 3.4 | 176.8 | -58.8 | -54.6 | 0 | 0 | 0 | 113.8 | G232 | G232-D234 PolarHBondContact O-N 2.98Š|
| 235 | G | 58.2 | Low | 74.2 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | trans | 85.1 | -174.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G232 P233 D237 | G232-G235 PolarHBondContact O-N 2.99Å; G232-G235 VanDerWaalsContact O-N 3.08Å; P233-G235 PolarHBondContact O-N 3.26Å; G235-D237 PolarHBondContact O-N 3.05Å | ||
| 236 | P | 61 | Low | 74.2 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 119.1 | -174.5 | 28.6 | -33.6 | 0 | 0 | 0 | 111 | S230 R238 | S230-P236 WeakPolarHBondContact OG-CA 3.49Å; P236-R238 WeakPolarHBondContact O-CG 3.13Å; P236-R238 PolarHBondContact O-N 3.31Å |
| 237 | D | 71.3 | Confident | 74.4 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 40% | 0.401 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 120.6 | 175.5 | -164.4 | 11.3 | 0 | 0 | 0 | 108.6 | A227 S230 G235 | A227-D237 HydrophobicContact CB-CB 4.42Å; A227-D237 WeakPolarHBondContact CB-O 3.22Å; A227-D237 PolarHBondContact N-O 3.09Å; S230-D237 PolarHBondContact OG-N 3.03Å; G235-D237 PolarHBondContact O-N 3.05Å |
| 238 | R | 87.1 | Confident | 75.1 | Confident | 32 Ų | 32 | 66 Ų | 66 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.6 | -173.2 | -63.5 | 178.7 | -170 | -167.6 | 7.6 | 109.7 | L196 L224 R225 P236 C257 E307 C308 | L196-R238 HydrophobicContact CD1-CG 4.25Å; L224-R238 HydrophobicContact CD1-CB 4.17Å; R225-R238 CarbonylContact O-C 3.57Å; R225-R238 WeakPolarHBondContact O-CA 3.35Å; P236-R238 WeakPolarHBondContact O-CG 3.13Å; P236-R238 PolarHBondContact O-N 3.31Å; R238-C257 HydrophobicContact CB-CB 4.18Å; R238-C257 WeakPolarHBondContact O-CB 3.5Å; R238-C257 PolarHBondContact O-N 3.01Å; R238-C257 PolarHBondContact O-SG 2.91Å; R238-E307 IonicContact CZ-OE1 2.68Å; R238-E307 IonicContact CZ-OE2 3.05Å; R238-E307 IonicContact NH1-OE1 3.29Å; R238-E307 PolarHBondContact NH1-OE1 2.85Å; R238-E307 IonicContact NH1-OE2 3.26Å; R238-E307 PolarHBondContact NH1-OE2 3.21Å; R238-E307 VanDerWaalsContact NH2-CD 3.29Å; R238-E307 IonicContact NH2-OE1 3.33Å; R238-E307 PolarHBondContact NH2-OE1 2.8Å; R238-E307 IonicContact NH2-OE2 2.69Å; R238-C308 HydrophobicContact CB-CB 4.45Å; R238-C308 WeakPolarHBondContact CD-SG 3.25Å; R238-C308 PolarHBondContact NH1-SG 3.01Å |
| 239 | V | 90.9 | Very high | 76.3 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.4 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | R225 A227 E241 Q254 | R225-V239 PolarHBondContact N-O 3.23Å; R225-V239 PolarHBondContact O-N 3.4Å; A227-V239 HydrophobicContact CB-CG2 4.2Å; V239-E241 HydrophobicContact CG1-CG 4.21Å; V239-Q254 HydrophobicContact CG1-CG 3.69Å |
| 240 | L | 92.6 | Very high | 77.5 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.7 | 176.1 | -170.5 | 65.1 | 0 | 0 | 0 | 110.1 | L222 L224 Q254 A255 I260 L280 L305 | L222-L240 HydrophobicContact CD1-CD1 3.76Å; L222-L240 HydrophobicContact CD1-CD2 4.47Å; L222-L240 HydrophobicContact CD1-CG 4.04Å; L222-L240 HydrophobicContact CG-CD1 4.13Å; L224-L240 HydrophobicContact CB-CD1 4.32Å; L224-L240 HydrophobicContact CD1-CD1 4.38Å; L240-Q254 WeakPolarHBondContact O-CA 3.4Å; L240-A255 PolarHBondContact N-O 3.28Å; L240-A255 PolarHBondContact O-N 2.77Å; L240-I260 HydrophobicContact CD2-CD1 3.93Å; L240-L280 HydrophobicContact CD2-CD1 3.95Å; L240-L280 HydrophobicContact CD2-CD2 3.55Å; L240-L280 HydrophobicContact CD2-CG 4.4Å; L240-L305 HydrophobicContact CD1-CD2 3.67Å; L240-L305 HydrophobicContact CD2-CD2 3.84Å; L240-L305 HydrophobicContact CG-CD2 4.4Å |
| 241 | E | 94.1 | Very high | 79.3 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 9% | 0.089 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.1 | -175.5 | -54.9 | -166 | 120.8 | 0 | 0 | 111.3 | L222 A223 R225 V239 F243 P251 L253 Q254 | L222-E241 CarbonylContact C-O 3.59Å; L222-E241 WeakPolarHBondContact CA-O 3.45Å; A223-E241 HydrophobicContact CB-CB 4.39Å; A223-E241 PolarHBondContact N-O 2.69Å; A223-E241 PolarHBondContact O-N 3.17Å; R225-E241 WeakPolarHBondContact CD-OE2 3.29Å; R225-E241 IonicContact CZ-OE2 2.69Å; R225-E241 IonicContact NE-OE2 3.21Å; R225-E241 PolarHBondContact NE-OE2 2.86Å; R225-E241 IonicContact NH2-OE2 2.8Å; V239-E241 HydrophobicContact CG1-CG 4.21Å; E241-F243 HydrophobicContact CB-CD2 4.21Å; E241-F243 HydrophobicContact CB-CE2 3.52Å; E241-F243 HydrophobicContact CB-CZ 4.15Å; E241-F243 HydrophobicContact CG-CE2 4.38Å; E241-F243 WeakPolarHBondContact OE2-CE2 3.04Å; E241-F243 VanDerWaalsContact OE2-CZ 3.28Å; E241-F243 WeakPolarHBondContact OE2-CZ 3.29Å; E241-P251 HydrophobicContact CB-CB 4.2Å; E241-L253 CarbonylContact C-O 3.58Å; E241-L253 WeakPolarHBondContact CA-O 3.15Å; E241-Q254 HydrophobicContact CG-CG 4.31Å; E241-Q254 PolarHBondContact OE1-NE2 3.3Å |
| 242 | L | 94.6 | Very high | 81 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.9 | 171.9 | 179.8 | 60.2 | 0 | 0 | 0 | 109.9 | Y203 L222 P251 K252 L253 I288 F290 | Y203-L242 HydrophobicContact CD1-CD1 4.25Å; Y203-L242 HydrophobicContact CD1-CD2 4.4Å; Y203-L242 HydrophobicContact CD2-CD2 4.12Å; Y203-L242 HydrophobicContact CE1-CD1 4.25Å; Y203-L242 HydrophobicContact CE1-CD2 4.13Å; Y203-L242 HydrophobicContact CE1-CG 4.44Å; Y203-L242 HydrophobicContact CE2-CD2 3.83Å; Y203-L242 HydrophobicContact CG-CD2 4.37Å; L222-L242 HydrophobicContact CD1-CB 4.4Å; L222-L242 HydrophobicContact CD1-CD1 4.41Å; L242-P251 CarbonylContact O-C 3.52Å; L242-K252 PolarHBondContact O-N 2.94Å; L242-L253 HydrophobicContact CB-CB 4.12Å; L242-L253 PolarHBondContact N-O 2.77Å; L242-L253 PolarHBondContact O-N 3.19Å; L242-I288 HydrophobicContact CD2-CD1 4.11Å; L242-F290 HydrophobicContact CD1-CE1 3.78Å; L242-F290 HydrophobicContact CD1-CZ 4.05Å; L242-F290 HydrophobicContact CD2-CE1 4.42Å; L242-F290 HydrophobicContact CD2-CZ 4.03Å |
| 243 | F | 94.3 | Very high | 82.6 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 4% | 0.039 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121 | 176.4 | -59.4 | -101.3 | 0 | 0 | 0 | 110.7 | G220 R221 A223 E241 P245 S248 R250 P251 | G220-F243 CarbonylContact C-O 3.59Å; G220-F243 WeakPolarHBondContact CA-O 3.22Å; R221-F243 HydrophobicContact CB-CB 4.2Å; R221-F243 PolarHBondContact N-O 3.27Å; R221-F243 VanDerWaalsContact NH2-CE2 3.31Å; R221-F243 VanDerWaalsContact NH2-CG 3.28Å; R221-F243 PolarHBondContact O-N 3.39Å; A223-F243 HydrophobicContact CB-CE2 4.28Å; E241-F243 HydrophobicContact CB-CD2 4.21Å; E241-F243 HydrophobicContact CB-CE2 3.52Å; E241-F243 HydrophobicContact CB-CZ 4.15Å; E241-F243 HydrophobicContact CG-CE2 4.38Å; E241-F243 WeakPolarHBondContact OE2-CE2 3.04Å; E241-F243 VanDerWaalsContact OE2-CZ 3.28Å; E241-F243 WeakPolarHBondContact OE2-CZ 3.29Å; F243-P245 CarbonylContact C-O 3.56Å; F243-P245 CarbonylContact O-C 3.57Å; F243-S248 VanDerWaalsContact CD1-O 3.23Å; F243-S248 WeakPolarHBondContact CD1-O 3.48Å; F243-R250 VanDerWaalsContact CD1-C 3.43Å; F243-R250 WeakPolarHBondContact CD1-O 2.95Å; F243-P251 HydrophobicContact CD1-CB 4.26Å; F243-P251 HydrophobicContact CE1-CB 4.11Å; F243-P251 HydrophobicContact CE1-CG 4.41Å; F243-P251 HydrophobicContact CE2-CB 4.46Å; F243-P251 HydrophobicContact CZ-CB 4.2Å |
| 244 | D | 90.6 | Very high | 84.5 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -130.7 | 121.5 | 172.1 | 170.6 | 35.1 | 0 | 0 | 0 | 108.4 | Y203 K252 | Y203-D244 HydrophobicContact CE1-CB 4.21Å; Y203-D244 PolarHBondContact OH-OD2 2.76Å; D244-K252 HydrophobicContact CB-CB 4.47Å; D244-K252 HydrophobicContact CB-CD 3.68Å; D244-K252 IonicContact OD2-NZ 2.62Å; D244-K252 PolarHBondContact OD2-NZ 2.71Å |
| 245 | P | 86.8 | Confident | 86.2 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | S | Bend | cis | -67.6 | 166.6 | -1.3 | 29.6 | -36.8 | 0 | 0 | 0 | 113 | F243 K247 S248 | F243-P245 CarbonylContact C-O 3.56Å; F243-P245 CarbonylContact O-C 3.57Å; P245-K247 PolarHBondContact O-N 3.31Å; P245-S248 WeakPolarHBondContact O-CB 3.36Å; P245-S248 PolarHBondContact O-N 2.89Å |
| 246 | P | 88.3 | Confident | 87.7 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -0.8 | -173.7 | -23.1 | 34.7 | 0 | 0 | 0 | 116 | R219 R221 | R219-P246 HydrophobicContact CB-CG 3.99Å; R219-P246 VanDerWaalsContact O-CD 3.23Å; R219-P246 WeakPolarHBondContact O-CD 3Å; R219-P246 VanDerWaalsContact O-CG 3.27Å; R219-P246 WeakPolarHBondContact O-CG 3.49Å; R221-P246 HydrophobicContact CB-CB 4.08Å; R221-P246 WeakPolarHBondContact CD-O 3.18Å; R221-P246 PolarHBondContact NH1-O 3.11Å |
| 247 | K | 88.2 | Confident | 89 | Confident | 202 Ų | 202 | 57.8 Ų | 57.8 | 88% | 0.878 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 7.4 | 175.1 | -63.7 | -172.4 | 177.7 | -175.5 | 0 | 113.2 | P245 | P245-K247 PolarHBondContact O-N 3.31Š|
| 248 | S | 88.3 | Confident | 89.6 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | trans | -61.6 | 145.5 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | R221 F243 P245 R250 | R221-S248 PolarHBondContact NH1-O 3.31Å; R221-S248 VanDerWaalsContact NH1-O 3.13Å; F243-S248 VanDerWaalsContact CD1-O 3.23Å; F243-S248 WeakPolarHBondContact CD1-O 3.48Å; P245-S248 WeakPolarHBondContact O-CB 3.36Å; P245-S248 PolarHBondContact O-N 2.89Å; S248-R250 WeakPolarHBondContact CB-O 3.33Å; S248-R250 PolarHBondContact OG-N 3.46Å; S248-R250 VanDerWaalsContact OG-N 3.08Å; S248-R250 PolarHBondContact OG-O 3.2Å | ||
| 249 | S | 85.6 | Confident | 89.7 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -89.3 | -7.9 | 169.7 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 250 | R | 87.1 | Confident | 89.7 | Confident | 199 Ų | 199 | 58 Ų | 58 | 75% | 0.751 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -122.8 | 133.9 | 174.2 | -69.9 | -177.1 | 174.3 | 177.5 | -2.6 | 110.4 | F243 S248 | F243-R250 VanDerWaalsContact CD1-C 3.43Å; F243-R250 WeakPolarHBondContact CD1-O 2.95Å; S248-R250 WeakPolarHBondContact CB-O 3.33Å; S248-R250 PolarHBondContact OG-N 3.46Å; S248-R250 VanDerWaalsContact OG-N 3.08Å; S248-R250 PolarHBondContact OG-O 3.2Å |
| 251 | P | 90.6 | Very high | 89.6 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | trans | -70.6 | 148.2 | 175 | 29 | -33.4 | 0 | 0 | 0 | 111.4 | E241 L242 F243 L253 Q254 | E241-P251 HydrophobicContact CB-CB 4.2Å; L242-P251 CarbonylContact O-C 3.52Å; F243-P251 HydrophobicContact CD1-CB 4.26Å; F243-P251 HydrophobicContact CE1-CB 4.11Å; F243-P251 HydrophobicContact CE1-CG 4.41Å; F243-P251 HydrophobicContact CE2-CB 4.46Å; F243-P251 HydrophobicContact CZ-CB 4.2Å; P251-L253 WeakPolarHBondContact CB-O 3.49Å; P251-Q254 HydrophobicContact CB-CB 4.38Å; P251-Q254 HydrophobicContact CG-CB 3.93Å; P251-Q254 HydrophobicContact CG-CG 4.47Å | ||
| 252 | K | 89.9 | Confident | 89.4 | Confident | 110 Ų | 110 | 66 Ų | 66 | 48% | 0.478 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -85 | -31 | 171 | 178.7 | 174.5 | 172.7 | 174.3 | 0 | 111.4 | Y203 L242 D244 | Y203-K252 WeakPolarHBondContact OH-CD 3.46Å; Y203-K252 WeakPolarHBondContact OH-CE 3.27Å; Y203-K252 PolarHBondContact OH-NZ 2.8Å; L242-K252 PolarHBondContact O-N 2.94Å; D244-K252 HydrophobicContact CB-CB 4.47Å; D244-K252 HydrophobicContact CB-CD 3.68Å; D244-K252 IonicContact OD2-NZ 2.62Å; D244-K252 PolarHBondContact OD2-NZ 2.71Å |
| 253 | L | 89.2 | Confident | 89.4 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.1 | 163.9 | -180 | 74.5 | 0 | 0 | 0 | 108.6 | E241 L242 P251 V282 R285 I288 | E241-L253 CarbonylContact C-O 3.58Å; E241-L253 WeakPolarHBondContact CA-O 3.15Å; L242-L253 HydrophobicContact CB-CB 4.12Å; L242-L253 PolarHBondContact N-O 2.77Å; L242-L253 PolarHBondContact O-N 3.19Å; P251-L253 WeakPolarHBondContact CB-O 3.49Å; L253-V282 HydrophobicContact CD2-CG2 4.32Å; L253-R285 HydrophobicContact CD1-CG 3.99Å; L253-I288 HydrophobicContact CD2-CD1 3.79Å |
| 254 | Q | 91.5 | Very high | 89.4 | Confident | 114 Ų | 114 | 68.3 Ų | 68.3 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.5 | 166.3 | -173.2 | 177 | 62.4 | 0 | 0 | 107.1 | V239 L240 E241 P251 | V239-Q254 HydrophobicContact CG1-CG 3.69Å; L240-Q254 WeakPolarHBondContact O-CA 3.4Å; E241-Q254 HydrophobicContact CG-CG 4.31Å; E241-Q254 PolarHBondContact OE1-NE2 3.3Å; P251-Q254 HydrophobicContact CB-CB 4.38Å; P251-Q254 HydrophobicContact CG-CB 3.93Å; P251-Q254 HydrophobicContact CG-CG 4.47Å |
| 255 | A | 90.2 | Very high | 89.6 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L240 V282 | L240-A255 PolarHBondContact N-O 3.28Å; L240-A255 PolarHBondContact O-N 2.77Å; A255-V282 HydrophobicContact CB-CG1 3.79Å |
| 256 | A | 89.4 | Confident | 89.7 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 143.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S258 S259 | A256-S258 PolarHBondContact O-N 2.86Å; A256-S259 WeakPolarHBondContact O-CB 3.04Å; A256-S259 PolarHBondContact O-N 3.33Å; A256-S259 PolarHBondContact O-OG 3.3Å |
| 257 | C | 87.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -68.1 | -23.8 | -175.9 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | R238 S259 I260 C308 | R238-C257 HydrophobicContact CB-CB 4.18Å; R238-C257 WeakPolarHBondContact O-CB 3.5Å; R238-C257 PolarHBondContact O-N 3.01Å; R238-C257 PolarHBondContact O-SG 2.91Å; C257-S259 PolarHBondContact O-N 3.29Å; C257-I260 HydrophobicContact CB-CD1 3.99Å; C257-I260 WeakPolarHBondContact O-CB 3.39Å; C257-I260 PolarHBondContact O-N 2.9Å; C257-I260 VanDerWaalsContact O-N 3.08Å; C257-C308 HydrophobicContact CB-CB 3.55Å; C257-C308 WeakPolarHBondContact CB-O 3.21Å |
| 258 | S | 85.4 | Confident | 89 | Confident | 94 Ų | 94 | 63.4 Ų | 63.4 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -59.2 | -19.1 | 166.2 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | A256 | A256-S258 PolarHBondContact O-N 2.86Š|
| 259 | S | 88.6 | Confident | 88.5 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -91.2 | -4.1 | 174.9 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | A256 C257 Q261 K283 | A256-S259 WeakPolarHBondContact O-CB 3.04Å; A256-S259 PolarHBondContact O-N 3.33Å; A256-S259 PolarHBondContact O-OG 3.3Å; C257-S259 PolarHBondContact O-N 3.29Å; S259-Q261 PolarHBondContact O-N 3.34Å; S259-K283 WeakPolarHBondContact O-CB 3.37Å; S259-K283 PolarHBondContact O-N 2.81Å |
| 260 | I | 91 | Very high | 88.3 | Confident | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.062 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.1 | 176.2 | -59.2 | 169 | 0 | 0 | 0 | 108.5 | L240 C257 V263 L280 V282 T309 | L240-I260 HydrophobicContact CD2-CD1 3.93Å; C257-I260 HydrophobicContact CB-CD1 3.99Å; C257-I260 WeakPolarHBondContact O-CB 3.39Å; C257-I260 PolarHBondContact O-N 2.9Å; C257-I260 VanDerWaalsContact O-N 3.08Å; I260-V263 HydrophobicContact CG2-CG2 3.4Å; I260-V263 VanDerWaalsContact CG2-CG2 3.4Å; I260-L280 HydrophobicContact CD1-CD1 4.16Å; I260-L280 HydrophobicContact CG1-CD1 4.24Å; I260-L280 HydrophobicContact CG2-CD1 3.77Å; I260-V282 HydrophobicContact CG1-CG2 4.34Å; I260-T309 HydrophobicContact CB-CG2 3.81Å; I260-T309 HydrophobicContact CG2-CG2 3.85Å |
| 261 | Q | 90.2 | Very high | 88.1 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -43.4 | -178.7 | -63.8 | -172.6 | -1.7 | 0 | 0 | 112.2 | S259 K281 K283 | S259-Q261 PolarHBondContact O-N 3.34Å; Q261-K281 HydrophobicContact CB-CB 4.48Å; Q261-K281 PolarHBondContact N-O 2.81Å; Q261-K283 HydrophobicContact CG-CB 4.05Å |
| 262 | E | 90.6 | Very high | 87.2 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 133.5 | -173.6 | -173.5 | -179.5 | -169.4 | 0 | 0 | 110 | R264 K281 | E262-R264 HydrophobicContact CG-CG 4.19Å; E262-R264 WeakPolarHBondContact OE1-CD 3.48Å; E262-R264 IonicContact OE1-CZ 3.73Å; E262-R264 IonicContact OE1-NE 2.68Å; E262-R264 PolarHBondContact OE1-NE 2.89Å; E262-R264 IonicContact OE2-NE 2.73Å; E262-K281 HydrophobicContact CB-CB 4Å; E262-K281 HydrophobicContact CB-CD 4.02Å; E262-K281 HydrophobicContact CB-CG 3.94Å; E262-K281 PolarHBondContact N-O 2.89Å; E262-K281 PolarHBondContact O-N 3.38Å; E262-K281 WeakPolarHBondContact OE2-CD 3.32Å; E262-K281 WeakPolarHBondContact OE2-CE 3.42Å; E262-K281 IonicContact OE2-NZ 3.42Å; E262-K281 PolarHBondContact OE2-NZ 3.02Å |
| 263 | V | 94.1 | Very high | 86.5 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 113.4 | 168.2 | -168.8 | 0 | 0 | 0 | 0 | 107.6 | I260 L280 M302 L305 R306 T309 | I260-V263 HydrophobicContact CG2-CG2 3.4Å; I260-V263 VanDerWaalsContact CG2-CG2 3.4Å; V263-L280 HydrophobicContact CG2-CD1 4.17Å; V263-M302 HydrophobicContact CG1-CE 4.06Å; V263-M302 HydrophobicContact CG1-SD 3.9Å; V263-M302 WeakPolarHBondContact O-CE 3.49Å; V263-L305 HydrophobicContact CG1-CB 3.88Å; V263-L305 HydrophobicContact CG1-CD1 4.14Å; V263-L305 HydrophobicContact CG2-CB 4.12Å; V263-R306 HydrophobicContact CB-CG 4.48Å; V263-R306 PolarHBondContact O-NE 2.99Å; V263-R306 PolarHBondContact O-NH2 2.98Å; V263-T309 HydrophobicContact CG2-CG2 4.48Å |
| 264 | R | 94.3 | Very high | 86.1 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 160.3 | 178.3 | 61.3 | 165.4 | 167.5 | 80.6 | 0.9 | 111.9 | E262 E270 F278 V279 | E262-R264 HydrophobicContact CG-CG 4.19Å; E262-R264 WeakPolarHBondContact OE1-CD 3.48Å; E262-R264 IonicContact OE1-CZ 3.73Å; E262-R264 IonicContact OE1-NE 2.68Å; E262-R264 PolarHBondContact OE1-NE 2.89Å; E262-R264 IonicContact OE2-NE 2.73Å; R264-E270 IonicContact CZ-OE1 3.6Å; R264-E270 VanDerWaalsContact CZ-OE1 3.27Å; R264-E270 IonicContact CZ-OE2 3.08Å; R264-E270 VanDerWaalsContact NH1-CD 3.26Å; R264-E270 IonicContact NH1-OE1 3.7Å; R264-E270 PolarHBondContact NH1-OE1 2.82Å; R264-E270 IonicContact NH1-OE2 2.71Å; R264-E270 PolarHBondContact NH1-OE2 2.58Å; R264-E270 IonicContact NH2-OE1 3.54Å; R264-E270 PolarHBondContact NH2-OE1 2.85Å; R264-E270 IonicContact NH2-OE2 2.91Å; R264-F278 CarbonylContact O-C 3.49Å; R264-F278 VanDerWaalsContact O-CA 3.28Å; R264-F278 WeakPolarHBondContact O-CA 3.44Å; R264-F278 WeakPolarHBondContact O-CB 3.27Å; R264-V279 HydrophobicContact CG-CB 4.42Å; R264-V279 PolarHBondContact N-O 2.99Å; R264-V279 VanDerWaalsContact N-O 3.14Å; R264-V279 PolarHBondContact O-N 2.82Å |
| 265 | R | 93.9 | Very high | 85.6 | Confident | 125 Ų | 125 | 59.1 Ų | 59.1 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 149.8 | 165 | -60.8 | -176.1 | -173.9 | 84.1 | -0 | 108.9 | T277 L298 N299 M302 | R265-T277 WeakPolarHBondContact CA-O 3.44Å; R265-L298 HydrophobicContact CG-CD2 4.04Å; R265-L298 HydrophobicContact CG-CG 4.47Å; R265-N299 PolarHBondContact NH2-OD1 3.48Å; R265-M302 HydrophobicContact CG-CG 4.47Å; R265-M302 HydrophobicContact CG-SD 4.41Å |
| 266 | C | 90 | Very high | 85.7 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 141.9 | 172 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | E270 M271 T277 V279 | C266-E270 HydrophobicContact CB-CB 4.36Å; C266-M271 HydrophobicContact CB-CB 3.79Å; C266-M271 HydrophobicContact CB-CG 3.87Å; C266-T277 WeakPolarHBondContact CB-OG1 3.48Å; C266-T277 PolarHBondContact N-O 2.9Å; C266-T277 VanDerWaalsContact SG-CB 3.6Å; C266-T277 PolarHBondContact SG-OG1 3.05Å; C266-T277 VanDerWaalsContact SG-OG1 3.39Å; C266-V279 HydrophobicContact CB-CG2 4.37Å; C266-V279 VanDerWaalsContact SG-CG2 3.55Å |
| 267 | T | 85.3 | Confident | 86 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 158.2 | 162.2 | 67.1 | 0 | 0 | 0 | 0 | 109 | L269 E270 M271 | T267-L269 PolarHBondContact O-N 2.92Å; T267-E270 WeakPolarHBondContact CB-OE2 3.42Å; T267-E270 WeakPolarHBondContact CG2-OE2 3.23Å; T267-E270 PolarHBondContact N-OE2 2.78Å; T267-E270 PolarHBondContact O-N 3.03Å; T267-E270 VanDerWaalsContact O-N 3.12Å; T267-E270 PolarHBondContact OG1-N 3.19Å; T267-E270 PolarHBondContact OG1-OE2 3.02Å; T267-M271 PolarHBondContact O-N 3.4Å |
| 268 | R | 76.1 | Confident | 86.3 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -2.7 | 175.6 | -70.6 | -176.4 | 65.4 | -155.8 | -2.1 | 114.2 | P272 L275 G349 L350 | R268-P272 WeakPolarHBondContact O-CA 3.47Å; R268-P272 WeakPolarHBondContact O-CB 3.34Å; R268-L275 HydrophobicContact CG-CD2 4Å; R268-G349 PolarHBondContact NH1-O 3.34Å; R268-G349 VanDerWaalsContact NH1-O 3.09Å; R268-L350 HydrophobicContact CB-CB 4.3Å; R268-L350 WeakPolarHBondContact CB-O 3.36Å; R268-L350 VanDerWaalsContact CD-O 3.27Å; R268-L350 WeakPolarHBondContact CD-O 3.36Å; R268-L350 PolarHBondContact NE-O 3.13Å; R268-L350 PolarHBondContact NH1-O 2.57Å; R268-L350 VanDerWaalsContact NH1-O 3.11Å |
| 269 | L | 78.1 | Confident | 86.8 | Confident | 137 Ų | 137 | 57.2 Ų | 57.2 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -45.8 | 164.9 | -69.9 | 170.9 | 0 | 0 | 0 | 110.9 | T267 L350 | T267-L269 PolarHBondContact O-N 2.92Å; L269-L350 HydrophobicContact CD1-CD2 3.94Å; L269-L350 HydrophobicContact CD2-CD2 3.53Å; L269-L350 HydrophobicContact CG-CD2 3.55Å |
| 270 | E | 81.3 | Confident | 87 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -40 | 179 | -63.6 | 152.2 | 132.9 | 0 | 0 | 111.5 | R264 C266 T267 | R264-E270 IonicContact CZ-OE1 3.6Å; R264-E270 VanDerWaalsContact CZ-OE1 3.27Å; R264-E270 IonicContact CZ-OE2 3.08Å; R264-E270 VanDerWaalsContact NH1-CD 3.26Å; R264-E270 IonicContact NH1-OE1 3.7Å; R264-E270 PolarHBondContact NH1-OE1 2.82Å; R264-E270 IonicContact NH1-OE2 2.71Å; R264-E270 PolarHBondContact NH1-OE2 2.58Å; R264-E270 IonicContact NH2-OE1 3.54Å; R264-E270 PolarHBondContact NH2-OE1 2.85Å; R264-E270 IonicContact NH2-OE2 2.91Å; C266-E270 HydrophobicContact CB-CB 4.36Å; T267-E270 WeakPolarHBondContact CB-OE2 3.42Å; T267-E270 WeakPolarHBondContact CG2-OE2 3.23Å; T267-E270 PolarHBondContact N-OE2 2.78Å; T267-E270 PolarHBondContact O-N 3.03Å; T267-E270 VanDerWaalsContact O-N 3.12Å; T267-E270 PolarHBondContact OG1-N 3.19Å; T267-E270 PolarHBondContact OG1-OE2 3.02Å |
| 271 | M | 83.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | trans | -136.7 | 85.8 | -179.1 | -73.1 | -55.2 | -42.7 | 0 | 0 | 111.9 | W217 C266 T267 D273 N274 T277 I289 | W217-M271 HydrophobicContact CH2-CE 4.27Å; W217-M271 HydrophobicContact CH2-SD 4.06Å; W217-M271 HydrophobicContact CZ2-CE 3.65Å; W217-M271 HydrophobicContact CZ2-SD 3.69Å; C266-M271 HydrophobicContact CB-CB 3.79Å; C266-M271 HydrophobicContact CB-CG 3.87Å; T267-M271 PolarHBondContact O-N 3.4Å; M271-D273 VanDerWaalsContact C-N 3.35Å; M271-D273 PolarHBondContact O-N 3.37Å; M271-N274 HydrophobicContact CE-CB 4.19Å; M271-T277 HydrophobicContact CE-CG2 4.48Å; M271-T277 HydrophobicContact CG-CG2 4.15Å; M271-I289 HydrophobicContact CG-CG2 3.99Å; M271-I289 HydrophobicContact SD-CG2 4.29Å | ||
| 272 | P | 70.6 | Confident | 87.2 | Confident | 58 Ų | 58 | 51.7 Ų | 51.7 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -72.2 | -24.4 | -177 | 26.9 | -34.9 | 0 | 0 | 0 | 114.4 | R268 R401 | R268-P272 WeakPolarHBondContact O-CA 3.47Å; R268-P272 WeakPolarHBondContact O-CB 3.34Å; P272-R401 PolarHBondContact O-NH2 3.32Å |
| 273 | D | 75.6 | Confident | 87.1 | Confident | 117 Ų | 117 | 53.9 Ų | 53.9 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -115.6 | -2.9 | -168.3 | -64.4 | -38.6 | 0 | 0 | 0 | 115 | M271 R401 | M271-D273 VanDerWaalsContact C-N 3.35Å; M271-D273 PolarHBondContact O-N 3.37Å; D273-R401 IonicContact OD1-CZ 3.49Å; D273-R401 IonicContact OD1-NH1 2.67Å; D273-R401 PolarHBondContact OD1-NH1 3.4Å; D273-R401 IonicContact OD1-NH2 3.72Å; D273-R401 PolarHBondContact OD1-NH2 2.83Å; D273-R401 VanDerWaalsContact OD1-NH2 3.13Å |
| 274 | N | 80.4 | Confident | 86.7 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.171 | 29% | 0.293 | C | S | . | . | trans | -139 | 107.2 | 171.8 | -168.1 | -10.7 | 0 | 0 | 0 | 111.7 | M271 Y276 T277 E291 | M271-N274 HydrophobicContact CE-CB 4.19Å; N274-Y276 VanDerWaalsContact C-N 3.29Å; N274-Y276 PolarHBondContact O-N 3.1Å; N274-Y276 PolarHBondContact OD1-N 3.12Å; N274-T277 HydrophobicContact CB-CG2 3.86Å; N274-T277 WeakPolarHBondContact O-CG2 3.17Å; N274-T277 PolarHBondContact O-OG1 3.44Å; N274-E291 VanDerWaalsContact ND2-CG 3.32Å; N274-E291 WeakPolarHBondContact ND2-CG 3.38Å; N274-E291 PolarHBondContact ND2-OE2 3.01Å | ||
| 275 | L | 82 | Confident | 86.3 | Confident | 113 Ų | 113 | 64.8 Ų | 64.8 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -75 | -17.7 | 178.9 | -57.4 | 177.8 | 0 | 0 | 0 | 112.9 | R268 T277 | R268-L275 HydrophobicContact CG-CD2 4Å; L275-T277 PolarHBondContact O-N 2.87Å; L275-T277 VanDerWaalsContact O-N 3.11Å |
| 276 | Y | 93.1 | Very high | 85.9 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -89.9 | 54.8 | 178.6 | -51.9 | -40.8 | 0 | 0 | 0 | 110.4 | N274 V292 E295 | N274-Y276 VanDerWaalsContact C-N 3.29Å; N274-Y276 PolarHBondContact O-N 3.1Å; N274-Y276 PolarHBondContact OD1-N 3.12Å; Y276-V292 WeakPolarHBondContact O-CG2 3.45Å; Y276-V292 PolarHBondContact O-N 3.44Å; Y276-E295 HydrophobicContact CD1-CB 4.21Å; Y276-E295 HydrophobicContact CE1-CB 3.78Å |
| 277 | T | 94.1 | Very high | 86 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 145.5 | -176.7 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | R265 C266 M271 N274 L275 F290 E291 | R265-T277 WeakPolarHBondContact CA-O 3.44Å; C266-T277 WeakPolarHBondContact CB-OG1 3.48Å; C266-T277 PolarHBondContact N-O 2.9Å; C266-T277 VanDerWaalsContact SG-CB 3.6Å; C266-T277 PolarHBondContact SG-OG1 3.05Å; C266-T277 VanDerWaalsContact SG-OG1 3.39Å; M271-T277 HydrophobicContact CE-CG2 4.48Å; M271-T277 HydrophobicContact CG-CG2 4.15Å; N274-T277 HydrophobicContact CB-CG2 3.86Å; N274-T277 WeakPolarHBondContact O-CG2 3.17Å; N274-T277 PolarHBondContact O-OG1 3.44Å; L275-T277 PolarHBondContact O-N 2.87Å; L275-T277 VanDerWaalsContact O-N 3.11Å; T277-F290 CarbonylContact C-O 3.54Å; T277-F290 WeakPolarHBondContact CA-O 3.42Å; T277-F290 WeakPolarHBondContact CB-O 3.48Å; T277-E291 HydrophobicContact CG2-CB 4.12Å |
| 278 | F | 95.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.3 | 175.7 | 69 | -92.2 | 0 | 0 | 0 | 112.6 | L201 L222 R264 L280 I289 F290 V292 L298 W301 M302 L305 | L201-F278 HydrophobicContact CD1-CE1 4.43Å; L201-F278 HydrophobicContact CD1-CZ 4.48Å; L222-F278 HydrophobicContact CD2-CZ 4.02Å; R264-F278 CarbonylContact O-C 3.49Å; R264-F278 VanDerWaalsContact O-CA 3.28Å; R264-F278 WeakPolarHBondContact O-CA 3.44Å; R264-F278 WeakPolarHBondContact O-CB 3.27Å; F278-L280 HydrophobicContact CE2-CB 4.48Å; F278-I289 CarbonylContact O-C 3.52Å; F278-I289 WeakPolarHBondContact O-CA 3.31Å; F278-F290 HydrophobicContact CD1-CB 3.85Å; F278-F290 HydrophobicContact CD2-CB 4.22Å; F278-F290 HydrophobicContact CD2-CD2 4.18Å; F278-F290 HydrophobicContact CE1-CB 3.49Å; F278-F290 VanDerWaalsContact CE1-CB 3.49Å; F278-F290 HydrophobicContact CE1-CG 4.18Å; F278-F290 HydrophobicContact CE2-CB 3.88Å; F278-F290 AromaticContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CE2 4.35Å; F278-F290 AromaticContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CG-CB 4.21Å; F278-F290 HydrophobicContact CZ-CB 3.5Å; F278-F290 HydrophobicContact CZ-CD1 4.5Å; F278-F290 AromaticContact CZ-CD2 3.79Å; F278-F290 HydrophobicContact CZ-CD2 3.79Å; F278-F290 AromaticContact CZ-CG 3.68Å; F278-F290 HydrophobicContact CZ-CG 3.68Å; F278-F290 PolarHBondContact N-O 2.94Å; F278-F290 PolarHBondContact O-N 3.48Å; F278-V292 HydrophobicContact CD1-CG1 4.25Å; F278-V292 HydrophobicContact CE1-CG1 3.84Å; F278-L298 HydrophobicContact CB-CD1 3.97Å; F278-L298 HydrophobicContact CD1-CD1 3.91Å; F278-L298 HydrophobicContact CG-CD1 4.43Å; F278-W301 HydrophobicContact CE1-CB 3.95Å; F278-W301 HydrophobicContact CE1-CG 4.26Å; F278-W301 HydrophobicContact CZ-CB 4.24Å; F278-W301 HydrophobicContact CZ-CG 4.46Å; F278-M302 HydrophobicContact CB-SD 3.71Å; F278-M302 HydrophobicContact CG-SD 4.3Å; F278-L305 HydrophobicContact CD2-CD1 4.34Å; F278-L305 HydrophobicContact CE2-CD1 3.55Å; F278-L305 HydrophobicContact CZ-CD1 3.94Å |
| 279 | V | 94.5 | Very high | 87.2 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.5 | 171.2 | -168.4 | 0 | 0 | 0 | 0 | 108.6 | R264 C266 K281 D287 I289 | R264-V279 HydrophobicContact CG-CB 4.42Å; R264-V279 PolarHBondContact N-O 2.99Å; R264-V279 VanDerWaalsContact N-O 3.14Å; R264-V279 PolarHBondContact O-N 2.82Å; C266-V279 HydrophobicContact CB-CG2 4.37Å; C266-V279 VanDerWaalsContact SG-CG2 3.55Å; V279-K281 HydrophobicContact CG1-CG 3.97Å; V279-D287 HydrophobicContact CG1-CB 4.4Å; V279-I289 HydrophobicContact CG2-CG1 4.39Å |
| 280 | L | 94.6 | Very high | 88 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 116.6 | 168.1 | 174.5 | 74.8 | 0 | 0 | 0 | 108.1 | L240 I260 V263 F278 V282 I288 F290 | L240-L280 HydrophobicContact CD2-CD1 3.95Å; L240-L280 HydrophobicContact CD2-CD2 3.55Å; L240-L280 HydrophobicContact CD2-CG 4.4Å; I260-L280 HydrophobicContact CD1-CD1 4.16Å; I260-L280 HydrophobicContact CG1-CD1 4.24Å; I260-L280 HydrophobicContact CG2-CD1 3.77Å; V263-L280 HydrophobicContact CG2-CD1 4.17Å; F278-L280 HydrophobicContact CE2-CB 4.48Å; L280-V282 HydrophobicContact CD1-CG2 4.41Å; L280-V282 HydrophobicContact CD2-CG2 4.1Å; L280-V282 HydrophobicContact CG-CG2 4.01Å; L280-I288 PolarHBondContact N-O 2.8Å; L280-I288 PolarHBondContact O-N 3.22Å; L280-F290 HydrophobicContact CB-CD2 4.26Å; L280-F290 HydrophobicContact CB-CE2 4.05Å; L280-F290 HydrophobicContact CD2-CE2 3.81Å |
| 281 | K | 93.2 | Very high | 88.6 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.9 | 172.7 | -50.8 | -159 | -179.5 | 168.3 | 0 | 110.2 | Q261 E262 V279 D287 | Q261-K281 HydrophobicContact CB-CB 4.48Å; Q261-K281 PolarHBondContact N-O 2.81Å; E262-K281 HydrophobicContact CB-CB 4Å; E262-K281 HydrophobicContact CB-CD 4.02Å; E262-K281 HydrophobicContact CB-CG 3.94Å; E262-K281 PolarHBondContact N-O 2.89Å; E262-K281 PolarHBondContact O-N 3.38Å; E262-K281 WeakPolarHBondContact OE2-CD 3.32Å; E262-K281 WeakPolarHBondContact OE2-CE 3.42Å; E262-K281 IonicContact OE2-NZ 3.42Å; E262-K281 PolarHBondContact OE2-NZ 3.02Å; V279-K281 HydrophobicContact CG1-CG 3.97Å; K281-D287 WeakPolarHBondContact CB-OD1 3.19Å; K281-D287 WeakPolarHBondContact CD-OD1 3.48Å; K281-D287 VanDerWaalsContact CD-OD2 3.25Å; K281-D287 WeakPolarHBondContact CD-OD2 3.46Å; K281-D287 WeakPolarHBondContact CE-OD2 3.49Å; K281-D287 HydrophobicContact CG-CB 4.49Å; K281-D287 WeakPolarHBondContact CG-OD1 3.48Å; K281-D287 IonicContact NZ-OD2 3.11Å |
| 282 | V | 91.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137 | 177 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | L253 A255 I260 L280 D284 R285 | L253-V282 HydrophobicContact CD2-CG2 4.32Å; A255-V282 HydrophobicContact CB-CG1 3.79Å; I260-V282 HydrophobicContact CG1-CG2 4.34Å; L280-V282 HydrophobicContact CD1-CG2 4.41Å; L280-V282 HydrophobicContact CD2-CG2 4.1Å; L280-V282 HydrophobicContact CG-CG2 4.01Å; V282-D284 PolarHBondContact O-N 3.31Å; V282-R285 HydrophobicContact CB-CB 4.07Å; V282-R285 HydrophobicContact CB-CG 4.02Å; V282-R285 HydrophobicContact CG1-CB 4.46Å; V282-R285 HydrophobicContact CG1-CG 3.87Å; V282-R285 WeakPolarHBondContact O-CB 3.24Å; V282-R285 PolarHBondContact O-N 3.04Å |
| 283 | K | 88.1 | Confident | 90 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 133.5 | 179.6 | 178.8 | 177.1 | 175.6 | -170.2 | 0 | 110.8 | S259 Q261 R285 | S259-K283 WeakPolarHBondContact O-CB 3.37Å; S259-K283 PolarHBondContact O-N 2.81Å; Q261-K283 HydrophobicContact CG-CB 4.05Å; K283-R285 PolarHBondContact O-N 3.38Å |
| 284 | D | 85.3 | Confident | 90.7 | Very high | 138 Ų | 138 | 47.1 Ų | 47.1 | 74% | 0.738 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 31.9 | 178.3 | -45.7 | -30.1 | 0 | 0 | 0 | 113.5 | V282 | V282-D284 PolarHBondContact O-N 3.31Š|
| 285 | R | 85.6 | Confident | 91.3 | Very high | 152 Ų | 152 | 50.9 Ų | 50.9 | 57% | 0.574 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -132 | 164.4 | 176 | -59.8 | -63.4 | -177 | 176.5 | 1.2 | 111.3 | L253 V282 K283 | L253-R285 HydrophobicContact CD1-CG 3.99Å; V282-R285 HydrophobicContact CB-CB 4.07Å; V282-R285 HydrophobicContact CB-CG 4.02Å; V282-R285 HydrophobicContact CG1-CB 4.46Å; V282-R285 HydrophobicContact CG1-CG 3.87Å; V282-R285 WeakPolarHBondContact O-CB 3.24Å; V282-R285 PolarHBondContact O-N 3.04Å; K283-R285 PolarHBondContact O-N 3.38Å |
| 286 | T | 86.4 | Confident | 91.8 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 44% | 0.442 | 27% | 0.266 | S | S | . | . | trans | -70.3 | 143.7 | 166.8 | 41.2 | 0 | 0 | 0 | 0 | 111 | I288 | T286-I288 WeakPolarHBondContact O-CG1 3.48Š| ||
| 287 | D | 91 | Very high | 91.7 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 138.1 | 177.2 | -75.9 | -9.2 | 0 | 0 | 0 | 110.7 | A206 V279 K281 | A206-D287 HydrophobicContact CB-CB 4.08Å; A206-D287 PolarHBondContact N-O 2.94Å; V279-D287 HydrophobicContact CG1-CB 4.4Å; K281-D287 WeakPolarHBondContact CB-OD1 3.19Å; K281-D287 WeakPolarHBondContact CD-OD1 3.48Å; K281-D287 VanDerWaalsContact CD-OD2 3.25Å; K281-D287 WeakPolarHBondContact CD-OD2 3.46Å; K281-D287 WeakPolarHBondContact CE-OD2 3.49Å; K281-D287 HydrophobicContact CG-CB 4.49Å; K281-D287 WeakPolarHBondContact CG-OD1 3.48Å; K281-D287 IonicContact NZ-OD2 3.11Å |
| 288 | I | 93 | Very high | 91.7 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.6 | -175.8 | -49 | -168.5 | 0 | 0 | 0 | 109.8 | Y203 L205 L242 L253 L280 T286 F290 | Y203-I288 HydrophobicContact CD2-CG2 3.7Å; Y203-I288 HydrophobicContact CE2-CG2 4.47Å; Y203-I288 HydrophobicContact CG-CG2 4.37Å; L205-I288 HydrophobicContact CD2-CD1 4.01Å; L205-I288 HydrophobicContact CD2-CG1 3.81Å; L205-I288 HydrophobicContact CD2-CG2 4.36Å; L242-I288 HydrophobicContact CD2-CD1 4.11Å; L253-I288 HydrophobicContact CD2-CD1 3.79Å; L280-I288 PolarHBondContact N-O 2.8Å; L280-I288 PolarHBondContact O-N 3.22Å; T286-I288 WeakPolarHBondContact O-CG1 3.48Å; I288-F290 HydrophobicContact CB-CE2 3.94Å; I288-F290 HydrophobicContact CG2-CD2 3.99Å; I288-F290 HydrophobicContact CG2-CE1 4.47Å; I288-F290 HydrophobicContact CG2-CE2 3.43Å; I288-F290 VanDerWaalsContact CG2-CE2 3.43Å; I288-F290 HydrophobicContact CG2-CZ 3.71Å |
| 289 | I | 93.6 | Very high | 91.6 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.3 | 173.5 | -59.7 | 179.8 | 0 | 0 | 0 | 108.3 | Y203 S204 A206 W217 M271 F278 V279 | Y203-I289 CarbonylContact C-O 3.48Å; Y203-I289 WeakPolarHBondContact CA-O 3.32Å; Y203-I289 WeakPolarHBondContact CB-O 3.21Å; S204-I289 PolarHBondContact N-O 3.38Å; S204-I289 PolarHBondContact O-N 2.95Å; A206-I289 HydrophobicContact CB-CD1 4.45Å; W217-I289 HydrophobicContact CH2-CG2 3.93Å; M271-I289 HydrophobicContact CG-CG2 3.99Å; M271-I289 HydrophobicContact SD-CG2 4.29Å; F278-I289 CarbonylContact O-C 3.52Å; F278-I289 WeakPolarHBondContact O-CA 3.31Å; V279-I289 HydrophobicContact CG2-CG1 4.39Å |
| 290 | F | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144.4 | 173.5 | -73.2 | -86.4 | 0 | 0 | 0 | 111.3 | L201 Y203 L222 L242 T277 F278 L280 I288 | L201-F290 HydrophobicContact CB-CD1 4.14Å; L201-F290 HydrophobicContact CD1-CB 4.49Å; L201-F290 HydrophobicContact CD1-CD1 3.89Å; L201-F290 HydrophobicContact CD1-CG 4.47Å; Y203-F290 HydrophobicContact CG-CE1 4.32Å; L222-F290 HydrophobicContact CB-CE1 4.22Å; L222-F290 HydrophobicContact CD1-CE1 4.11Å; L222-F290 HydrophobicContact CD1-CZ 3.78Å; L222-F290 HydrophobicContact CD2-CD1 4.25Å; L222-F290 HydrophobicContact CD2-CE1 3.98Å; L222-F290 HydrophobicContact CD2-CE2 4.39Å; L222-F290 HydrophobicContact CD2-CZ 4.04Å; L222-F290 HydrophobicContact CG-CE1 4.34Å; L222-F290 HydrophobicContact CG-CZ 4.41Å; L242-F290 HydrophobicContact CD1-CE1 3.78Å; L242-F290 HydrophobicContact CD1-CZ 4.05Å; L242-F290 HydrophobicContact CD2-CE1 4.42Å; L242-F290 HydrophobicContact CD2-CZ 4.03Å; T277-F290 CarbonylContact C-O 3.54Å; T277-F290 WeakPolarHBondContact CA-O 3.42Å; T277-F290 WeakPolarHBondContact CB-O 3.48Å; F278-F290 HydrophobicContact CD1-CB 3.85Å; F278-F290 HydrophobicContact CD2-CB 4.22Å; F278-F290 HydrophobicContact CD2-CD2 4.18Å; F278-F290 HydrophobicContact CE1-CB 3.49Å; F278-F290 VanDerWaalsContact CE1-CB 3.49Å; F278-F290 HydrophobicContact CE1-CG 4.18Å; F278-F290 HydrophobicContact CE2-CB 3.88Å; F278-F290 AromaticContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CD2 3.52Å; F278-F290 HydrophobicContact CE2-CE2 4.35Å; F278-F290 AromaticContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CE2-CG 3.91Å; F278-F290 HydrophobicContact CG-CB 4.21Å; F278-F290 HydrophobicContact CZ-CB 3.5Å; F278-F290 HydrophobicContact CZ-CD1 4.5Å; F278-F290 AromaticContact CZ-CD2 3.79Å; F278-F290 HydrophobicContact CZ-CD2 3.79Å; F278-F290 AromaticContact CZ-CG 3.68Å; F278-F290 HydrophobicContact CZ-CG 3.68Å; F278-F290 PolarHBondContact N-O 2.94Å; F278-F290 PolarHBondContact O-N 3.48Å; L280-F290 HydrophobicContact CB-CD2 4.26Å; L280-F290 HydrophobicContact CB-CE2 4.05Å; L280-F290 HydrophobicContact CD2-CE2 3.81Å; I288-F290 HydrophobicContact CB-CE2 3.94Å; I288-F290 HydrophobicContact CG2-CD2 3.99Å; I288-F290 HydrophobicContact CG2-CE1 4.47Å; I288-F290 HydrophobicContact CG2-CE2 3.43Å; I288-F290 VanDerWaalsContact CG2-CE2 3.43Å; I288-F290 HydrophobicContact CG2-CZ 3.71Å |
| 291 | E | 94.8 | Very high | 91.6 | Very high | 32 Ų | 32 | 58 Ų | 58 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.1 | 170.3 | 159.2 | 179.2 | 155.3 | 0 | 0 | 109.2 | R202 W217 N274 T277 | R202-E291 HydrophobicContact CB-CB 3.81Å; R202-E291 HydrophobicContact CB-CG 3.99Å; R202-E291 VanDerWaalsContact CD-OE1 3.3Å; R202-E291 WeakPolarHBondContact CD-OE1 3.46Å; R202-E291 VanDerWaalsContact CZ-CD 3.43Å; R202-E291 IonicContact CZ-OE1 2.79Å; R202-E291 VanDerWaalsContact CZ-OE1 3.26Å; R202-E291 IonicContact CZ-OE2 3.79Å; R202-E291 PolarHBondContact N-O 3.14Å; R202-E291 IonicContact NE-OE1 3.37Å; R202-E291 PolarHBondContact NE-OE1 2.88Å; R202-E291 IonicContact NE-OE2 3.84Å; R202-E291 PolarHBondContact NE-OE2 3.48Å; R202-E291 IonicContact NH1-OE1 3.69Å; R202-E291 PolarHBondContact NH1-OE1 3.45Å; R202-E291 IonicContact NH1-OE2 2.79Å; R202-E291 PolarHBondContact NH1-OE2 3.03Å; R202-E291 IonicContact NH2-OE2 3.93Å; R202-E291 PolarHBondContact NH2-OE2 2.73Å; R202-E291 PolarHBondContact O-N 3.28Å; W217-E291 HydrophobicContact CE3-CB 4.39Å; W217-E291 HydrophobicContact CH2-CB 4.08Å; W217-E291 HydrophobicContact CZ3-CB 3.71Å; N274-E291 VanDerWaalsContact ND2-CG 3.32Å; N274-E291 WeakPolarHBondContact ND2-CG 3.38Å; N274-E291 PolarHBondContact ND2-OE2 3.01Å; T277-E291 HydrophobicContact CG2-CB 4.12Å |
| 292 | V | 94.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | trans | -118.4 | 167.5 | 176.3 | -52.5 | 0 | 0 | 0 | 0 | 110.5 | L201 Y276 F278 D294 Q297 L298 | L201-V292 HydrophobicContact CD1-CG1 4.12Å; L201-V292 HydrophobicContact CD2-CB 4.45Å; L201-V292 HydrophobicContact CD2-CG1 3.94Å; Y276-V292 WeakPolarHBondContact O-CG2 3.45Å; Y276-V292 PolarHBondContact O-N 3.44Å; F278-V292 HydrophobicContact CD1-CG1 4.25Å; F278-V292 HydrophobicContact CE1-CG1 3.84Å; V292-D294 WeakPolarHBondContact CG2-O 3.28Å; V292-Q297 HydrophobicContact CB-CB 3.96Å; V292-Q297 HydrophobicContact CG2-CB 4.04Å; V292-L298 HydrophobicContact CG2-CB 3.75Å; V292-L298 HydrophobicContact CG2-CD1 4.27Å | ||
| 293 | G | 87.8 | Confident | 91.6 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -75.9 | -29.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 294 | D | 91.2 | Very high | 91.8 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -157.9 | 171.9 | -170.2 | 63.1 | 71 | 0 | 0 | 0 | 112.5 | V292 Q296 Q297 L298 | V292-D294 WeakPolarHBondContact CG2-O 3.28Å; D294-Q296 VanDerWaalsContact C-N 3.34Å; D294-Q296 PolarHBondContact O-N 3.33Å; D294-Q296 WeakPolarHBondContact OD1-CA 3.22Å; D294-Q296 VanDerWaalsContact OD1-CB 3.32Å; D294-Q296 WeakPolarHBondContact OD1-CB 3.28Å; D294-Q296 PolarHBondContact OD1-N 3.31Å; D294-Q297 PolarHBondContact OD1-N 2.76Å; D294-Q297 VanDerWaalsContact OD2-CD 3.25Å; D294-Q297 WeakPolarHBondContact OD2-CG 3.2Å; D294-Q297 PolarHBondContact OD2-NE2 2.89Å; D294-L298 PolarHBondContact O-N 2.83Å |
| 295 | E | 91.4 | Very high | 92 | Very high | 110 Ų | 110 | 48.6 Ų | 48.6 | 51% | 0.514 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -29.3 | -179.4 | -176.4 | 167.2 | -162.4 | 0 | 0 | 113.8 | Y276 L298 N299 | Y276-E295 HydrophobicContact CD1-CB 4.21Å; Y276-E295 HydrophobicContact CE1-CB 3.78Å; E295-L298 PolarHBondContact O-N 2.89Å; E295-N299 WeakPolarHBondContact CG-ND2 3.31Å; E295-N299 VanDerWaalsContact O-CB 3.29Å; E295-N299 WeakPolarHBondContact O-CB 3.48Å; E295-N299 PolarHBondContact O-N 2.91Å; E295-N299 PolarHBondContact O-ND2 3.35Å |
| 296 | Q | 92.7 | Very high | 92.2 | Very high | 164 Ų | 164 | 47.9 Ų | 47.9 | 77% | 0.766 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71.9 | -43.8 | 179.2 | -58 | -176.6 | -4.1 | 0 | 0 | 110.1 | D294 L298 N299 S300 | D294-Q296 VanDerWaalsContact C-N 3.34Å; D294-Q296 PolarHBondContact O-N 3.33Å; D294-Q296 WeakPolarHBondContact OD1-CA 3.22Å; D294-Q296 VanDerWaalsContact OD1-CB 3.32Å; D294-Q296 WeakPolarHBondContact OD1-CB 3.28Å; D294-Q296 PolarHBondContact OD1-N 3.31Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 2.87Å; Q296-N299 PolarHBondContact O-N 3.45Å; Q296-S300 WeakPolarHBondContact O-CB 3.46Å; Q296-S300 PolarHBondContact O-N 3.4Å |
| 297 | Q | 92.8 | Very high | 92.1 | Very high | 77 Ų | 77 | 50 Ų | 50 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 169.5 | -69.2 | 178.3 | 32.2 | 0 | 0 | 111.2 | V292 D294 W301 | V292-Q297 HydrophobicContact CB-CB 3.96Å; V292-Q297 HydrophobicContact CG2-CB 4.04Å; D294-Q297 PolarHBondContact OD1-N 2.76Å; D294-Q297 VanDerWaalsContact OD2-CD 3.25Å; D294-Q297 WeakPolarHBondContact OD2-CG 3.2Å; D294-Q297 PolarHBondContact OD2-NE2 2.89Å; Q297-W301 WeakPolarHBondContact O-CB 3.4Å; Q297-W301 VanDerWaalsContact O-CD1 3.29Å; Q297-W301 PolarHBondContact O-N 2.87Å |
| 298 | L | 93.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -55.7 | 178.8 | -177.9 | 67.9 | 0 | 0 | 0 | 110.5 | R265 F278 V292 D294 E295 Q296 S300 W301 M302 | R265-L298 HydrophobicContact CG-CD2 4.04Å; R265-L298 HydrophobicContact CG-CG 4.47Å; F278-L298 HydrophobicContact CB-CD1 3.97Å; F278-L298 HydrophobicContact CD1-CD1 3.91Å; F278-L298 HydrophobicContact CG-CD1 4.43Å; V292-L298 HydrophobicContact CG2-CB 3.75Å; V292-L298 HydrophobicContact CG2-CD1 4.27Å; D294-L298 PolarHBondContact O-N 2.83Å; E295-L298 PolarHBondContact O-N 2.89Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 2.87Å; L298-S300 VanDerWaalsContact C-N 3.28Å; L298-S300 PolarHBondContact O-N 3.24Å; L298-W301 PolarHBondContact O-N 2.86Å; L298-M302 HydrophobicContact CD1-CG 4.29Å; L298-M302 HydrophobicContact CG-CG 4.33Å; L298-M302 WeakPolarHBondContact O-CB 3.44Å; L298-M302 WeakPolarHBondContact O-CG 3.35Å; L298-M302 PolarHBondContact O-N 3.43Å |
| 299 | N | 93.3 | Very high | 91.1 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | -176.8 | -67.8 | -14.3 | 0 | 0 | 0 | 111.4 | R265 E295 Q296 A303 | R265-N299 PolarHBondContact NH2-OD1 3.48Å; E295-N299 WeakPolarHBondContact CG-ND2 3.31Å; E295-N299 VanDerWaalsContact O-CB 3.29Å; E295-N299 WeakPolarHBondContact O-CB 3.48Å; E295-N299 PolarHBondContact O-N 2.91Å; E295-N299 PolarHBondContact O-ND2 3.35Å; Q296-N299 PolarHBondContact O-N 3.45Å; N299-A303 WeakPolarHBondContact O-CB 3.33Å; N299-A303 PolarHBondContact O-N 3.3Å |
| 300 | S | 94.7 | Very high | 89.6 | Confident | 57 Ų | 57 | 52 Ų | 52 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 176 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | K197 Q296 L298 A303 E304 | K197-S300 PolarHBondContact NZ-O 3.47Å; K197-S300 PolarHBondContact NZ-OG 2.86Å; Q296-S300 WeakPolarHBondContact O-CB 3.46Å; Q296-S300 PolarHBondContact O-N 3.4Å; L298-S300 VanDerWaalsContact C-N 3.28Å; L298-S300 PolarHBondContact O-N 3.24Å; S300-A303 PolarHBondContact O-N 3.35Å; S300-E304 PolarHBondContact O-N 2.9Å |
| 301 | W | 94.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.1 | -88 | 111 | 0 | 0 | 0 | 111.8 | K197 A199 L201 L222 F278 Q297 L298 A303 L305 | K197-W301 HydrophobicContact CB-CH2 4.26Å; K197-W301 HydrophobicContact CB-CZ3 4.5Å; K197-W301 HydrophobicContact CD-CD2 4.12Å; K197-W301 HydrophobicContact CD-CE3 4.17Å; K197-W301 HydrophobicContact CD-CH2 4.22Å; K197-W301 HydrophobicContact CD-CZ2 4.17Å; K197-W301 HydrophobicContact CD-CZ3 4.22Å; K197-W301 HydrophobicContact CG-CH2 3.75Å; K197-W301 HydrophobicContact CG-CZ2 3.74Å; K197-W301 HydrophobicContact CG-CZ3 4.18Å; A199-W301 HydrophobicContact CB-CZ2 3.73Å; L201-W301 HydrophobicContact CD1-CZ2 4.37Å; L222-W301 HydrophobicContact CB-CH2 4.02Å; L222-W301 HydrophobicContact CB-CZ2 4.33Å; L222-W301 HydrophobicContact CD2-CD2 4.39Å; L222-W301 HydrophobicContact CD2-CE3 3.92Å; L222-W301 HydrophobicContact CD2-CH2 3.89Å; L222-W301 HydrophobicContact CD2-CZ2 4.35Å; L222-W301 HydrophobicContact CD2-CZ3 3.66Å; L222-W301 HydrophobicContact CG-CH2 3.82Å; L222-W301 HydrophobicContact CG-CZ2 4.49Å; L222-W301 HydrophobicContact CG-CZ3 3.9Å; L222-W301 WeakPolarHBondContact O-CH2 3.35Å; F278-W301 HydrophobicContact CE1-CB 3.95Å; F278-W301 HydrophobicContact CE1-CG 4.26Å; F278-W301 HydrophobicContact CZ-CB 4.24Å; F278-W301 HydrophobicContact CZ-CG 4.46Å; Q297-W301 WeakPolarHBondContact O-CB 3.4Å; Q297-W301 VanDerWaalsContact O-CD1 3.29Å; Q297-W301 PolarHBondContact O-N 2.87Å; L298-W301 PolarHBondContact O-N 2.86Å; W301-A303 VanDerWaalsContact C-N 3.34Å; W301-A303 PolarHBondContact O-N 3.2Å; W301-L305 HydrophobicContact CE3-CD1 4.21Å; W301-L305 HydrophobicContact CE3-CG 4.3Å; W301-L305 WeakPolarHBondContact O-CB 3.46Å; W301-L305 VanDerWaalsContact O-CG 3.29Å; W301-L305 WeakPolarHBondContact O-CG 3.42Å; W301-L305 PolarHBondContact O-N 2.63Å; W301-L305 VanDerWaalsContact O-N 3.08Å |
| 302 | M | 93.3 | Very high | 85.2 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.039 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.4 | -77.3 | -63.2 | -48.7 | 0 | 0 | 112.8 | V263 R265 F278 L298 R306 | V263-M302 HydrophobicContact CG1-CE 4.06Å; V263-M302 HydrophobicContact CG1-SD 3.9Å; V263-M302 WeakPolarHBondContact O-CE 3.49Å; R265-M302 HydrophobicContact CG-CG 4.47Å; R265-M302 HydrophobicContact CG-SD 4.41Å; F278-M302 HydrophobicContact CB-SD 3.71Å; F278-M302 HydrophobicContact CG-SD 4.3Å; L298-M302 HydrophobicContact CD1-CG 4.29Å; L298-M302 HydrophobicContact CG-CG 4.33Å; L298-M302 WeakPolarHBondContact O-CB 3.44Å; L298-M302 WeakPolarHBondContact O-CG 3.35Å; L298-M302 PolarHBondContact O-N 3.43Å; M302-R306 VanDerWaalsContact CE-NE 3.32Å; M302-R306 WeakPolarHBondContact O-CB 3.45Å; M302-R306 VanDerWaalsContact O-CD 3.29Å; M302-R306 WeakPolarHBondContact O-CD 3.39Å; M302-R306 WeakPolarHBondContact O-CG 3.29Å; M302-R306 PolarHBondContact O-N 2.85Å |
| 303 | A | 90.9 | Very high | 82.6 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.9 | -53.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | N299 S300 W301 R306 E307 | N299-A303 WeakPolarHBondContact O-CB 3.33Å; N299-A303 PolarHBondContact O-N 3.3Å; S300-A303 PolarHBondContact O-N 3.35Å; W301-A303 VanDerWaalsContact C-N 3.34Å; W301-A303 PolarHBondContact O-N 3.2Å; A303-R306 PolarHBondContact O-N 2.87Å; A303-E307 PolarHBondContact O-N 3.16Å |
| 304 | E | 91.3 | Very high | 80.1 | Confident | 38 Ų | 38 | 79 Ų | 79 | 18% | 0.178 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.1 | -48 | 179.5 | -91.4 | 164.3 | 86.1 | 0 | 0 | 112.3 | K197 L224 S300 R306 E307 C308 | K197-E304 VanDerWaalsContact CB-OE1 3.23Å; K197-E304 WeakPolarHBondContact CB-OE1 3.36Å; K197-E304 WeakPolarHBondContact CD-OE1 3.43Å; K197-E304 WeakPolarHBondContact CD-OE2 3.24Å; K197-E304 WeakPolarHBondContact CE-OE2 3.35Å; K197-E304 IonicContact NZ-OE2 2.71Å; K197-E304 PolarHBondContact NZ-OE2 2.89Å; L224-E304 HydrophobicContact CD2-CB 4.04Å; L224-E304 HydrophobicContact CD2-CG 4.46Å; S300-E304 PolarHBondContact O-N 2.9Å; E304-R306 PolarHBondContact O-N 2.89Å; E304-R306 VanDerWaalsContact O-N 3.13Å; E304-E307 WeakPolarHBondContact O-CB 3.48Å; E304-E307 PolarHBondContact O-N 3.2Å; E304-E307 VanDerWaalsContact O-N 3.13Å; E304-C308 PolarHBondContact O-N 2.93Å; E304-C308 PolarHBondContact O-SG 2.86Å |
| 305 | L | 90.9 | Very high | 77.3 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.9 | -27.7 | -179.9 | -69.9 | 171.7 | 0 | 0 | 0 | 112.2 | L240 V263 F278 W301 T309 | L240-L305 HydrophobicContact CD1-CD2 3.67Å; L240-L305 HydrophobicContact CD2-CD2 3.84Å; L240-L305 HydrophobicContact CG-CD2 4.4Å; V263-L305 HydrophobicContact CG1-CB 3.88Å; V263-L305 HydrophobicContact CG1-CD1 4.14Å; V263-L305 HydrophobicContact CG2-CB 4.12Å; F278-L305 HydrophobicContact CD2-CD1 4.34Å; F278-L305 HydrophobicContact CE2-CD1 3.55Å; F278-L305 HydrophobicContact CZ-CD1 3.94Å; W301-L305 HydrophobicContact CE3-CD1 4.21Å; W301-L305 HydrophobicContact CE3-CG 4.3Å; W301-L305 WeakPolarHBondContact O-CB 3.46Å; W301-L305 VanDerWaalsContact O-CG 3.29Å; W301-L305 WeakPolarHBondContact O-CG 3.42Å; W301-L305 PolarHBondContact O-N 2.63Å; W301-L305 VanDerWaalsContact O-N 3.08Å; L305-T309 WeakPolarHBondContact O-CG2 3.35Å |
| 306 | R | 89.1 | Confident | 74.5 | Confident | 136 Ų | 136 | 83.4 Ų | 83.4 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.9 | -44.5 | 173.1 | -76.8 | 172.1 | 171.9 | -103.9 | -6.8 | 112.9 | V263 M302 A303 E304 C308 T309 | V263-R306 HydrophobicContact CB-CG 4.48Å; V263-R306 PolarHBondContact O-NE 2.99Å; V263-R306 PolarHBondContact O-NH2 2.98Å; M302-R306 VanDerWaalsContact CE-NE 3.32Å; M302-R306 WeakPolarHBondContact O-CB 3.45Å; M302-R306 VanDerWaalsContact O-CD 3.29Å; M302-R306 WeakPolarHBondContact O-CD 3.39Å; M302-R306 WeakPolarHBondContact O-CG 3.29Å; M302-R306 PolarHBondContact O-N 2.85Å; A303-R306 PolarHBondContact O-N 2.87Å; E304-R306 PolarHBondContact O-N 2.89Å; E304-R306 VanDerWaalsContact O-N 3.13Å; R306-C308 PolarHBondContact O-N 2.79Å; R306-T309 PolarHBondContact O-N 3.25Å; R306-T309 PolarHBondContact O-OG1 3.31Å |
| 307 | E | 85.4 | Confident | 71.4 | Confident | 116 Ų | 116 | 83.6 Ų | 83.6 | 54% | 0.542 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -52.4 | -42.3 | 171.9 | -167.5 | -154.7 | 169.6 | 0 | 0 | 110.6 | R238 A303 E304 T309 G310 | R238-E307 IonicContact CZ-OE1 2.68Å; R238-E307 IonicContact CZ-OE2 3.05Å; R238-E307 IonicContact NH1-OE1 3.29Å; R238-E307 PolarHBondContact NH1-OE1 2.85Å; R238-E307 IonicContact NH1-OE2 3.26Å; R238-E307 PolarHBondContact NH1-OE2 3.21Å; R238-E307 VanDerWaalsContact NH2-CD 3.29Å; R238-E307 IonicContact NH2-OE1 3.33Å; R238-E307 PolarHBondContact NH2-OE1 2.8Å; R238-E307 IonicContact NH2-OE2 2.69Å; A303-E307 PolarHBondContact O-N 3.16Å; E304-E307 WeakPolarHBondContact O-CB 3.48Å; E304-E307 PolarHBondContact O-N 3.2Å; E304-E307 VanDerWaalsContact O-N 3.13Å; E307-T309 PolarHBondContact O-N 3.3Å; E307-G310 PolarHBondContact O-N 2.9Å |
| 308 | C | 81.1 | Confident | 68.3 | Low | 14 Ų | 14 | 85.3 Ų | 85.3 | 10% | 0.095 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15 | 179 | -56.8 | 0 | 0 | 0 | 0 | 114.7 | L224 R238 C257 E304 R306 G310 | L224-C308 VanDerWaalsContact CD2-SG 3.5Å; R238-C308 HydrophobicContact CB-CB 4.45Å; R238-C308 WeakPolarHBondContact CD-SG 3.25Å; R238-C308 PolarHBondContact NH1-SG 3.01Å; C257-C308 HydrophobicContact CB-CB 3.55Å; C257-C308 WeakPolarHBondContact CB-O 3.21Å; E304-C308 PolarHBondContact O-N 2.93Å; E304-C308 PolarHBondContact O-SG 2.86Å; R306-C308 PolarHBondContact O-N 2.79Å; C308-G310 VanDerWaalsContact C-N 3.34Å |
| 309 | T | 81.3 | Confident | 65.2 | Low | 36 Ų | 36 | 91.2 Ų | 91.2 | 22% | 0.221 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0.7 | 177 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | I260 V263 L305 R306 E307 R311 | I260-T309 HydrophobicContact CB-CG2 3.81Å; I260-T309 HydrophobicContact CG2-CG2 3.85Å; V263-T309 HydrophobicContact CG2-CG2 4.48Å; L305-T309 WeakPolarHBondContact O-CG2 3.35Å; R306-T309 PolarHBondContact O-N 3.25Å; R306-T309 PolarHBondContact O-OG1 3.31Å; E307-T309 PolarHBondContact O-N 3.3Å; T309-R311 PolarHBondContact O-N 3.44Å |
| 310 | G | 61.9 | Low | 62.1 | Low | 61 Ų | 61 | 96.1 Ų | 96.1 | 63% | 0.629 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 69.6 | -15.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E307 C308 G312 | E307-G310 PolarHBondContact O-N 2.9Å; C308-G310 VanDerWaalsContact C-N 3.34Å; G310-G312 PolarHBondContact O-N 3.06Å |
| 311 | R | 55.8 | Low | 58.7 | Low | 230 Ų | 230 | 101.1 Ų | 101.1 | 87% | 0.868 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 45.5 | 179.8 | -61 | -172.3 | -178.6 | -77.6 | -0.1 | 113.8 | T309 | T309-R311 PolarHBondContact O-N 3.44Š|
| 312 | G | 41 | Very low | 55.9 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | -3.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G310 | G310-G312 PolarHBondContact O-N 3.06Š|
| 313 | L | 39.6 | Very low | 53 | Low | 162 Ų | 162 | 112.2 Ų | 112.2 | 85% | 0.848 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -141.9 | 45.7 | -171.9 | -159.6 | 76.2 | 0 | 0 | 0 | 114.1 | ||
| 314 | E | 36.8 | Very low | 50 | Low | 196 Ų | 196 | 114.6 Ų | 114.6 | 92% | 0.916 | 63% | 0.633 | S | S | * | * | trans | -162.4 | 105.9 | 160.8 | -121.4 | -178.8 | 171.9 | 0 | 0 | 111.4 | ||||
| 315 | S | 30.8 | Very low | 46.8 | Very low | 127 Ų | 127 | 117 Ų | 117 | 89% | 0.888 | 66% | 0.66 | S | S | * | * | trans | -170.2 | 57.6 | 161.5 | -161.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 316 | T | 32.8 | Very low | 43.9 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -109 | 120.8 | 170.7 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 317 | E | 27.6 | Very low | 41.1 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | 61.9 | 106.9 | 151.9 | -156.8 | 173.9 | 134 | 0 | 0 | 118.8 | E319 | E317-E319 HydrophobicContact CG-CB 4.47Š| ||
| 318 | A | 29.1 | Very low | 38.8 | Very low | 113 Ų | 113 | 125 Ų | 125 | 93% | 0.934 | 72% | 0.716 | S | S | * | * | trans | -134.1 | 71.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 319 | E | 28.2 | Very low | 36.2 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 60% | 0.603 | 74% | 0.744 | S | S | * | * | trans | -92.1 | 132.5 | -178.4 | -161.4 | -165.7 | 150.2 | 0 | 0 | 111.6 | E317 | E317-E319 HydrophobicContact CG-CB 4.47Š| ||
| 320 | M | 27.6 | Very low | 33.7 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -175.7 | 130.9 | 156.1 | -103.3 | 172.1 | -166.8 | 0 | 0 | 107.9 | ||||
| 321 | H | 24.3 | Very low | 32.1 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | cis | -138.8 | 142.7 | 6 | -85.1 | -84.9 | 0 | 0 | 0 | 112.2 | ||||
| 322 | I | 35.1 | Very low | 30.7 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -95.9 | 160 | 149.6 | -29.6 | 178.1 | 0 | 0 | 0 | 107.9 | ||||
| 323 | P | 33.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -149.8 | 173 | 100.4 | 38.8 | -23.3 | 0 | 0 | 0 | 114.6 | |||||
| 324 | S | 27.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | 177.9 | 140.6 | -32 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 325 | A | 25 | Very low | 30.5 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -162.9 | 105.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 326 | L | 29.1 | Very low | 30.2 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | 64.3 | 89.9 | 143.1 | -61.7 | 161.8 | 0 | 0 | 0 | 120.8 | ||||
| 327 | E | 29.8 | Very low | 30 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 32.3 | 159.6 | 101.3 | -71.2 | -55.1 | 117.9 | 0 | 0 | 121.8 | |||||
| 328 | P | 37.8 | Very low | 30.1 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | cis | -140.6 | 142.7 | -2.5 | 27.6 | -3.6 | 0 | 0 | 0 | 119.1 | ||||
| 329 | S | 26.4 | Very low | 30 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | 59.5 | 161.4 | 127.9 | -65.9 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 330 | T | 28.9 | Very low | 30 | Very low | 141 Ų | 141 | 127 Ų | 127 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | trans | 86.1 | 133.9 | 169.9 | 72.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 331 | S | 27.6 | Very low | 30 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | -151.3 | -179.6 | -3 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 332 | S | 27.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -70.2 | 173.3 | -177.7 | 59.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 333 | S | 30.9 | Very low | 30.2 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | cis | -160 | -172.4 | 26.9 | -127.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 334 | P | 52.5 | Low | 30.2 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -117.7 | -172 | -148.5 | 45.3 | -40 | 0 | 0 | 0 | 118 | ||||
| 335 | R | 29.6 | Very low | 30.4 | Very low | 251 Ų | 251 | 125.1 Ų | 125.1 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | trans | 85.9 | 114.4 | 149.5 | -170.2 | -169.3 | -172.2 | -153.9 | 4.7 | 118.3 | ||||
| 336 | G | 24.3 | Very low | 30.8 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 173.4 | 114.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 337 | S | 28.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 59.3 | 115.6 | 141.4 | -130.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 338 | T | 30.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | 53.1 | 126.6 | 125.2 | 61.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 339 | D | 26.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 104.7 | 141.6 | 131.6 | -130.4 | -43.9 | 0 | 0 | 0 | 120.7 | ||||
| 340 | S | 27.8 | Very low | 32 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 79.9 | 126.6 | 145.3 | -82.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 341 | L | 28.2 | Very low | 32.6 | Very low | 154 Ų | 154 | 114.4 Ų | 114.4 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | 68.1 | 106 | 148.1 | -86.2 | 73.1 | 0 | 0 | 0 | 121.1 | ||||
| 342 | N | 32.3 | Very low | 33.4 | Very low | 153 Ų | 153 | 113 Ų | 113 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -21.1 | 128.8 | 145.5 | -81.8 | -46.8 | 0 | 0 | 0 | 116.8 | ||||
| 343 | Q | 32.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 112.4 Ų | 112.4 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | -161 | 125.5 | 128.8 | -102.3 | 154.6 | 112.6 | 0 | 0 | 107.8 | |||||
| 344 | G | 33.5 | Very low | 35.3 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | cis | 129.2 | 60.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 345 | A | 30.3 | Very low | 35.3 | Very low | 96 Ų | 96 | 104.1 Ų | 104.1 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | trans | -161.2 | 113.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 346 | S | 34.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 95.4 Ų | 95.4 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | -171 | 147 | 119.7 | -82.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 347 | P | 46.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 100 Ų | 100 | 86% | 0.857 | 63% | 0.628 | S | S | * | * | trans | -104.4 | 163.6 | -164.6 | 39.8 | -34.4 | 0 | 0 | 0 | 114.2 | ||||
| 348 | G | 29.6 | Very low | 40.7 | Very low | 86 Ų | 86 | 96 Ų | 96 | 89% | 0.887 | 60% | 0.599 | S | S | * | * | trans | -170.6 | 47.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 349 | G | 31 | Very low | 42.8 | Very low | 41 Ų | 41 | 91.2 Ų | 91.2 | 42% | 0.423 | 57% | 0.569 | S | S | . | * | trans | -118.9 | 93.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | R268 L351 | R268-G349 PolarHBondContact NH1-O 3.34Å; R268-G349 VanDerWaalsContact NH1-O 3.09Å; G349-L351 PolarHBondContact O-N 3.27Å | ||
| 350 | L | 39.6 | Very low | 45 | Very low | 79 Ų | 79 | 90.9 Ų | 90.9 | 41% | 0.414 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -48.1 | 126.7 | -174.6 | -157.1 | 79.6 | 0 | 0 | 0 | 112.9 | R268 L269 | R268-L350 HydrophobicContact CB-CB 4.3Å; R268-L350 WeakPolarHBondContact CB-O 3.36Å; R268-L350 VanDerWaalsContact CD-O 3.27Å; R268-L350 WeakPolarHBondContact CD-O 3.36Å; R268-L350 PolarHBondContact NE-O 3.13Å; R268-L350 PolarHBondContact NH1-O 2.57Å; R268-L350 VanDerWaalsContact NH1-O 3.11Å; L269-L350 HydrophobicContact CD1-CD2 3.94Å; L269-L350 HydrophobicContact CD2-CD2 3.53Å; L269-L350 HydrophobicContact CG-CD2 3.55Å |
| 351 | L | 41.2 | Very low | 47.4 | Very low | 60 Ų | 60 | 90.3 Ų | 90.3 | 31% | 0.314 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -97 | 173.3 | 179.1 | -82.6 | 159.2 | 0 | 0 | 0 | 110.4 | G349 Q356 | G349-L351 PolarHBondContact O-N 3.27Å; L351-Q356 HydrophobicContact CB-CG 3.34Å; L351-Q356 PolarHBondContact O-NE2 2.9Å |
| 352 | D | 44.5 | Very low | 50 | Low | 88 Ų | 88 | 83.1 Ų | 83.1 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 131.3 | 170.4 | 157.4 | 53.1 | 0 | 0 | 0 | 110.6 | A354 C355 Q356 | D352-A354 VanDerWaalsContact C-N 3.27Å; D352-A354 PolarHBondContact O-N 2.95Å; D352-A354 PolarHBondContact OD1-N 3.13Å; D352-C355 HydrophobicContact CB-CB 3.98Å; D352-C355 PolarHBondContact O-N 2.85Å; D352-C355 VanDerWaalsContact OD2-CB 3.27Å; D352-C355 WeakPolarHBondContact OD2-CB 3.42Å; D352-C355 PolarHBondContact OD2-N 3.33Å; D352-Q356 WeakPolarHBondContact O-CG 3.22Å; D352-Q356 PolarHBondContact O-N 3.29Å |
| 353 | P | 48.8 | Very low | 52.3 | Low | 97 Ų | 97 | 79.3 Ų | 79.3 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.8 | -34.1 | -177 | -28.1 | 36.1 | 0 | 0 | 0 | 115 | K357 | P353-K357 WeakPolarHBondContact O-CB 3.33Å; P353-K357 PolarHBondContact O-N 3.14Å |
| 354 | A | 49.6 | Very low | 54.5 | Low | 44 Ų | 44 | 76.2 Ų | 76.2 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.1 | -49.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D352 Q356 K357 T358 | D352-A354 VanDerWaalsContact C-N 3.27Å; D352-A354 PolarHBondContact O-N 2.95Å; D352-A354 PolarHBondContact OD1-N 3.13Å; A354-Q356 VanDerWaalsContact C-N 3.33Å; A354-Q356 PolarHBondContact O-N 3.49Å; A354-K357 WeakPolarHBondContact O-CB 3.38Å; A354-K357 PolarHBondContact O-N 3.13Å; A354-K357 VanDerWaalsContact O-N 3.12Å; A354-T358 PolarHBondContact O-N 2.95Å; A354-T358 VanDerWaalsContact O-N 3.1Å; A354-T358 PolarHBondContact O-OG1 3.21Å |
| 355 | C | 52 | Low | 56.7 | Low | 8 Ų | 8 | 74 Ų | 74 | 5% | 0.054 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | 174.7 | -166 | 0 | 0 | 0 | 0 | 112.6 | D352 K357 T358 D359 Q396 | D352-C355 HydrophobicContact CB-CB 3.98Å; D352-C355 PolarHBondContact O-N 2.85Å; D352-C355 VanDerWaalsContact OD2-CB 3.27Å; D352-C355 WeakPolarHBondContact OD2-CB 3.42Å; D352-C355 PolarHBondContact OD2-N 3.33Å; C355-K357 VanDerWaalsContact C-N 3.32Å; C355-K357 PolarHBondContact O-N 3.37Å; C355-T358 WeakPolarHBondContact CA-OG1 3.37Å; C355-T358 PolarHBondContact O-N 3.38Å; C355-T358 PolarHBondContact O-OG1 3.07Å; C355-D359 VanDerWaalsContact O-CB 3.24Å; C355-D359 WeakPolarHBondContact O-CB 3.31Å; C355-D359 PolarHBondContact O-N 2.85Å; C355-D359 VanDerWaalsContact O-OD2 3.13Å; C355-D359 PolarHBondContact SG-OD2 3.47Å; C355-Q396 PolarHBondContact SG-NE2 3.46Å |
| 356 | Q | 59.1 | Low | 59.1 | Low | 69 Ų | 69 | 72.6 Ų | 72.6 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 174.5 | -76.2 | -171.5 | 110.6 | 0 | 0 | 112.1 | L351 D352 A354 H360 | L351-Q356 HydrophobicContact CB-CG 3.34Å; L351-Q356 PolarHBondContact O-NE2 2.9Å; D352-Q356 WeakPolarHBondContact O-CG 3.22Å; D352-Q356 PolarHBondContact O-N 3.29Å; A354-Q356 VanDerWaalsContact C-N 3.33Å; A354-Q356 PolarHBondContact O-N 3.49Å; Q356-H360 WeakPolarHBondContact O-CB 3.3Å; Q356-H360 PolarHBondContact O-N 3.18Å |
| 357 | K | 63.3 | Low | 61.7 | Low | 169 Ų | 169 | 66.9 Ų | 66.9 | 74% | 0.735 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68 | -38.5 | 179.9 | -164.5 | 175 | -177.9 | -178.3 | 0 | 111.5 | P353 A354 C355 F361 | P353-K357 WeakPolarHBondContact O-CB 3.33Å; P353-K357 PolarHBondContact O-N 3.14Å; A354-K357 WeakPolarHBondContact O-CB 3.38Å; A354-K357 PolarHBondContact O-N 3.13Å; A354-K357 VanDerWaalsContact O-N 3.12Å; C355-K357 VanDerWaalsContact C-N 3.32Å; C355-K357 PolarHBondContact O-N 3.37Å; K357-F361 WeakPolarHBondContact O-CB 3.47Å; K357-F361 PolarHBondContact O-N 3Å |
| 358 | T | 73.6 | Confident | 63.9 | Low | 24 Ų | 24 | 61.8 Ų | 61.8 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.4 | -42 | 173.1 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | A354 C355 H360 F361 L362 Y404 L421 | A354-T358 PolarHBondContact O-N 2.95Å; A354-T358 VanDerWaalsContact O-N 3.1Å; A354-T358 PolarHBondContact O-OG1 3.21Å; C355-T358 WeakPolarHBondContact CA-OG1 3.37Å; C355-T358 PolarHBondContact O-N 3.38Å; C355-T358 PolarHBondContact O-OG1 3.07Å; T358-H360 PolarHBondContact O-N 3.12Å; T358-F361 PolarHBondContact O-N 3.36Å; T358-L362 WeakPolarHBondContact O-CB 3.05Å; T358-L362 WeakPolarHBondContact O-CG 3.27Å; T358-L362 PolarHBondContact O-N 3.09Å; T358-Y404 PolarHBondContact OG1-OH 2.98Å; T358-L421 HydrophobicContact CG2-CD1 4.36Å |
| 359 | D | 74.3 | Confident | 66.7 | Low | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.112 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.7 | -72.8 | -30.2 | 0 | 0 | 0 | 111.7 | C355 L362 S363 Q396 Y404 | C355-D359 VanDerWaalsContact O-CB 3.24Å; C355-D359 WeakPolarHBondContact O-CB 3.31Å; C355-D359 PolarHBondContact O-N 2.85Å; C355-D359 VanDerWaalsContact O-OD2 3.13Å; C355-D359 PolarHBondContact SG-OD2 3.47Å; D359-L362 PolarHBondContact O-N 3.28Å; D359-S363 WeakPolarHBondContact O-CB 3.44Å; D359-S363 PolarHBondContact O-N 3.15Å; D359-Q396 VanDerWaalsContact CG-NE2 3.31Å; D359-Q396 PolarHBondContact OD1-NE2 2.89Å; D359-Q396 VanDerWaalsContact OD1-NE2 3.11Å; D359-Q396 PolarHBondContact OD2-NE2 3.47Å; D359-Y404 WeakPolarHBondContact OD1-CE1 3.38Å; D359-Y404 VanDerWaalsContact OD1-CZ 3.29Å; D359-Y404 PolarHBondContact OD1-OH 2.91Å |
| 360 | H | 72.3 | Confident | 69.5 | Low | 138 Ų | 138 | 58 Ų | 58 | 64% | 0.639 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65 | -47.4 | 177.3 | -179.1 | 51.1 | 0 | 0 | 0 | 111.6 | Q356 T358 L362 S363 | Q356-H360 WeakPolarHBondContact O-CB 3.3Å; Q356-H360 PolarHBondContact O-N 3.18Å; T358-H360 PolarHBondContact O-N 3.12Å; H360-L362 PolarHBondContact O-N 2.97Å; H360-S363 WeakPolarHBondContact O-CB 3.3Å; H360-S363 PolarHBondContact O-N 3.43Å; H360-S363 PolarHBondContact O-OG 2.99Å |
| 361 | F | 78.6 | Confident | 71.8 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.5 | 169.3 | -99.4 | 0 | 0 | 0 | 112.4 | K357 T358 S363 C364 Y365 W487 | K357-F361 WeakPolarHBondContact O-CB 3.47Å; K357-F361 PolarHBondContact O-N 3Å; T358-F361 PolarHBondContact O-N 3.36Å; F361-S363 VanDerWaalsContact C-N 3.3Å; F361-S363 PolarHBondContact O-N 3.43Å; F361-C364 WeakPolarHBondContact O-CB 3.33Å; F361-C364 PolarHBondContact O-N 3.44Å; F361-Y365 HydrophobicContact CD1-CE2 4.45Å; F361-Y365 AromaticContact CE1-CE2 3.83Å; F361-Y365 HydrophobicContact CE1-CE2 3.83Å; F361-Y365 AromaticContact CE2-CE2 3.98Å; F361-Y365 HydrophobicContact CE2-CE2 3.98Å; F361-Y365 AromaticContact CZ-CE2 3.55Å; F361-Y365 HydrophobicContact CZ-CE2 3.55Å; F361-Y365 AromaticContact CZ-CZ 3.86Å; F361-Y365 VanDerWaalsContact CZ-OH 3.3Å; F361-Y365 WeakPolarHBondContact CZ-OH 3.25Å; F361-W487 HydrophobicContact CE1-CH2 4.44Å; F361-W487 HydrophobicContact CE1-CZ2 4.45Å; F361-W487 HydrophobicContact CE2-CE3 4.33Å; F361-W487 AromaticContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CZ2 4.05Å; F361-W487 AromaticContact CE2-CZ3 3.69Å; F361-W487 HydrophobicContact CE2-CZ3 3.69Å; F361-W487 AromaticContact CZ-CH2 3.34Å; F361-W487 HydrophobicContact CZ-CH2 3.34Å; F361-W487 AromaticContact CZ-CZ2 3.44Å; F361-W487 HydrophobicContact CZ-CZ2 3.44Å; F361-W487 VanDerWaalsContact CZ-CZ2 3.44Å; F361-W487 AromaticContact CZ-CZ3 3.97Å; F361-W487 HydrophobicContact CZ-CZ3 3.97Å |
| 362 | L | 82.4 | Confident | 74.1 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.6 | -27.9 | 177.8 | -68.8 | 171.5 | 0 | 0 | 0 | 112.5 | T358 D359 H360 C364 Y365 W367 F368 Y404 L421 V437 | T358-L362 WeakPolarHBondContact O-CB 3.05Å; T358-L362 WeakPolarHBondContact O-CG 3.27Å; T358-L362 PolarHBondContact O-N 3.09Å; D359-L362 PolarHBondContact O-N 3.28Å; H360-L362 PolarHBondContact O-N 2.97Å; L362-C364 PolarHBondContact O-N 3.15Å; L362-C364 VanDerWaalsContact O-N 3.15Å; L362-Y365 PolarHBondContact O-N 3.12Å; L362-W367 HydrophobicContact CD2-CH2 3.74Å; L362-W367 HydrophobicContact CD2-CZ3 4.11Å; L362-F368 VanDerWaalsContact C-CD1 3.45Å; L362-F368 HydrophobicContact CB-CB 4.39Å; L362-F368 HydrophobicContact CB-CD1 3.73Å; L362-F368 HydrophobicContact CB-CD2 3.86Å; L362-F368 HydrophobicContact CB-CE1 3.79Å; L362-F368 HydrophobicContact CB-CE2 3.95Å; L362-F368 HydrophobicContact CB-CG 3.73Å; L362-F368 HydrophobicContact CB-CZ 3.89Å; L362-F368 HydrophobicContact CD1-CD2 4.26Å; L362-F368 HydrophobicContact CD1-CE2 3.91Å; L362-F368 HydrophobicContact CD1-CZ 4.28Å; L362-F368 VanDerWaalsContact O-CB 3.29Å; L362-F368 WeakPolarHBondContact O-CB 3.28Å; L362-F368 WeakPolarHBondContact O-CD1 3.44Å; L362-Y404 HydrophobicContact CD1-CD1 4.03Å; L362-Y404 HydrophobicContact CD1-CE1 3.65Å; L362-Y404 HydrophobicContact CD1-CE2 4.43Å; L362-L421 HydrophobicContact CD1-CD1 4.03Å; L362-V437 HydrophobicContact CD2-CB 4.3Å; L362-V437 HydrophobicContact CD2-CG2 4.06Å |
| 363 | S | 81.8 | Confident | 76.4 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -15.5 | 176.8 | 76.6 | 0 | 0 | 0 | 0 | 114.6 | D359 H360 F361 Y365 | D359-S363 WeakPolarHBondContact O-CB 3.44Å; D359-S363 PolarHBondContact O-N 3.15Å; H360-S363 WeakPolarHBondContact O-CB 3.3Å; H360-S363 PolarHBondContact O-N 3.43Å; H360-S363 PolarHBondContact O-OG 2.99Å; F361-S363 VanDerWaalsContact C-N 3.3Å; F361-S363 PolarHBondContact O-N 3.43Å; S363-Y365 PolarHBondContact O-N 3.1Å |
| 364 | C | 77.6 | Confident | 78.4 | Confident | 97 Ų | 97 | 58 Ų | 58 | 66% | 0.655 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.6 | 170.9 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | F361 L362 | F361-C364 WeakPolarHBondContact O-CB 3.33Å; F361-C364 PolarHBondContact O-N 3.44Å; L362-C364 PolarHBondContact O-N 3.15Å; L362-C364 VanDerWaalsContact O-N 3.15Å |
| 365 | Y | 79.5 | Confident | 80.5 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -106.3 | 127.2 | -175.4 | -64 | -88.7 | 0 | 0 | 0 | 112.3 | F361 L362 S363 W367 F368 V438 L484 W487 | F361-Y365 HydrophobicContact CD1-CE2 4.45Å; F361-Y365 AromaticContact CE1-CE2 3.83Å; F361-Y365 HydrophobicContact CE1-CE2 3.83Å; F361-Y365 AromaticContact CE2-CE2 3.98Å; F361-Y365 HydrophobicContact CE2-CE2 3.98Å; F361-Y365 AromaticContact CZ-CE2 3.55Å; F361-Y365 HydrophobicContact CZ-CE2 3.55Å; F361-Y365 AromaticContact CZ-CZ 3.86Å; F361-Y365 VanDerWaalsContact CZ-OH 3.3Å; F361-Y365 WeakPolarHBondContact CZ-OH 3.25Å; L362-Y365 PolarHBondContact O-N 3.12Å; S363-Y365 PolarHBondContact O-N 3.1Å; Y365-W367 VanDerWaalsContact CB-CE2 3.48Å; Y365-W367 AromaticContact CD1-CE2 3.81Å; Y365-W367 AromaticContact CD1-CZ2 3.62Å; Y365-W367 HydrophobicContact CD1-CZ2 3.62Å; Y365-W367 AromaticContact CD1-NE1 3.68Å; Y365-W367 HydrophobicContact CD2-CH2 4.38Å; Y365-W367 HydrophobicContact CD2-CZ2 4.1Å; Y365-W367 HydrophobicContact CE1-CZ2 4.32Å; Y365-W367 AromaticContact CG-CE2 3.78Å; Y365-W367 HydrophobicContact CG-CH2 4.12Å; Y365-W367 AromaticContact CG-CZ2 3.48Å; Y365-W367 HydrophobicContact CG-CZ2 3.48Å; Y365-W367 VanDerWaalsContact CG-CZ2 3.48Å; Y365-W367 PolarHBondContact O-N 3.44Å; Y365-W367 VanDerWaalsContact O-N 3.15Å; Y365-F368 WeakPolarHBondContact O-CB 3.32Å; Y365-F368 PolarHBondContact O-N 2.97Å; Y365-V438 HydrophobicContact CD1-CG2 4.42Å; Y365-V438 HydrophobicContact CE1-CG2 3.78Å; Y365-L484 HydrophobicContact CD1-CD2 3.96Å; Y365-L484 HydrophobicContact CE1-CD2 4Å; Y365-W487 PolarHBondContact OH-NE1 2.96Å |
| 366 | P | 80.9 | Confident | 82.4 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11 | -174.3 | 30.9 | -37.7 | 0 | 0 | 0 | 114.2 | F368 Y464 V466 | P366-F368 VanDerWaalsContact C-N 3.34Å; P366-Y464 HydrophobicContact CB-CE2 3.83Å; P366-Y464 HydrophobicContact CG-CE2 3.59Å; P366-V466 HydrophobicContact CB-CG2 4.13Å |
| 367 | W | 89.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.011 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.6 | 169.8 | 50.8 | -106.9 | 0 | 0 | 0 | 113.6 | L362 Y365 F392 V394 V437 V438 L441 Y464 F482 | L362-W367 HydrophobicContact CD2-CH2 3.74Å; L362-W367 HydrophobicContact CD2-CZ3 4.11Å; Y365-W367 VanDerWaalsContact CB-CE2 3.48Å; Y365-W367 AromaticContact CD1-CE2 3.81Å; Y365-W367 AromaticContact CD1-CZ2 3.62Å; Y365-W367 HydrophobicContact CD1-CZ2 3.62Å; Y365-W367 AromaticContact CD1-NE1 3.68Å; Y365-W367 HydrophobicContact CD2-CH2 4.38Å; Y365-W367 HydrophobicContact CD2-CZ2 4.1Å; Y365-W367 HydrophobicContact CE1-CZ2 4.32Å; Y365-W367 AromaticContact CG-CE2 3.78Å; Y365-W367 HydrophobicContact CG-CH2 4.12Å; Y365-W367 AromaticContact CG-CZ2 3.48Å; Y365-W367 HydrophobicContact CG-CZ2 3.48Å; Y365-W367 VanDerWaalsContact CG-CZ2 3.48Å; Y365-W367 PolarHBondContact O-N 3.44Å; Y365-W367 VanDerWaalsContact O-N 3.15Å; W367-F392 HydrophobicContact CB-CE2 4.33Å; W367-V394 HydrophobicContact CE3-CB 3.73Å; W367-V394 HydrophobicContact CE3-CG2 3.58Å; W367-V394 HydrophobicContact CZ3-CB 3.8Å; W367-V394 HydrophobicContact CZ3-CG1 4.31Å; W367-V394 HydrophobicContact CZ3-CG2 3.72Å; W367-V394 PolarHBondContact O-N 3.2Å; W367-V437 HydrophobicContact CH2-CB 4.07Å; W367-V437 HydrophobicContact CH2-CG1 3.46Å; W367-V437 VanDerWaalsContact CH2-CG1 3.46Å; W367-V437 HydrophobicContact CZ2-CG1 4.36Å; W367-V437 HydrophobicContact CZ3-CG1 3.74Å; W367-V438 HydrophobicContact CZ2-CG2 4.03Å; W367-L441 HydrophobicContact CD2-CD1 3.73Å; W367-L441 HydrophobicContact CE3-CD1 3.99Å; W367-L441 HydrophobicContact CG-CD1 4.32Å; W367-L441 HydrophobicContact CH2-CD1 4.09Å; W367-L441 HydrophobicContact CZ2-CD1 3.8Å; W367-L441 HydrophobicContact CZ3-CD1 4.17Å; W367-Y464 HydrophobicContact CB-CD2 3.77Å; W367-Y464 HydrophobicContact CB-CG 3.93Å; W367-F482 AromaticContact CD1-CE2 3.6Å; W367-F482 HydrophobicContact CG-CE2 4.26Å; W367-F482 AromaticContact NE1-CE2 3.96Å |
| 368 | F | 92.1 | Very high | 85.5 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -98.3 | 124.9 | 177.7 | 179.5 | -108.8 | 0 | 0 | 0 | 111.6 | L362 Y365 P366 V394 Y404 | L362-F368 VanDerWaalsContact C-CD1 3.45Å; L362-F368 HydrophobicContact CB-CB 4.39Å; L362-F368 HydrophobicContact CB-CD1 3.73Å; L362-F368 HydrophobicContact CB-CD2 3.86Å; L362-F368 HydrophobicContact CB-CE1 3.79Å; L362-F368 HydrophobicContact CB-CE2 3.95Å; L362-F368 HydrophobicContact CB-CG 3.73Å; L362-F368 HydrophobicContact CB-CZ 3.89Å; L362-F368 HydrophobicContact CD1-CD2 4.26Å; L362-F368 HydrophobicContact CD1-CE2 3.91Å; L362-F368 HydrophobicContact CD1-CZ 4.28Å; L362-F368 VanDerWaalsContact O-CB 3.29Å; L362-F368 WeakPolarHBondContact O-CB 3.28Å; L362-F368 WeakPolarHBondContact O-CD1 3.44Å; Y365-F368 WeakPolarHBondContact O-CB 3.32Å; Y365-F368 PolarHBondContact O-N 2.97Å; P366-F368 VanDerWaalsContact C-N 3.34Å; F368-V394 WeakPolarHBondContact CA-O 3.32Å; F368-V394 HydrophobicContact CD2-CB 4.35Å; F368-V394 HydrophobicContact CD2-CG1 4.21Å; F368-Y404 AromaticContact CE2-CD1 3.83Å; F368-Y404 HydrophobicContact CE2-CD1 3.83Å; F368-Y404 AromaticContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CZ-CD1 4.48Å; F368-Y404 AromaticContact CZ-CE1 3.97Å; F368-Y404 HydrophobicContact CZ-CE1 3.97Å |
| 369 | H | 89.4 | Confident | 86.4 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | trans | -110 | 9.8 | -172.6 | -72.8 | -136.8 | 0 | 0 | 0 | 113.1 | I372 L393 V394 V465 | H369-I372 HydrophobicContact CB-CB 4.24Å; H369-I372 HydrophobicContact CB-CG2 3.48Å; H369-I372 VanDerWaalsContact CB-CG2 3.48Å; H369-L393 HydrophobicContact CB-CD1 4.25Å; H369-V394 PolarHBondContact N-O 2.86Å; H369-V465 PolarHBondContact NE2-O 3.5Å | ||
| 370 | G | 88.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 58.9 | -142.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I372 R395 Q396 | G370-I372 PolarHBondContact O-N 3.44Å; G370-R395 WeakPolarHBondContact O-CA 3.43Å; G370-Q396 PolarHBondContact O-N 3.29Å |
| 371 | P | 88.8 | Confident | 88.1 | Confident | 114 Ų | 114 | 52 Ų | 52 | 74% | 0.74 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -79 | 60.4 | -179.4 | 33.9 | -36.2 | 0 | 0 | 0 | 112.9 | ||
| 372 | I | 90 | Very high | 88.7 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | trans | -87.3 | 138.9 | 171.2 | -174.8 | 162 | 0 | 0 | 0 | 111.4 | H369 G370 K376 A377 L380 L393 R395 | H369-I372 HydrophobicContact CB-CB 4.24Å; H369-I372 HydrophobicContact CB-CG2 3.48Å; H369-I372 VanDerWaalsContact CB-CG2 3.48Å; G370-I372 PolarHBondContact O-N 3.44Å; I372-K376 HydrophobicContact CD1-CB 4.18Å; I372-K376 HydrophobicContact CD1-CD 3.78Å; I372-K376 HydrophobicContact CD1-CG 3.88Å; I372-K376 HydrophobicContact CG1-CB 3.94Å; I372-K376 HydrophobicContact CG1-CD 4Å; I372-K376 HydrophobicContact CG1-CG 4.15Å; I372-A377 HydrophobicContact CG2-CB 4.46Å; I372-L380 HydrophobicContact CD1-CD1 3.48Å; I372-L380 VanDerWaalsContact CD1-CD1 3.48Å; I372-L393 HydrophobicContact CG2-CD1 4.2Å; I372-R395 HydrophobicContact CG2-CB 3.36Å; I372-R395 HydrophobicContact CG2-CG 4.27Å; I372-R395 PolarHBondContact O-NH1 3.27Å | ||
| 373 | S | 91.8 | Very high | 88.8 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -69.3 | 157.2 | -176.1 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | V375 K376 A377 E398 | S373-V375 VanDerWaalsContact C-N 3.25Å; S373-V375 PolarHBondContact O-N 3.39Å; S373-K376 PolarHBondContact O-N 3.07Å; S373-K376 WeakPolarHBondContact OG-CB 3.35Å; S373-K376 PolarHBondContact OG-N 3.23Å; S373-A377 VanDerWaalsContact O-CB 3.22Å; S373-A377 WeakPolarHBondContact O-CB 3.3Å; S373-A377 PolarHBondContact O-N 2.78Å; S373-E398 WeakPolarHBondContact CA-OE1 3.45Å; S373-E398 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 374 | R | 91.6 | Very high | 88.7 | Confident | 144 Ų | 144 | 58.4 Ų | 58.4 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -54.9 | -43.5 | 177.4 | -173 | -179.3 | 173.2 | -172 | -6.3 | 111.6 | A378 E398 H416 | R374-A378 VanDerWaalsContact O-CB 3.28Å; R374-A378 WeakPolarHBondContact O-CB 3.14Å; R374-A378 PolarHBondContact O-N 3.22Å; R374-E398 WeakPolarHBondContact CB-OE2 3.25Å; R374-E398 PolarHBondContact N-OE1 3.03Å; R374-E398 PolarHBondContact N-OE2 2.71Å; R374-H416 WeakPolarHBondContact CG-NE2 3.48Å; R374-H416 PolarHBondContact NE-CD2 3.43Å; R374-H416 PolarHBondContact NE-NE2 2.92Å; R374-H416 PolarHBondContact NH2-CD2 3Å |
| 375 | V | 93.5 | Very high | 89 | Confident | 96 Ų | 96 | 55 Ų | 55 | 58% | 0.582 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.7 | -48.7 | -177.6 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | S373 A377 A378 Q379 | S373-V375 VanDerWaalsContact C-N 3.25Å; S373-V375 PolarHBondContact O-N 3.39Å; V375-A377 PolarHBondContact O-N 3.47Å; V375-A378 PolarHBondContact O-N 3.31Å; V375-Q379 VanDerWaalsContact O-CG 3.31Å; V375-Q379 WeakPolarHBondContact O-CG 3.41Å; V375-Q379 PolarHBondContact O-N 2.83Å |
| 376 | K | 91.5 | Very high | 89.2 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67 | -38 | 179.3 | -166.1 | -177.4 | 170.9 | -177 | 0 | 111.7 | I372 S373 Q379 L380 | I372-K376 HydrophobicContact CD1-CB 4.18Å; I372-K376 HydrophobicContact CD1-CD 3.78Å; I372-K376 HydrophobicContact CD1-CG 3.88Å; I372-K376 HydrophobicContact CG1-CB 3.94Å; I372-K376 HydrophobicContact CG1-CD 4Å; I372-K376 HydrophobicContact CG1-CG 4.15Å; S373-K376 PolarHBondContact O-N 3.07Å; S373-K376 WeakPolarHBondContact OG-CB 3.35Å; S373-K376 PolarHBondContact OG-N 3.23Å; K376-Q379 PolarHBondContact O-N 2.86Å; K376-L380 WeakPolarHBondContact O-CB 3.48Å; K376-L380 VanDerWaalsContact O-CG 3.28Å; K376-L380 WeakPolarHBondContact O-CG 3.49Å; K376-L380 PolarHBondContact O-N 2.95Å |
| 377 | A | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I372 S373 V375 V381 L393 R395 T407 | I372-A377 HydrophobicContact CG2-CB 4.46Å; S373-A377 VanDerWaalsContact O-CB 3.22Å; S373-A377 WeakPolarHBondContact O-CB 3.3Å; S373-A377 PolarHBondContact O-N 2.78Å; V375-A377 PolarHBondContact O-N 3.47Å; A377-V381 PolarHBondContact O-N 3.2Å; A377-L393 HydrophobicContact CB-CD1 3.99Å; A377-L393 HydrophobicContact CB-CD2 4.38Å; A377-R395 VanDerWaalsContact CB-CD 3.47Å; A377-T407 HydrophobicContact CB-CG2 4.01Å |
| 378 | A | 93.4 | Very high | 89.2 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R374 V375 L380 V381 Q382 A414 | R374-A378 VanDerWaalsContact O-CB 3.28Å; R374-A378 WeakPolarHBondContact O-CB 3.14Å; R374-A378 PolarHBondContact O-N 3.22Å; V375-A378 PolarHBondContact O-N 3.31Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 2.88Å; A378-V381 WeakPolarHBondContact O-CG2 3.22Å; A378-V381 PolarHBondContact O-N 3.25Å; A378-Q382 WeakPolarHBondContact O-CB 3.44Å; A378-Q382 VanDerWaalsContact O-CG 3.22Å; A378-Q382 WeakPolarHBondContact O-CG 3.18Å; A378-Q382 PolarHBondContact O-N 3.14Å; A378-Q382 PolarHBondContact O-OE1 3.17Å; A378-A414 HydrophobicContact CB-CB 3.51Å |
| 379 | Q | 91.8 | Very high | 89.1 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -51 | -49.8 | 175.4 | -73.1 | 167.5 | -23.9 | 0 | 0 | 111.9 | V375 K376 V381 Q382 L383 | V375-Q379 VanDerWaalsContact O-CG 3.31Å; V375-Q379 WeakPolarHBondContact O-CG 3.41Å; V375-Q379 PolarHBondContact O-N 2.83Å; K376-Q379 PolarHBondContact O-N 2.86Å; Q379-V381 PolarHBondContact O-N 3.36Å; Q379-Q382 CarbonylContact O-C 3.54Å; Q379-Q382 PolarHBondContact O-N 3.2Å; Q379-Q382 VanDerWaalsContact O-N 3.16Å; Q379-L383 PolarHBondContact O-N 2.95Å; Q379-L383 VanDerWaalsContact O-N 3.13Å |
| 380 | L | 91.3 | Very high | 89 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.7 | -43 | -178.6 | -76.4 | 173.7 | 0 | 0 | 0 | 113.9 | I372 K376 A378 Q382 L383 L393 V465 V467 T477 | I372-L380 HydrophobicContact CD1-CD1 3.48Å; I372-L380 VanDerWaalsContact CD1-CD1 3.48Å; K376-L380 WeakPolarHBondContact O-CB 3.48Å; K376-L380 VanDerWaalsContact O-CG 3.28Å; K376-L380 WeakPolarHBondContact O-CG 3.49Å; K376-L380 PolarHBondContact O-N 2.95Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 2.88Å; L380-Q382 VanDerWaalsContact C-N 3.33Å; L380-L383 HydrophobicContact CD2-CD1 4.29Å; L380-L393 HydrophobicContact CB-CD2 4.03Å; L380-L393 HydrophobicContact CD1-CD2 4.07Å; L380-V465 HydrophobicContact CB-CG1 4.15Å; L380-V465 HydrophobicContact CD1-CG1 4.49Å; L380-V465 HydrophobicContact CD2-CG1 4.35Å; L380-V467 HydrophobicContact CD1-CG2 3.79Å; L380-V467 HydrophobicContact CD2-CG2 3.86Å; L380-T477 HydrophobicContact CD2-CG2 3.86Å; L380-T477 WeakPolarHBondContact CD2-OG1 3.48Å |
| 381 | V | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -78.3 | -19.4 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | A377 A378 Q379 V391 L393 T407 N409 A414 V465 | A377-V381 PolarHBondContact O-N 3.2Å; A378-V381 WeakPolarHBondContact O-CG2 3.22Å; A378-V381 PolarHBondContact O-N 3.25Å; Q379-V381 PolarHBondContact O-N 3.36Å; V381-V391 HydrophobicContact CB-CG1 4.37Å; V381-V391 HydrophobicContact CG1-CG1 4.46Å; V381-L393 HydrophobicContact CG1-CD2 3.99Å; V381-L393 HydrophobicContact CG1-CG 4.24Å; V381-T407 HydrophobicContact CG1-CG2 4.47Å; V381-T407 HydrophobicContact CG2-CG2 4.1Å; V381-N409 HydrophobicContact CB-CB 4.09Å; V381-N409 HydrophobicContact CG2-CB 4.14Å; V381-N409 WeakPolarHBondContact O-CB 3.47Å; V381-N409 PolarHBondContact O-ND2 3.4Å; V381-A414 HydrophobicContact CG2-CB 4.04Å; V381-V465 HydrophobicContact CG1-CG2 3.95Å |
| 382 | Q | 91.8 | Very high | 89.5 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -93.1 | -0.6 | 179.8 | -66.9 | 177.2 | -80.6 | 0 | 0 | 114.1 | A378 Q379 L380 Q384 G385 G412 A414 | A378-Q382 WeakPolarHBondContact O-CB 3.44Å; A378-Q382 VanDerWaalsContact O-CG 3.22Å; A378-Q382 WeakPolarHBondContact O-CG 3.18Å; A378-Q382 PolarHBondContact O-N 3.14Å; A378-Q382 PolarHBondContact O-OE1 3.17Å; Q379-Q382 CarbonylContact O-C 3.54Å; Q379-Q382 PolarHBondContact O-N 3.2Å; Q379-Q382 VanDerWaalsContact O-N 3.16Å; L380-Q382 VanDerWaalsContact C-N 3.33Å; Q382-Q384 PolarHBondContact O-N 3.08Å; Q382-G385 PolarHBondContact O-N 3.44Å; Q382-G412 PolarHBondContact NE2-O 2.94Å; Q382-A414 HydrophobicContact CG-CB 3.97Å |
| 383 | L | 84.3 | Confident | 89.8 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 58% | 0.581 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30 | -175.2 | -83.7 | 171.7 | 0 | 0 | 0 | 115.3 | Q379 L380 T477 | Q379-L383 PolarHBondContact O-N 2.95Å; Q379-L383 VanDerWaalsContact O-N 3.13Å; L380-L383 HydrophobicContact CD2-CD1 4.29Å; L383-T477 HydrophobicContact CD1-CG2 3.67Å |
| 384 | Q | 79.3 | Confident | 90 | Very high | 107 Ų | 107 | 52.1 Ų | 52.1 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 21.7 | 178 | -54.4 | 176.1 | -27.5 | 0 | 0 | 112.4 | Q382 D387 A388 | Q382-Q384 PolarHBondContact O-N 3.08Å; Q384-D387 PolarHBondContact O-N 2.92Å; Q384-A388 HydrophobicContact CB-CB 3.89Å |
| 385 | G | 83 | Confident | 90.1 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 26% | 0.258 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | 55.3 | -131 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q382 D387 N409 G412 | Q382-G385 PolarHBondContact O-N 3.44Å; G385-D387 VanDerWaalsContact C-N 3.32Å; G385-D387 PolarHBondContact O-N 2.94Å; G385-N409 PolarHBondContact O-ND2 3.44Å; G385-G412 WeakPolarHBondContact O-CA 3.27Å |
| 386 | P | 83.8 | Confident | 90 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 54% | 0.539 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -69.8 | -25.7 | -178 | 31 | -35.5 | 0 | 0 | 0 | 113.7 | A388 H389 | P386-A388 PolarHBondContact O-N 3.16Å; P386-H389 WeakPolarHBondContact O-CB 3.33Å; P386-H389 PolarHBondContact O-N 3.18Å; P386-H389 VanDerWaalsContact O-N 3.1Å |
| 387 | D | 85.2 | Confident | 89.9 | Confident | 144 Ų | 144 | 38.1 Ų | 38.1 | 77% | 0.77 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -68.6 | -25 | -176.8 | -57.9 | -30.7 | 0 | 0 | 0 | 111.8 | Q384 G385 H389 | Q384-D387 PolarHBondContact O-N 2.92Å; G385-D387 VanDerWaalsContact C-N 3.32Å; G385-D387 PolarHBondContact O-N 2.94Å; D387-H389 PolarHBondContact O-N 3.38Å; D387-H389 VanDerWaalsContact O-N 3.12Å |
| 388 | A | 85.5 | Confident | 89.5 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -76.1 | 23.1 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q384 P386 G390 V391 N409 | Q384-A388 HydrophobicContact CB-CB 3.89Å; P386-A388 PolarHBondContact O-N 3.16Å; A388-G390 PolarHBondContact O-N 2.99Å; A388-V391 HydrophobicContact CB-CB 3.96Å; A388-V391 HydrophobicContact CB-CG2 3.56Å; A388-V391 WeakPolarHBondContact O-CB 3.28Å; A388-V391 WeakPolarHBondContact O-CG2 3.26Å; A388-V391 PolarHBondContact O-N 3.11Å; A388-N409 VanDerWaalsContact CB-ND2 3.28Å; A388-N409 WeakPolarHBondContact CB-ND2 3.47Å; A388-N409 VanDerWaalsContact O-CB 3.24Å; A388-N409 WeakPolarHBondContact O-CB 3.3Å; A388-N409 VanDerWaalsContact O-CG 3.24Å; A388-N409 PolarHBondContact O-ND2 3.18Å |
| 389 | H | 89.8 | Confident | 88.7 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 27% | 0.269 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 126.8 | 176.5 | -170.9 | 107.4 | 0 | 0 | 0 | 111.6 | P386 D387 V391 Q411 V459 S462 | P386-H389 WeakPolarHBondContact O-CB 3.33Å; P386-H389 PolarHBondContact O-N 3.18Å; P386-H389 VanDerWaalsContact O-N 3.1Å; D387-H389 PolarHBondContact O-N 3.38Å; D387-H389 VanDerWaalsContact O-N 3.12Å; H389-V391 VanDerWaalsContact C-N 3.27Å; H389-V391 PolarHBondContact O-N 3.13Å; H389-Q411 WeakPolarHBondContact ND1-CG 3.44Å; H389-Q411 PolarHBondContact ND1-N 2.92Å; H389-V459 WeakPolarHBondContact NE2-CA 3.24Å; H389-V459 WeakPolarHBondContact NE2-CB 3.21Å; H389-S462 PolarHBondContact O-OG 3.03Å |
| 390 | G | 87.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -2.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A388 N409 R460 S462 | A388-G390 PolarHBondContact O-N 2.99Å; G390-N409 PolarHBondContact N-O 3.26Å; G390-R460 VanDerWaalsContact CA-O 3.3Å; G390-R460 WeakPolarHBondContact CA-O 3.49Å; G390-S462 WeakPolarHBondContact CA-OG 3.43Å; G390-S462 PolarHBondContact O-N 3.28Å; G390-S462 VanDerWaalsContact O-N 3.09Å; G390-S462 PolarHBondContact O-OG 3.37Å |
| 391 | V | 93.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | trans | -64.9 | 135.6 | 171.8 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | V381 A388 H389 F408 N409 S462 S463 V465 L479 | V381-V391 HydrophobicContact CB-CG1 4.37Å; V381-V391 HydrophobicContact CG1-CG1 4.46Å; A388-V391 HydrophobicContact CB-CB 3.96Å; A388-V391 HydrophobicContact CB-CG2 3.56Å; A388-V391 WeakPolarHBondContact O-CB 3.28Å; A388-V391 WeakPolarHBondContact O-CG2 3.26Å; A388-V391 PolarHBondContact O-N 3.11Å; H389-V391 VanDerWaalsContact C-N 3.27Å; H389-V391 PolarHBondContact O-N 3.13Å; V391-F408 CarbonylContact O-C 3.46Å; V391-F408 WeakPolarHBondContact O-CA 3.34Å; V391-N409 PolarHBondContact O-N 2.99Å; V391-S462 PolarHBondContact N-OG 3.25Å; V391-S463 WeakPolarHBondContact CA-O 3.31Å; V391-S463 WeakPolarHBondContact CG2-OG 3.48Å; V391-V465 HydrophobicContact CG1-CG2 3.61Å; V391-L479 HydrophobicContact CG1-CD1 4.35Å; V391-L479 HydrophobicContact CG1-CD2 3.7Å; V391-L479 HydrophobicContact CG2-CD1 3.8Å | ||
| 392 | F | 95.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 170.2 | -175.3 | 75.3 | -85.5 | 0 | 0 | 0 | 116.3 | W367 L406 T407 F408 L441 L461 S463 Y464 V465 F482 | W367-F392 HydrophobicContact CB-CE2 4.33Å; F392-L406 HydrophobicContact CB-CD1 3.87Å; F392-L406 HydrophobicContact CD2-CD1 3.37Å; F392-L406 HydrophobicContact CE2-CD1 4.14Å; F392-L406 HydrophobicContact CG-CD1 3.9Å; F392-T407 CarbonylContact C-O 3.59Å; F392-T407 VanDerWaalsContact CA-O 3.25Å; F392-T407 WeakPolarHBondContact CA-O 3Å; F392-T407 WeakPolarHBondContact CB-O 3.24Å; F392-F408 HydrophobicContact CB-CB 3.6Å; F392-L441 HydrophobicContact CD2-CD2 4.21Å; F392-L441 HydrophobicContact CE2-CD1 3.94Å; F392-L441 HydrophobicContact CE2-CD2 3.54Å; F392-L441 HydrophobicContact CE2-CG 4.29Å; F392-L441 HydrophobicContact CZ-CD1 4.3Å; F392-L441 HydrophobicContact CZ-CD2 4.02Å; F392-L461 HydrophobicContact CB-CD2 4.04Å; F392-L461 HydrophobicContact CD1-CB 3.9Å; F392-L461 HydrophobicContact CD1-CD1 4.25Å; F392-L461 HydrophobicContact CD1-CD2 3.74Å; F392-L461 HydrophobicContact CD1-CG 4.18Å; F392-L461 HydrophobicContact CE1-CB 3.69Å; F392-L461 HydrophobicContact CE1-CD1 4.06Å; F392-L461 HydrophobicContact CE1-CD2 4.31Å; F392-L461 HydrophobicContact CE1-CG 4.24Å; F392-L461 HydrophobicContact CE2-CD1 4.37Å; F392-L461 HydrophobicContact CG-CD1 4.46Å; F392-L461 HydrophobicContact CG-CD2 3.93Å; F392-L461 HydrophobicContact CZ-CB 4.42Å; F392-L461 HydrophobicContact CZ-CD1 4.07Å; F392-S463 WeakPolarHBondContact CD1-O 3.21Å; F392-S463 PolarHBondContact N-O 3.33Å; F392-S463 VanDerWaalsContact N-O 3.07Å; F392-Y464 VanDerWaalsContact O-CA 3.31Å; F392-Y464 WeakPolarHBondContact O-CA 3.48Å; F392-V465 PolarHBondContact O-N 3.19Å; F392-F482 AromaticContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CE2 4.26Å; F392-F482 HydrophobicContact CE1-CG 4.4Å; F392-F482 HydrophobicContact CE2-CD2 4.48Å; F392-F482 HydrophobicContact CE2-CE2 4.18Å; F392-F482 AromaticContact CZ-CD2 3.43Å; F392-F482 HydrophobicContact CZ-CD2 3.43Å; F392-F482 VanDerWaalsContact CZ-CD2 3.43Å; F392-F482 AromaticContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CG 4.28Å; F392-F482 HydrophobicContact CZ-CZ 4.14Å |
| 393 | L | 95.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 156.7 | 165 | 63.2 | 92.1 | 0 | 0 | 0 | 110.4 | H369 I372 A377 L380 V381 R395 T407 V465 | H369-L393 HydrophobicContact CB-CD1 4.25Å; I372-L393 HydrophobicContact CG2-CD1 4.2Å; A377-L393 HydrophobicContact CB-CD1 3.99Å; A377-L393 HydrophobicContact CB-CD2 4.38Å; L380-L393 HydrophobicContact CB-CD2 4.03Å; L380-L393 HydrophobicContact CD1-CD2 4.07Å; V381-L393 HydrophobicContact CG1-CD2 3.99Å; V381-L393 HydrophobicContact CG1-CG 4.24Å; L393-R395 HydrophobicContact CD1-CB 4.03Å; L393-R395 HydrophobicContact CD1-CG 4.4Å; L393-T407 PolarHBondContact N-O 3.27Å; L393-T407 PolarHBondContact O-N 3.14Å; L393-T407 VanDerWaalsContact O-O 3.13Å; L393-V465 HydrophobicContact CB-CB 4.4Å; L393-V465 HydrophobicContact CD2-CB 4.25Å; L393-V465 HydrophobicContact CD2-CG2 4.27Å |
| 394 | V | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.4 | 169.6 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | W367 F368 H369 V405 L406 L419 L441 | W367-V394 HydrophobicContact CE3-CB 3.73Å; W367-V394 HydrophobicContact CE3-CG2 3.58Å; W367-V394 HydrophobicContact CZ3-CB 3.8Å; W367-V394 HydrophobicContact CZ3-CG1 4.31Å; W367-V394 HydrophobicContact CZ3-CG2 3.72Å; W367-V394 PolarHBondContact O-N 3.2Å; F368-V394 WeakPolarHBondContact CA-O 3.32Å; F368-V394 HydrophobicContact CD2-CB 4.35Å; F368-V394 HydrophobicContact CD2-CG1 4.21Å; H369-V394 PolarHBondContact N-O 2.86Å; V394-V405 WeakPolarHBondContact CA-O 3.46Å; V394-L406 HydrophobicContact CG2-CD1 4.07Å; V394-L419 HydrophobicContact CG1-CD1 3.93Å; V394-L441 HydrophobicContact CG2-CD1 4.48Å; V394-L441 HydrophobicContact CG2-CD2 4.29Å |
| 395 | R | 94.4 | Very high | 87.8 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 161.3 | -179.9 | 67.4 | -169.6 | -163.5 | 86.5 | 2.5 | 111.8 | G370 I372 A377 L393 E398 Y404 V405 T407 | G370-R395 WeakPolarHBondContact O-CA 3.43Å; I372-R395 HydrophobicContact CG2-CB 3.36Å; I372-R395 HydrophobicContact CG2-CG 4.27Å; I372-R395 PolarHBondContact O-NH1 3.27Å; A377-R395 VanDerWaalsContact CB-CD 3.47Å; L393-R395 HydrophobicContact CD1-CB 4.03Å; L393-R395 HydrophobicContact CD1-CG 4.4Å; R395-E398 IonicContact CZ-OE2 3.53Å; R395-E398 IonicContact NH1-OE2 2.92Å; R395-E398 PolarHBondContact NH1-OE2 2.71Å; R395-E398 IonicContact NH2-OE2 3.5Å; R395-E398 PolarHBondContact NH2-OE2 3.41Å; R395-Y404 CarbonylContact O-C 3.55Å; R395-Y404 VanDerWaalsContact O-CA 3.31Å; R395-Y404 WeakPolarHBondContact O-CA 3.22Å; R395-V405 HydrophobicContact CG-CB 3.96Å; R395-V405 PolarHBondContact N-O 3.31Å; R395-V405 PolarHBondContact O-N 2.69Å; R395-T407 PolarHBondContact NE-OG1 3.34Å |
| 396 | Q | 91.8 | Very high | 88.4 | Confident | 26 Ų | 26 | 45 Ų | 45 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 147.4 | 167.2 | -168.6 | 170.4 | 61.7 | 0 | 0 | 110.5 | C355 D359 G370 Y404 | C355-Q396 PolarHBondContact SG-NE2 3.46Å; D359-Q396 VanDerWaalsContact CG-NE2 3.31Å; D359-Q396 PolarHBondContact OD1-NE2 2.89Å; D359-Q396 VanDerWaalsContact OD1-NE2 3.11Å; D359-Q396 PolarHBondContact OD2-NE2 3.47Å; G370-Q396 PolarHBondContact O-N 3.29Å; Q396-Y404 HydrophobicContact CB-CD1 4.42Å; Q396-Y404 HydrophobicContact CB-CE1 4.36Å; Q396-Y404 HydrophobicContact CG-CE1 4.46Å |
| 397 | S | 89.1 | Confident | 89 | Confident | 18 Ų | 18 | 41 Ų | 41 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | trans | -80.7 | 125.5 | -179.7 | -178.2 | 0 | 0 | 0 | 0 | 112 | T399 R400 E403 | S397-T399 VanDerWaalsContact C-N 3.29Å; S397-T399 PolarHBondContact O-N 3.45Å; S397-R400 WeakPolarHBondContact CB-O 3.33Å; S397-R400 PolarHBondContact OG-N 3.17Å; S397-E403 VanDerWaalsContact CB-O 3.23Å; S397-E403 WeakPolarHBondContact CB-O 3.48Å; S397-E403 PolarHBondContact N-O 3.19Å | ||
| 398 | E | 84.1 | Confident | 89.5 | Confident | 105 Ų | 105 | 34.2 Ų | 34.2 | 49% | 0.491 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -66.2 | -30.6 | 177.8 | -61 | 134.3 | 114.9 | 0 | 0 | 113 | S373 R374 R395 | S373-E398 WeakPolarHBondContact CA-OE1 3.45Å; S373-E398 WeakPolarHBondContact CB-OE1 3.33Å; R374-E398 WeakPolarHBondContact CB-OE2 3.25Å; R374-E398 PolarHBondContact N-OE1 3.03Å; R374-E398 PolarHBondContact N-OE2 2.71Å; R395-E398 IonicContact CZ-OE2 3.53Å; R395-E398 IonicContact NH1-OE2 2.92Å; R395-E398 PolarHBondContact NH1-OE2 2.71Å; R395-E398 IonicContact NH2-OE2 3.5Å; R395-E398 PolarHBondContact NH2-OE2 3.41Å |
| 399 | T | 77.3 | Confident | 89.9 | Confident | 124 Ų | 124 | 34.1 Ų | 34.1 | 76% | 0.761 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -103.7 | -7.5 | -169.4 | 57.6 | 0 | 0 | 0 | 0 | 113.7 | S397 | S397-T399 VanDerWaalsContact C-N 3.29Å; S397-T399 PolarHBondContact O-N 3.45Å |
| 400 | R | 78.6 | Confident | 89.9 | Confident | 124 Ų | 124 | 31.8 Ų | 31.8 | 47% | 0.468 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -143.2 | 103.4 | -176.4 | -62.3 | 180 | 177.9 | -99.9 | -1.4 | 109.8 | S397 E403 | S397-R400 WeakPolarHBondContact CB-O 3.33Å; S397-R400 PolarHBondContact OG-N 3.17Å; R400-E403 HydrophobicContact CB-CB 4.05Å; R400-E403 HydrophobicContact CB-CG 4.06Å; R400-E403 WeakPolarHBondContact CB-OE2 3.29Å; R400-E403 WeakPolarHBondContact CD-OE2 3.44Å; R400-E403 PolarHBondContact O-N 3.15Å |
| 401 | R | 76.8 | Confident | 90 | Very high | 176 Ų | 176 | 37.3 Ų | 37.3 | 66% | 0.664 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 140.9 | 174.5 | -69.3 | 178.6 | 173 | 172.8 | -2.5 | 109.8 | P272 D273 E403 | P272-R401 PolarHBondContact O-NH2 3.32Å; D273-R401 IonicContact OD1-CZ 3.49Å; D273-R401 IonicContact OD1-NH1 2.67Å; D273-R401 PolarHBondContact OD1-NH1 3.4Å; D273-R401 IonicContact OD1-NH2 3.72Å; D273-R401 PolarHBondContact OD1-NH2 2.83Å; D273-R401 VanDerWaalsContact OD1-NH2 3.13Å; R401-E403 VanDerWaalsContact C-N 3.27Å; R401-E403 PolarHBondContact O-N 3.14Å |
| 402 | G | 77.6 | Confident | 89.5 | Confident | 30 Ų | 30 | 38 Ų | 38 | 31% | 0.309 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 3.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 403 | E | 89.4 | Confident | 89.2 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 156.7 | 179.6 | -64.3 | -175.2 | -167.8 | 0 | 0 | 112.9 | S397 R400 R401 R418 | S397-E403 VanDerWaalsContact CB-O 3.23Å; S397-E403 WeakPolarHBondContact CB-O 3.48Å; S397-E403 PolarHBondContact N-O 3.19Å; R400-E403 HydrophobicContact CB-CB 4.05Å; R400-E403 HydrophobicContact CB-CG 4.06Å; R400-E403 WeakPolarHBondContact CB-OE2 3.29Å; R400-E403 WeakPolarHBondContact CD-OE2 3.44Å; R400-E403 PolarHBondContact O-N 3.15Å; R401-E403 VanDerWaalsContact C-N 3.27Å; R401-E403 PolarHBondContact O-N 3.14Å; E403-R418 VanDerWaalsContact CD-NH2 3.29Å; E403-R418 IonicContact OE1-CZ 3.49Å; E403-R418 IonicContact OE1-NE 3.39Å; E403-R418 IonicContact OE1-NH2 2.73Å; E403-R418 PolarHBondContact OE1-NH2 3.48Å; E403-R418 IonicContact OE2-CZ 3.59Å; E403-R418 VanDerWaalsContact OE2-CZ 3.31Å; E403-R418 IonicContact OE2-NE 2.71Å; E403-R418 PolarHBondContact OE2-NE 3.1Å; E403-R418 IonicContact OE2-NH2 3.13Å; E403-R418 PolarHBondContact OE2-NH2 3.48Å; E403-R418 VanDerWaalsContact OE2-NH2 3.12Å |
| 404 | Y | 94.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 162.1 | -174.9 | -61.5 | -89.3 | 0 | 0 | 0 | 111 | T358 D359 L362 F368 R395 Q396 L419 L421 | T358-Y404 PolarHBondContact OG1-OH 2.98Å; D359-Y404 WeakPolarHBondContact OD1-CE1 3.38Å; D359-Y404 VanDerWaalsContact OD1-CZ 3.29Å; D359-Y404 PolarHBondContact OD1-OH 2.91Å; L362-Y404 HydrophobicContact CD1-CD1 4.03Å; L362-Y404 HydrophobicContact CD1-CE1 3.65Å; L362-Y404 HydrophobicContact CD1-CE2 4.43Å; F368-Y404 AromaticContact CE2-CD1 3.83Å; F368-Y404 HydrophobicContact CE2-CD1 3.83Å; F368-Y404 AromaticContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CE2-CE1 3.76Å; F368-Y404 HydrophobicContact CZ-CD1 4.48Å; F368-Y404 AromaticContact CZ-CE1 3.97Å; F368-Y404 HydrophobicContact CZ-CE1 3.97Å; R395-Y404 CarbonylContact O-C 3.55Å; R395-Y404 VanDerWaalsContact O-CA 3.31Å; R395-Y404 WeakPolarHBondContact O-CA 3.22Å; Q396-Y404 HydrophobicContact CB-CD1 4.42Å; Q396-Y404 HydrophobicContact CB-CE1 4.36Å; Q396-Y404 HydrophobicContact CG-CE1 4.46Å; Y404-L419 PolarHBondContact N-O 3.44Å; Y404-L419 PolarHBondContact O-N 2.75Å; Y404-L421 HydrophobicContact CD2-CB 4.48Å; Y404-L421 HydrophobicContact CD2-CD1 3.6Å; Y404-L421 HydrophobicContact CD2-CG 3.85Å; Y404-L421 HydrophobicContact CE2-CB 4.48Å; Y404-L421 HydrophobicContact CE2-CD1 3.53Å; Y404-L421 HydrophobicContact CE2-CG 4.12Å; Y404-L421 HydrophobicContact CG-CD1 4.44Å |
| 405 | V | 95.2 | Very high | 89 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 118.3 | -177.4 | -176.2 | 0 | 0 | 0 | 0 | 109 | V394 R395 T407 H416 L417 | V394-V405 WeakPolarHBondContact CA-O 3.46Å; R395-V405 HydrophobicContact CG-CB 3.96Å; R395-V405 PolarHBondContact N-O 3.31Å; R395-V405 PolarHBondContact O-N 2.69Å; V405-T407 PolarHBondContact O-N 3.38Å; V405-H416 HydrophobicContact CG1-CB 3.73Å; V405-L417 WeakPolarHBondContact CA-O 3.07Å |
| 406 | L | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 112.1 | 161.3 | 172.3 | 62.7 | 0 | 0 | 0 | 107.2 | F392 V394 F408 H416 L417 L419 M440 L441 I449 L461 | F392-L406 HydrophobicContact CB-CD1 3.87Å; F392-L406 HydrophobicContact CD2-CD1 3.37Å; F392-L406 HydrophobicContact CE2-CD1 4.14Å; F392-L406 HydrophobicContact CG-CD1 3.9Å; V394-L406 HydrophobicContact CG2-CD1 4.07Å; L406-F408 HydrophobicContact CD2-CD1 4.49Å; L406-F408 HydrophobicContact CG-CD1 4.18Å; L406-H416 WeakPolarHBondContact O-CA 3.23Å; L406-L417 HydrophobicContact CB-CB 4.29Å; L406-L417 HydrophobicContact CD2-CD2 4.22Å; L406-L417 PolarHBondContact N-O 3.14Å; L406-L417 PolarHBondContact O-N 2.77Å; L406-L419 HydrophobicContact CB-CD1 4.15Å; L406-L419 HydrophobicContact CB-CD2 4.06Å; L406-L419 HydrophobicContact CB-CG 4.32Å; L406-M440 HydrophobicContact CD2-SD 4.21Å; L406-L441 HydrophobicContact CD1-CD2 3.93Å; L406-L441 HydrophobicContact CD2-CD2 4.32Å; L406-I449 HydrophobicContact CD2-CD1 4.47Å; L406-L461 HydrophobicContact CD1-CD1 4.5Å; L406-L461 HydrophobicContact CD2-CD1 4.09Å; L406-L461 HydrophobicContact CD2-CD2 4.42Å |
| 407 | T | 96 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.4 | 173.1 | -61.4 | 0 | 0 | 0 | 0 | 108.1 | A377 V381 F392 L393 R395 V405 K415 H416 | A377-T407 HydrophobicContact CB-CG2 4.01Å; V381-T407 HydrophobicContact CG1-CG2 4.47Å; V381-T407 HydrophobicContact CG2-CG2 4.1Å; F392-T407 CarbonylContact C-O 3.59Å; F392-T407 VanDerWaalsContact CA-O 3.25Å; F392-T407 WeakPolarHBondContact CA-O 3Å; F392-T407 WeakPolarHBondContact CB-O 3.24Å; L393-T407 PolarHBondContact N-O 3.27Å; L393-T407 PolarHBondContact O-N 3.14Å; L393-T407 VanDerWaalsContact O-O 3.13Å; R395-T407 PolarHBondContact NE-OG1 3.34Å; V405-T407 PolarHBondContact O-N 3.38Å; T407-K415 WeakPolarHBondContact CA-O 3.21Å; T407-H416 WeakPolarHBondContact CG2-ND1 3.32Å; T407-H416 PolarHBondContact OG1-ND1 2.78Å |
| 408 | F | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157.9 | -174.8 | 69 | -86.9 | 0 | 0 | 0 | 111.3 | V391 F392 L406 F410 K415 L417 I449 L451 V459 L461 | V391-F408 CarbonylContact O-C 3.46Å; V391-F408 WeakPolarHBondContact O-CA 3.34Å; F392-F408 HydrophobicContact CB-CB 3.6Å; L406-F408 HydrophobicContact CD2-CD1 4.49Å; L406-F408 HydrophobicContact CG-CD1 4.18Å; F408-F410 HydrophobicContact CE2-CB 4.28Å; F408-K415 HydrophobicContact CD1-CB 4.32Å; F408-K415 HydrophobicContact CD2-CB 4.34Å; F408-K415 HydrophobicContact CE1-CB 3.76Å; F408-K415 HydrophobicContact CE2-CB 3.76Å; F408-K415 HydrophobicContact CE2-CG 4.11Å; F408-K415 HydrophobicContact CZ-CB 3.46Å; F408-K415 VanDerWaalsContact CZ-CB 3.46Å; F408-K415 HydrophobicContact CZ-CG 4.13Å; F408-K415 PolarHBondContact N-O 3.33Å; F408-K415 PolarHBondContact O-N 3.46Å; F408-L417 HydrophobicContact CE1-CB 4.13Å; F408-I449 HydrophobicContact CD1-CD1 4.09Å; F408-I449 HydrophobicContact CD2-CD1 4.22Å; F408-I449 HydrophobicContact CE1-CD1 3.84Å; F408-I449 HydrophobicContact CE2-CD1 4Å; F408-I449 HydrophobicContact CG-CD1 4.26Å; F408-I449 HydrophobicContact CZ-CD1 3.78Å; F408-I449 HydrophobicContact CZ-CG2 4.39Å; F408-L451 HydrophobicContact CE2-CD1 4.47Å; F408-L451 HydrophobicContact CZ-CD1 4.26Å; F408-L451 HydrophobicContact CZ-CD2 4.22Å; F408-V459 HydrophobicContact CD2-CG2 3.92Å; F408-V459 HydrophobicContact CE2-CG1 3.93Å; F408-V459 HydrophobicContact CE2-CG2 3.86Å; F408-L461 HydrophobicContact CB-CD2 4.23Å |
| 409 | N | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.3 | 179.1 | 174.6 | -20.4 | 0 | 0 | 0 | 111 | V381 G385 A388 G390 V391 Q411 G412 | V381-N409 HydrophobicContact CB-CB 4.09Å; V381-N409 HydrophobicContact CG2-CB 4.14Å; V381-N409 WeakPolarHBondContact O-CB 3.47Å; V381-N409 PolarHBondContact O-ND2 3.4Å; G385-N409 PolarHBondContact O-ND2 3.44Å; A388-N409 VanDerWaalsContact CB-ND2 3.28Å; A388-N409 WeakPolarHBondContact CB-ND2 3.47Å; A388-N409 VanDerWaalsContact O-CB 3.24Å; A388-N409 WeakPolarHBondContact O-CB 3.3Å; A388-N409 VanDerWaalsContact O-CG 3.24Å; A388-N409 PolarHBondContact O-ND2 3.18Å; G390-N409 PolarHBondContact N-O 3.26Å; V391-N409 PolarHBondContact O-N 2.99Å; N409-Q411 PolarHBondContact OD1-N 3.46Å; N409-G412 WeakPolarHBondContact OD1-CA 3.07Å; N409-G412 PolarHBondContact OD1-N 3.43Å |
| 410 | F | 91.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 102 | 170.2 | -176.2 | -91 | 0 | 0 | 0 | 109.1 | F408 G412 I413 K415 L451 C457 V459 | F408-F410 HydrophobicContact CE2-CB 4.28Å; F410-G412 VanDerWaalsContact C-N 3.25Å; F410-G412 PolarHBondContact O-N 2.73Å; F410-I413 PolarHBondContact N-O 2.97Å; F410-I413 WeakPolarHBondContact O-CB 3.34Å; F410-I413 PolarHBondContact O-N 3.5Å; F410-K415 HydrophobicContact CB-CG 3.59Å; F410-K415 HydrophobicContact CG-CG 4.4Å; F410-L451 HydrophobicContact CD2-CD1 3.95Å; F410-L451 HydrophobicContact CE2-CD1 4.18Å; F410-C457 HydrophobicContact CE2-CB 3.96Å; F410-C457 HydrophobicContact CZ-CB 3.78Å; F410-V459 HydrophobicContact CD2-CB 3.66Å; F410-V459 HydrophobicContact CD2-CG1 3.62Å; F410-V459 HydrophobicContact CD2-CG2 4.29Å; F410-V459 HydrophobicContact CE2-CB 3.98Å; F410-V459 HydrophobicContact CE2-CG1 3.93Å |
| 411 | Q | 88.4 | Confident | 90.6 | Very high | 117 Ų | 117 | 40 Ų | 40 | 55% | 0.547 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.6 | 174.9 | -55.3 | 177.4 | -13.1 | 0 | 0 | 113.5 | H389 N409 | H389-Q411 WeakPolarHBondContact ND1-CG 3.44Å; H389-Q411 PolarHBondContact ND1-N 2.92Å; N409-Q411 PolarHBondContact OD1-N 3.46Å |
| 412 | G | 84.6 | Confident | 91 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 19% | 0.186 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -6.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q382 G385 N409 F410 | Q382-G412 PolarHBondContact NE2-O 2.94Å; G385-G412 WeakPolarHBondContact O-CA 3.27Å; N409-G412 WeakPolarHBondContact OD1-CA 3.07Å; N409-G412 PolarHBondContact OD1-N 3.43Å; F410-G412 VanDerWaalsContact C-N 3.25Å; F410-G412 PolarHBondContact O-N 2.73Å |
| 413 | I | 89.2 | Confident | 90.8 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.7 | 179.9 | -59.7 | 169.9 | 0 | 0 | 0 | 109.8 | F410 K415 | F410-I413 PolarHBondContact N-O 2.97Å; F410-I413 WeakPolarHBondContact O-CB 3.34Å; F410-I413 PolarHBondContact O-N 3.5Å; I413-K415 HydrophobicContact CG2-CD 4.39Å; I413-K415 PolarHBondContact O-N 3.21Å |
| 414 | A | 92.7 | Very high | 89.9 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 124.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A378 V381 Q382 | A378-A414 HydrophobicContact CB-CB 3.51Å; V381-A414 HydrophobicContact CG2-CB 4.04Å; Q382-A414 HydrophobicContact CG-CB 3.97Å |
| 415 | K | 93.1 | Very high | 89 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 155.2 | 169.8 | -58.3 | -63.7 | -176.1 | 177.6 | 0 | 109.1 | T407 F408 F410 I413 | T407-K415 WeakPolarHBondContact CA-O 3.21Å; F408-K415 HydrophobicContact CD1-CB 4.32Å; F408-K415 HydrophobicContact CD2-CB 4.34Å; F408-K415 HydrophobicContact CE1-CB 3.76Å; F408-K415 HydrophobicContact CE2-CB 3.76Å; F408-K415 HydrophobicContact CE2-CG 4.11Å; F408-K415 HydrophobicContact CZ-CB 3.46Å; F408-K415 VanDerWaalsContact CZ-CB 3.46Å; F408-K415 HydrophobicContact CZ-CG 4.13Å; F408-K415 PolarHBondContact N-O 3.33Å; F408-K415 PolarHBondContact O-N 3.46Å; F410-K415 HydrophobicContact CB-CG 3.59Å; F410-K415 HydrophobicContact CG-CG 4.4Å; I413-K415 HydrophobicContact CG2-CD 4.39Å; I413-K415 PolarHBondContact O-N 3.21Å |
| 416 | H | 92.5 | Very high | 88.6 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 116.7 | -178.1 | -52.1 | -72.3 | 0 | 0 | 0 | 109.6 | R374 V405 L406 T407 | R374-H416 WeakPolarHBondContact CG-NE2 3.48Å; R374-H416 PolarHBondContact NE-CD2 3.43Å; R374-H416 PolarHBondContact NE-NE2 2.92Å; R374-H416 PolarHBondContact NH2-CD2 3Å; V405-H416 HydrophobicContact CG1-CB 3.73Å; L406-H416 WeakPolarHBondContact O-CA 3.23Å; T407-H416 WeakPolarHBondContact CG2-ND1 3.32Å; T407-H416 PolarHBondContact OG1-ND1 2.78Å |
| 417 | L | 92.2 | Very high | 88.4 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.1 | 177.1 | -174.9 | 61.6 | 0 | 0 | 0 | 109.1 | V405 L406 F408 V429 Q430 F444 I449 | V405-L417 WeakPolarHBondContact CA-O 3.07Å; L406-L417 HydrophobicContact CB-CB 4.29Å; L406-L417 HydrophobicContact CD2-CD2 4.22Å; L406-L417 PolarHBondContact N-O 3.14Å; L406-L417 PolarHBondContact O-N 2.77Å; F408-L417 HydrophobicContact CE1-CB 4.13Å; L417-V429 HydrophobicContact CD1-CG1 3.75Å; L417-V429 HydrophobicContact CD2-CG1 3.5Å; L417-V429 HydrophobicContact CG-CG1 3.57Å; L417-Q430 HydrophobicContact CD1-CG 4.26Å; L417-F444 HydrophobicContact CD2-CE2 4Å; L417-F444 HydrophobicContact CD2-CZ 4.39Å; L417-I449 HydrophobicContact CD2-CG2 3.74Å |
| 418 | R | 92.8 | Very high | 88.1 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.1 | -176.9 | -178.3 | 178 | 172.7 | -138.7 | -7.7 | 110.1 | E403 | E403-R418 VanDerWaalsContact CD-NH2 3.29Å; E403-R418 IonicContact OE1-CZ 3.49Å; E403-R418 IonicContact OE1-NE 3.39Å; E403-R418 IonicContact OE1-NH2 2.73Å; E403-R418 PolarHBondContact OE1-NH2 3.48Å; E403-R418 IonicContact OE2-CZ 3.59Å; E403-R418 VanDerWaalsContact OE2-CZ 3.31Å; E403-R418 IonicContact OE2-NE 2.71Å; E403-R418 PolarHBondContact OE2-NE 3.1Å; E403-R418 IonicContact OE2-NH2 3.13Å; E403-R418 PolarHBondContact OE2-NH2 3.48Å; E403-R418 VanDerWaalsContact OE2-NH2 3.12Å |
| 419 | L | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130 | 179.4 | -41.1 | 176.1 | 0 | 0 | 0 | 108.7 | V394 Y404 L406 V429 M440 | V394-L419 HydrophobicContact CG1-CD1 3.93Å; Y404-L419 PolarHBondContact N-O 3.44Å; Y404-L419 PolarHBondContact O-N 2.75Å; L406-L419 HydrophobicContact CB-CD1 4.15Å; L406-L419 HydrophobicContact CB-CD2 4.06Å; L406-L419 HydrophobicContact CB-CG 4.32Å; L419-V429 HydrophobicContact CD2-CG1 4.41Å; L419-V429 HydrophobicContact CD2-CG2 3.52Å; L419-M440 HydrophobicContact CD1-CE 3.75Å; L419-M440 HydrophobicContact CD2-CE 3.8Å; L419-M440 HydrophobicContact CD2-SD 4.16Å; L419-M440 HydrophobicContact CG-CE 4.44Å |
| 420 | S | 90.7 | Very high | 87.5 | Confident | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.3 | 169.2 | -64.7 | 0 | 0 | 0 | 0 | 109.1 | R428 | S420-R428 PolarHBondContact N-O 3.35Å; S420-R428 PolarHBondContact O-N 3.46Å |
| 421 | L | 88.5 | Confident | 87 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 145.6 | 172.4 | -64.5 | -177.1 | 0 | 0 | 0 | 110.7 | T358 L362 Y404 Q426 C427 V437 | T358-L421 HydrophobicContact CG2-CD1 4.36Å; L362-L421 HydrophobicContact CD1-CD1 4.03Å; Y404-L421 HydrophobicContact CD2-CB 4.48Å; Y404-L421 HydrophobicContact CD2-CD1 3.6Å; Y404-L421 HydrophobicContact CD2-CG 3.85Å; Y404-L421 HydrophobicContact CE2-CB 4.48Å; Y404-L421 HydrophobicContact CE2-CD1 3.53Å; Y404-L421 HydrophobicContact CE2-CG 4.12Å; Y404-L421 HydrophobicContact CG-CD1 4.44Å; L421-Q426 WeakPolarHBondContact CA-O 3.48Å; L421-C427 HydrophobicContact CD2-CB 3.77Å; L421-V437 HydrophobicContact CD1-CG2 4.13Å; L421-V437 HydrophobicContact CD2-CG2 3.58Å; L421-V437 HydrophobicContact CG-CG2 4.43Å |
| 422 | T | 83.6 | Confident | 87 | Confident | 46 Ų | 46 | 69 Ų | 69 | 28% | 0.282 | 33% | 0.329 | S | S | . | . | trans | -92.2 | 163.3 | 165.8 | 69.9 | 0 | 0 | 0 | 0 | 110.2 | R424 G425 Q426 | T422-R424 PolarHBondContact O-N 2.9Å; T422-R424 PolarHBondContact OG1-N 3.11Å; T422-G425 PolarHBondContact O-N 2.91Å; T422-Q426 HydrophobicContact CG2-CB 4.32Å; T422-Q426 PolarHBondContact N-O 2.84Å; T422-Q426 WeakPolarHBondContact OG1-CB 3.33Å; T422-Q426 PolarHBondContact OG1-N 3.48Å | ||
| 423 | E | 74.9 | Confident | 87.3 | Confident | 183 Ų | 183 | 73.6 Ų | 73.6 | 86% | 0.855 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -19.4 | 171.2 | -62.4 | 170.2 | -178.9 | 0 | 0 | 113.5 | ||
| 424 | R | 70.8 | Confident | 87.4 | Confident | 221 Ų | 221 | 70.3 Ų | 70.3 | 83% | 0.834 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.4 | 177.3 | -57 | -174.6 | -178.2 | -162.7 | -0.5 | 113.5 | T422 Q426 | T422-R424 PolarHBondContact O-N 2.9Å; T422-R424 PolarHBondContact OG1-N 3.11Å; R424-Q426 VanDerWaalsContact C-N 3.25Å; R424-Q426 HydrophobicContact CB-CG 4.43Å; R424-Q426 PolarHBondContact O-N 3.33Å |
| 425 | G | 75 | Confident | 87.1 | Confident | 29 Ų | 29 | 73.9 Ų | 73.9 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | trans | 79.5 | -6.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T422 C427 | T422-G425 PolarHBondContact O-N 2.91Å; G425-C427 PolarHBondContact O-N 3.42Å | ||
| 426 | Q | 85.4 | Confident | 87 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | trans | -65 | 133.6 | -177.8 | -58.4 | 178.1 | -43.6 | 0 | 0 | 111.4 | L421 T422 R424 P435 | L421-Q426 WeakPolarHBondContact CA-O 3.48Å; T422-Q426 HydrophobicContact CG2-CB 4.32Å; T422-Q426 PolarHBondContact N-O 2.84Å; T422-Q426 WeakPolarHBondContact OG1-CB 3.33Å; T422-Q426 PolarHBondContact OG1-N 3.48Å; R424-Q426 VanDerWaalsContact C-N 3.25Å; R424-Q426 HydrophobicContact CB-CG 4.43Å; R424-Q426 PolarHBondContact O-N 3.33Å; Q426-P435 WeakPolarHBondContact CA-O 3.18Å | ||
| 427 | C | 91.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.7 | -175.4 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | L421 G425 F434 S436 V437 M440 | L421-C427 HydrophobicContact CD2-CB 3.77Å; G425-C427 PolarHBondContact O-N 3.42Å; C427-F434 HydrophobicContact CB-CB 4.37Å; C427-F434 PolarHBondContact N-O 3.39Å; C427-F434 PolarHBondContact O-N 3.22Å; C427-S436 WeakPolarHBondContact CB-O 3.26Å; C427-V437 HydrophobicContact CB-CG2 4.38Å; C427-M440 HydrophobicContact CB-CB 4.46Å |
| 428 | R | 90.7 | Very high | 86.8 | Confident | 124 Ų | 124 | 69 Ų | 69 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.6 | 179.3 | -57.9 | -177.5 | 69.2 | -160.8 | 1.5 | 109.9 | S420 H433 | S420-R428 PolarHBondContact N-O 3.35Å; S420-R428 PolarHBondContact O-N 3.46Å; R428-H433 PolarHBondContact NE-CD2 2.85Å; R428-H433 VanDerWaalsContact NE-CD2 3.26Å; R428-H433 PolarHBondContact NE-NE2 3.07Å; R428-H433 PolarHBondContact NH2-NE2 3.45Å |
| 429 | V | 90.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 105.1 | -172.8 | -176.3 | 0 | 0 | 0 | 0 | 109 | L417 L419 H431 L432 F434 M440 F444 | L417-V429 HydrophobicContact CD1-CG1 3.75Å; L417-V429 HydrophobicContact CD2-CG1 3.5Å; L417-V429 HydrophobicContact CG-CG1 3.57Å; L419-V429 HydrophobicContact CD2-CG1 4.41Å; L419-V429 HydrophobicContact CD2-CG2 3.52Å; V429-H431 PolarHBondContact O-N 3.47Å; V429-L432 PolarHBondContact N-O 3.19Å; V429-L432 WeakPolarHBondContact O-CB 3.23Å; V429-L432 PolarHBondContact O-N 2.94Å; V429-F434 HydrophobicContact CB-CE2 4.33Å; V429-F434 HydrophobicContact CG2-CD2 4.39Å; V429-F434 HydrophobicContact CG2-CE2 4.3Å; V429-M440 HydrophobicContact CG2-CG 3.7Å; V429-M440 HydrophobicContact CG2-SD 4.31Å; V429-F444 HydrophobicContact CG1-CE2 4.27Å; V429-F444 HydrophobicContact CG1-CZ 4.34Å |
| 430 | Q | 85.8 | Confident | 86.7 | Confident | 113 Ų | 113 | 66 Ų | 66 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -108.1 | -168.8 | -52.1 | 174.7 | 18 | 0 | 0 | 111.4 | L417 P450 | L417-Q430 HydrophobicContact CD1-CG 4.26Å; Q430-P450 PolarHBondContact NE2-O 2.68Å |
| 431 | H | 81.6 | Confident | 86.9 | Confident | 122 Ų | 122 | 64 Ų | 64 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -8.8 | 177.4 | 63.2 | -88.1 | 0 | 0 | 0 | 113.3 | V429 H433 | V429-H431 PolarHBondContact O-N 3.47Å; H431-H433 PolarHBondContact O-CE1 2.89Å; H431-H433 PolarHBondContact O-ND1 3.02Å |
| 432 | L | 87.9 | Confident | 86.9 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 146.2 | -179.2 | -58.4 | 174.9 | 0 | 0 | 0 | 111.3 | V429 F434 F444 P450 | V429-L432 PolarHBondContact N-O 3.19Å; V429-L432 WeakPolarHBondContact O-CB 3.23Å; V429-L432 PolarHBondContact O-N 2.94Å; L432-F434 HydrophobicContact CB-CE2 3.63Å; L432-F434 HydrophobicContact CB-CZ 3.85Å; L432-F434 HydrophobicContact CD1-CE2 4.49Å; L432-F434 HydrophobicContact CD1-CZ 4.16Å; L432-F444 HydrophobicContact CD1-CE1 4.03Å; L432-F444 HydrophobicContact CD1-CZ 3.91Å; L432-P450 HydrophobicContact CD1-CG 4.14Å |
| 433 | H | 91.1 | Very high | 87.2 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.4 | -175.3 | -61.6 | 69.5 | 0 | 0 | 0 | 109.1 | R428 H431 | R428-H433 PolarHBondContact NE-CD2 2.85Å; R428-H433 VanDerWaalsContact NE-CD2 3.26Å; R428-H433 PolarHBondContact NE-NE2 3.07Å; R428-H433 PolarHBondContact NH2-NE2 3.45Å; H431-H433 PolarHBondContact O-CE1 2.89Å; H431-H433 PolarHBondContact O-ND1 3.02Å |
| 434 | F | 91.1 | Very high | 88.1 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.5 | -174.6 | -57.7 | -81.2 | 0 | 0 | 0 | 110.7 | C427 V429 L432 S436 D439 M440 H443 F444 | C427-F434 HydrophobicContact CB-CB 4.37Å; C427-F434 PolarHBondContact N-O 3.39Å; C427-F434 PolarHBondContact O-N 3.22Å; V429-F434 HydrophobicContact CB-CE2 4.33Å; V429-F434 HydrophobicContact CG2-CD2 4.39Å; V429-F434 HydrophobicContact CG2-CE2 4.3Å; L432-F434 HydrophobicContact CB-CE2 3.63Å; L432-F434 HydrophobicContact CB-CZ 3.85Å; L432-F434 HydrophobicContact CD1-CE2 4.49Å; L432-F434 HydrophobicContact CD1-CZ 4.16Å; F434-S436 VanDerWaalsContact C-N 3.25Å; F434-S436 PolarHBondContact O-N 3.23Å; F434-D439 HydrophobicContact CB-CB 4.31Å; F434-M440 HydrophobicContact CB-CB 3.94Å; F434-M440 HydrophobicContact CD1-CB 4.26Å; F434-M440 HydrophobicContact CD2-CB 3.53Å; F434-M440 HydrophobicContact CD2-CG 3.54Å; F434-M440 HydrophobicContact CE2-CB 4.05Å; F434-M440 HydrophobicContact CE2-CG 3.65Å; F434-M440 HydrophobicContact CG-CB 3.65Å; F434-M440 HydrophobicContact CG-CG 4.18Å; F434-M440 HydrophobicContact CZ-CG 4.39Å; F434-H443 HydrophobicContact CD1-CB 4.38Å; F434-H443 HydrophobicContact CE1-CB 3.67Å; F434-H443 AromaticContact CE1-CD2 3.59Å; F434-H443 AromaticContact CE1-CG 3.59Å; F434-H443 HydrophobicContact CZ-CB 4.33Å; F434-H443 AromaticContact CZ-CD2 3.55Å; F434-F444 HydrophobicContact CE2-CE2 4.4Å; F434-F444 HydrophobicContact CE2-CZ 4.35Å; F434-F444 HydrophobicContact CZ-CE2 4.48Å; F434-F444 HydrophobicContact CZ-CZ 4.22Å |
| 435 | P | 87.2 | Confident | 89 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 59% | 0.591 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -61.5 | -31.6 | 179.1 | -20.6 | 31.7 | 0 | 0 | 0 | 113.5 | Q426 D439 | Q426-P435 WeakPolarHBondContact CA-O 3.18Å; P435-D439 WeakPolarHBondContact CB-OD2 3.3Å |
| 436 | S | 89.1 | Confident | 89.5 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -148.7 | 177.1 | 176 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | C427 F434 V438 D439 M440 | C427-S436 WeakPolarHBondContact CB-O 3.26Å; F434-S436 VanDerWaalsContact C-N 3.25Å; F434-S436 PolarHBondContact O-N 3.23Å; S436-V438 VanDerWaalsContact C-N 3.28Å; S436-V438 WeakPolarHBondContact OG-CB 3.4Å; S436-V438 PolarHBondContact OG-N 3.04Å; S436-V438 VanDerWaalsContact OG-N 3.12Å; S436-D439 VanDerWaalsContact CB-OD2 3.31Å; S436-D439 WeakPolarHBondContact CB-OD2 3.17Å; S436-D439 PolarHBondContact N-OD2 3.06Å; S436-D439 PolarHBondContact OG-N 2.93Å; S436-D439 PolarHBondContact OG-OD2 2.87Å; S436-M440 PolarHBondContact O-N 2.82Å |
| 437 | V | 90.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 167 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | L362 W367 L421 C427 D439 M440 L441 | L362-V437 HydrophobicContact CD2-CB 4.3Å; L362-V437 HydrophobicContact CD2-CG2 4.06Å; W367-V437 HydrophobicContact CH2-CB 4.07Å; W367-V437 HydrophobicContact CH2-CG1 3.46Å; W367-V437 VanDerWaalsContact CH2-CG1 3.46Å; W367-V437 HydrophobicContact CZ2-CG1 4.36Å; W367-V437 HydrophobicContact CZ3-CG1 3.74Å; L421-V437 HydrophobicContact CD1-CG2 4.13Å; L421-V437 HydrophobicContact CD2-CG2 3.58Å; L421-V437 HydrophobicContact CG-CG2 4.43Å; C427-V437 HydrophobicContact CB-CG2 4.38Å; V437-D439 PolarHBondContact O-N 2.87Å; V437-M440 HydrophobicContact CG1-CE 3.81Å; V437-M440 WeakPolarHBondContact O-CB 3.36Å; V437-M440 PolarHBondContact O-N 3.43Å; V437-L441 HydrophobicContact CG1-CD1 4.2Å; V437-L441 HydrophobicContact CG1-CG 4.31Å; V437-L441 WeakPolarHBondContact O-CG 3.36Å; V437-L441 PolarHBondContact O-N 2.97Å |
| 438 | V | 90.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 56 Ų | 56 | 11% | 0.109 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | -179.7 | 153 | 0 | 0 | 0 | 0 | 111.1 | Y365 W367 S436 M440 L441 H442 L484 | Y365-V438 HydrophobicContact CD1-CG2 4.42Å; Y365-V438 HydrophobicContact CE1-CG2 3.78Å; W367-V438 HydrophobicContact CZ2-CG2 4.03Å; S436-V438 VanDerWaalsContact C-N 3.28Å; S436-V438 WeakPolarHBondContact OG-CB 3.4Å; S436-V438 PolarHBondContact OG-N 3.04Å; S436-V438 VanDerWaalsContact OG-N 3.12Å; V438-M440 VanDerWaalsContact C-N 3.35Å; V438-M440 PolarHBondContact O-N 3.37Å; V438-L441 PolarHBondContact O-N 3.27Å; V438-H442 VanDerWaalsContact O-CB 3.27Å; V438-H442 WeakPolarHBondContact O-CB 3.36Å; V438-H442 PolarHBondContact O-N 2.85Å; V438-L484 HydrophobicContact CB-CD1 4.07Å; V438-L484 HydrophobicContact CG1-CD1 3.75Å; V438-L484 HydrophobicContact CG2-CD1 3.77Å; V438-L484 HydrophobicContact CG2-CD2 4.36Å |
| 439 | D | 90.7 | Very high | 89.3 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 178 | -54.3 | -65.5 | 0 | 0 | 0 | 112.3 | F434 P435 S436 V437 H442 H443 | F434-D439 HydrophobicContact CB-CB 4.31Å; P435-D439 WeakPolarHBondContact CB-OD2 3.3Å; S436-D439 VanDerWaalsContact CB-OD2 3.31Å; S436-D439 WeakPolarHBondContact CB-OD2 3.17Å; S436-D439 PolarHBondContact N-OD2 3.06Å; S436-D439 PolarHBondContact OG-N 2.93Å; S436-D439 PolarHBondContact OG-OD2 2.87Å; V437-D439 PolarHBondContact O-N 2.87Å; D439-H442 PolarHBondContact O-N 3.3Å; D439-H443 WeakPolarHBondContact O-CB 3.5Å; D439-H443 PolarHBondContact O-N 3.49Å |
| 440 | M | 94.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 177 | 179 | -82.6 | -58.4 | 0 | 0 | 111.5 | L406 L419 C427 V429 F434 S436 V437 V438 F444 | L406-M440 HydrophobicContact CD2-SD 4.21Å; L419-M440 HydrophobicContact CD1-CE 3.75Å; L419-M440 HydrophobicContact CD2-CE 3.8Å; L419-M440 HydrophobicContact CD2-SD 4.16Å; L419-M440 HydrophobicContact CG-CE 4.44Å; C427-M440 HydrophobicContact CB-CB 4.46Å; V429-M440 HydrophobicContact CG2-CG 3.7Å; V429-M440 HydrophobicContact CG2-SD 4.31Å; F434-M440 HydrophobicContact CB-CB 3.94Å; F434-M440 HydrophobicContact CD1-CB 4.26Å; F434-M440 HydrophobicContact CD2-CB 3.53Å; F434-M440 HydrophobicContact CD2-CG 3.54Å; F434-M440 HydrophobicContact CE2-CB 4.05Å; F434-M440 HydrophobicContact CE2-CG 3.65Å; F434-M440 HydrophobicContact CG-CB 3.65Å; F434-M440 HydrophobicContact CG-CG 4.18Å; F434-M440 HydrophobicContact CZ-CG 4.39Å; S436-M440 PolarHBondContact O-N 2.82Å; V437-M440 HydrophobicContact CG1-CE 3.81Å; V437-M440 WeakPolarHBondContact O-CB 3.36Å; V437-M440 PolarHBondContact O-N 3.43Å; V438-M440 VanDerWaalsContact C-N 3.35Å; V438-M440 PolarHBondContact O-N 3.37Å; M440-F444 HydrophobicContact CG-CD2 4.12Å; M440-F444 HydrophobicContact CG-CE2 3.82Å; M440-F444 VanDerWaalsContact O-CD2 3.25Å; M440-F444 WeakPolarHBondContact O-CD2 3.27Å; M440-F444 PolarHBondContact O-N 3.26Å; M440-F444 VanDerWaalsContact O-N 3.14Å; M440-F444 HydrophobicContact SD-CD2 3.54Å; M440-F444 VanDerWaalsContact SD-CD2 3.54Å; M440-F444 HydrophobicContact SD-CE2 3.59Å; M440-F444 VanDerWaalsContact SD-CE2 3.59Å |
| 441 | L | 93.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 174.6 | -63.7 | 176.5 | 0 | 0 | 0 | 111 | W367 F392 V394 L406 V437 V438 H443 F444 Q445 L461 F482 | W367-L441 HydrophobicContact CD2-CD1 3.73Å; W367-L441 HydrophobicContact CE3-CD1 3.99Å; W367-L441 HydrophobicContact CG-CD1 4.32Å; W367-L441 HydrophobicContact CH2-CD1 4.09Å; W367-L441 HydrophobicContact CZ2-CD1 3.8Å; W367-L441 HydrophobicContact CZ3-CD1 4.17Å; F392-L441 HydrophobicContact CD2-CD2 4.21Å; F392-L441 HydrophobicContact CE2-CD1 3.94Å; F392-L441 HydrophobicContact CE2-CD2 3.54Å; F392-L441 HydrophobicContact CE2-CG 4.29Å; F392-L441 HydrophobicContact CZ-CD1 4.3Å; F392-L441 HydrophobicContact CZ-CD2 4.02Å; V394-L441 HydrophobicContact CG2-CD1 4.48Å; V394-L441 HydrophobicContact CG2-CD2 4.29Å; L406-L441 HydrophobicContact CD1-CD2 3.93Å; L406-L441 HydrophobicContact CD2-CD2 4.32Å; V437-L441 HydrophobicContact CG1-CD1 4.2Å; V437-L441 HydrophobicContact CG1-CG 4.31Å; V437-L441 WeakPolarHBondContact O-CG 3.36Å; V437-L441 PolarHBondContact O-N 2.97Å; V438-L441 PolarHBondContact O-N 3.27Å; L441-H443 VanDerWaalsContact C-N 3.28Å; L441-H443 PolarHBondContact O-N 3.15Å; L441-F444 CarbonylContact O-C 3.59Å; L441-F444 PolarHBondContact O-N 3.09Å; L441-F444 VanDerWaalsContact O-N 3.13Å; L441-Q445 WeakPolarHBondContact O-CG 3.45Å; L441-Q445 PolarHBondContact O-N 3.22Å; L441-L461 HydrophobicContact CB-CD1 4.4Å; L441-L461 HydrophobicContact CD2-CD1 3.62Å; L441-F482 HydrophobicContact CB-CE1 4.46Å; L441-F482 HydrophobicContact CB-CZ 3.78Å; L441-F482 HydrophobicContact CD1-CE2 4.11Å; L441-F482 HydrophobicContact CD1-CZ 3.98Å |
| 442 | H | 89.3 | Confident | 87.5 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 38% | 0.384 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -33.7 | -179.8 | -177.3 | -103.3 | 0 | 0 | 0 | 113.2 | V438 D439 R446 | V438-H442 VanDerWaalsContact O-CB 3.27Å; V438-H442 WeakPolarHBondContact O-CB 3.36Å; V438-H442 PolarHBondContact O-N 2.85Å; D439-H442 PolarHBondContact O-N 3.3Å; H442-R446 PolarHBondContact CD2-NH1 3.4Å; H442-R446 PolarHBondContact CE1-NH1 2.94Å; H442-R446 PolarHBondContact ND1-NH1 3.43Å; H442-R446 VanDerWaalsContact NE2-CZ 3.33Å; H442-R446 PolarHBondContact NE2-NH1 3.47Å; H442-R446 PolarHBondContact NE2-NH2 2.88Å; H442-R446 PolarHBondContact O-NH1 3.34Å |
| 443 | H | 90.7 | Very high | 85.9 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -52.4 | 170.6 | 174.7 | 76.2 | 0 | 0 | 0 | 111.2 | F434 D439 L441 Q445 R446 S447 | F434-H443 HydrophobicContact CD1-CB 4.38Å; F434-H443 HydrophobicContact CE1-CB 3.67Å; F434-H443 AromaticContact CE1-CD2 3.59Å; F434-H443 AromaticContact CE1-CG 3.59Å; F434-H443 HydrophobicContact CZ-CB 4.33Å; F434-H443 AromaticContact CZ-CD2 3.55Å; D439-H443 WeakPolarHBondContact O-CB 3.5Å; D439-H443 PolarHBondContact O-N 3.49Å; L441-H443 VanDerWaalsContact C-N 3.28Å; L441-H443 PolarHBondContact O-N 3.15Å; H443-Q445 PolarHBondContact O-N 3.09Å; H443-Q445 VanDerWaalsContact O-N 3.13Å; H443-R446 PolarHBondContact O-N 3.41Å; H443-S447 PolarHBondContact CE1-OG 3.1Å; H443-S447 VanDerWaalsContact CE1-OG 3.27Å; H443-S447 PolarHBondContact O-N 3.37Å |
| 444 | F | 92.8 | Very high | 84 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.9 | -3.2 | -179 | -65.7 | -46.5 | 0 | 0 | 0 | 115.1 | L417 V429 L432 F434 M440 L441 S447 I449 R460 L461 | L417-F444 HydrophobicContact CD2-CE2 4Å; L417-F444 HydrophobicContact CD2-CZ 4.39Å; V429-F444 HydrophobicContact CG1-CE2 4.27Å; V429-F444 HydrophobicContact CG1-CZ 4.34Å; L432-F444 HydrophobicContact CD1-CE1 4.03Å; L432-F444 HydrophobicContact CD1-CZ 3.91Å; F434-F444 HydrophobicContact CE2-CE2 4.4Å; F434-F444 HydrophobicContact CE2-CZ 4.35Å; F434-F444 HydrophobicContact CZ-CE2 4.48Å; F434-F444 HydrophobicContact CZ-CZ 4.22Å; M440-F444 HydrophobicContact CG-CD2 4.12Å; M440-F444 HydrophobicContact CG-CE2 3.82Å; M440-F444 VanDerWaalsContact O-CD2 3.25Å; M440-F444 WeakPolarHBondContact O-CD2 3.27Å; M440-F444 PolarHBondContact O-N 3.26Å; M440-F444 VanDerWaalsContact O-N 3.14Å; M440-F444 HydrophobicContact SD-CD2 3.54Å; M440-F444 VanDerWaalsContact SD-CD2 3.54Å; M440-F444 HydrophobicContact SD-CE2 3.59Å; M440-F444 VanDerWaalsContact SD-CE2 3.59Å; L441-F444 CarbonylContact O-C 3.59Å; L441-F444 PolarHBondContact O-N 3.09Å; L441-F444 VanDerWaalsContact O-N 3.13Å; F444-S447 CarbonylContact C-O 3.59Å; F444-S447 VanDerWaalsContact CA-O 3.32Å; F444-S447 WeakPolarHBondContact CA-O 3.32Å; F444-I449 HydrophobicContact CB-CG1 3.91Å; F444-I449 HydrophobicContact CD1-CB 4.35Å; F444-I449 HydrophobicContact CD1-CG1 3.78Å; F444-I449 HydrophobicContact CD2-CG1 4.25Å; F444-I449 HydrophobicContact CE1-CG1 4.36Å; F444-I449 HydrophobicContact CG-CG1 3.74Å; F444-R460 CarbonylContact O-C 3.58Å; F444-R460 VanDerWaalsContact O-CA 3.28Å; F444-R460 WeakPolarHBondContact O-CA 3.25Å; F444-L461 HydrophobicContact CB-CD1 3.82Å; F444-L461 HydrophobicContact CB-CG 3.91Å; F444-L461 PolarHBondContact O-N 2.94Å |
| 445 | Q | 89.5 | Confident | 81.7 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 23% | 0.229 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -28 | 163.3 | -65 | -162.9 | -86.6 | 0 | 0 | 113.3 | L441 H443 R460 L461 F482 | L441-Q445 WeakPolarHBondContact O-CG 3.45Å; L441-Q445 PolarHBondContact O-N 3.22Å; H443-Q445 PolarHBondContact O-N 3.09Å; H443-Q445 VanDerWaalsContact O-N 3.13Å; Q445-R460 WeakPolarHBondContact O-CD 3.44Å; Q445-L461 HydrophobicContact CG-CB 4.29Å; Q445-F482 HydrophobicContact CG-CD1 4.15Å; Q445-F482 HydrophobicContact CG-CE1 4.33Å; Q445-F482 VanDerWaalsContact NE2-CD1 3.29Å; Q445-F482 PolarHBondContact NE2-O 2.85Å; Q445-F482 VanDerWaalsContact OE1-CD1 3.27Å |
| 446 | R | 86.6 | Confident | 79.9 | Confident | 154 Ų | 154 | 56.2 Ų | 56.2 | 58% | 0.581 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -43.2 | -172.1 | -66.1 | 177.5 | -176 | 79.5 | -9.8 | 111.9 | H442 H443 R460 | H442-R446 PolarHBondContact CD2-NH1 3.4Å; H442-R446 PolarHBondContact CE1-NH1 2.94Å; H442-R446 PolarHBondContact ND1-NH1 3.43Å; H442-R446 VanDerWaalsContact NE2-CZ 3.33Å; H442-R446 PolarHBondContact NE2-NH1 3.47Å; H442-R446 PolarHBondContact NE2-NH2 2.88Å; H442-R446 PolarHBondContact O-NH1 3.34Å; H443-R446 PolarHBondContact O-N 3.41Å; R446-R460 VanDerWaalsContact O-CD 3.26Å; R446-R460 WeakPolarHBondContact O-CD 3.27Å |
| 447 | S | 86.7 | Confident | 78.4 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -92 | 138.7 | 171.9 | -60 | 0 | 0 | 0 | 0 | 109.7 | H443 F444 | H443-S447 PolarHBondContact CE1-OG 3.1Å; H443-S447 VanDerWaalsContact CE1-OG 3.27Å; H443-S447 PolarHBondContact O-N 3.37Å; F444-S447 CarbonylContact C-O 3.59Å; F444-S447 VanDerWaalsContact CA-O 3.32Å; F444-S447 WeakPolarHBondContact CA-O 3.32Å |
| 448 | P | 88.1 | Confident | 77.7 | Confident | 47 Ų | 47 | 61 Ų | 61 | 31% | 0.305 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 149.3 | 173.7 | 28.6 | -34.3 | 0 | 0 | 0 | 111.2 | D458 V459 | P448-D458 HydrophobicContact CB-CB 4Å; P448-V459 CarbonylContact C-O 3.6Å; P448-V459 WeakPolarHBondContact CA-O 3.4Å |
| 449 | I | 87.3 | Confident | 77.6 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -69 | 125.5 | 173.1 | -59.7 | 172 | 0 | 0 | 0 | 108.4 | L406 F408 L417 F444 L451 V459 L461 | L406-I449 HydrophobicContact CD2-CD1 4.47Å; F408-I449 HydrophobicContact CD1-CD1 4.09Å; F408-I449 HydrophobicContact CD2-CD1 4.22Å; F408-I449 HydrophobicContact CE1-CD1 3.84Å; F408-I449 HydrophobicContact CE2-CD1 4Å; F408-I449 HydrophobicContact CG-CD1 4.26Å; F408-I449 HydrophobicContact CZ-CD1 3.78Å; F408-I449 HydrophobicContact CZ-CG2 4.39Å; L417-I449 HydrophobicContact CD2-CG2 3.74Å; F444-I449 HydrophobicContact CB-CG1 3.91Å; F444-I449 HydrophobicContact CD1-CB 4.35Å; F444-I449 HydrophobicContact CD1-CG1 3.78Å; F444-I449 HydrophobicContact CD2-CG1 4.25Å; F444-I449 HydrophobicContact CE1-CG1 4.36Å; F444-I449 HydrophobicContact CG-CG1 3.74Å; I449-L451 HydrophobicContact CG2-CD2 4.02Å; I449-L451 HydrophobicContact CG2-CG 4.32Å; I449-L451 PolarHBondContact O-N 3.29Å; I449-V459 HydrophobicContact CB-CG1 4.09Å; I449-V459 PolarHBondContact N-O 2.99Å; I449-L461 HydrophobicContact CD1-CD2 3.9Å; I449-L461 HydrophobicContact CD1-CG 4.35Å |
| 450 | P | 77.6 | Confident | 77.6 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | trans | -68.9 | 107 | 177.2 | 27.4 | -33.6 | 0 | 0 | 0 | 110.5 | Q430 L432 | Q430-P450 PolarHBondContact NE2-O 2.68Å; L432-P450 HydrophobicContact CD1-CG 4.14Å | ||
| 451 | L | 76.3 | Confident | 77.6 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | trans | -112.4 | 146 | 174.7 | -62 | -177.5 | 0 | 0 | 0 | 110.2 | F408 F410 I449 C453 V459 | F408-L451 HydrophobicContact CE2-CD1 4.47Å; F408-L451 HydrophobicContact CZ-CD1 4.26Å; F408-L451 HydrophobicContact CZ-CD2 4.22Å; F410-L451 HydrophobicContact CD2-CD1 3.95Å; F410-L451 HydrophobicContact CE2-CD1 4.18Å; I449-L451 HydrophobicContact CG2-CD2 4.02Å; I449-L451 HydrophobicContact CG2-CG 4.32Å; I449-L451 PolarHBondContact O-N 3.29Å; L451-C453 HydrophobicContact CB-CB 4.36Å; L451-C453 PolarHBondContact O-N 2.77Å; L451-V459 HydrophobicContact CD1-CG1 3.76Å; L451-V459 HydrophobicContact CG-CG1 4.45Å | ||
| 452 | E | 67 | Low | 77.4 | Confident | 212 Ų | 212 | 66 Ų | 66 | 99% | 0.991 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -71.5 | 15.8 | 175.7 | -58.1 | 177.8 | 158.2 | 0 | 0 | 113.2 | ||
| 453 | C | 54.3 | Low | 77.3 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 42% | 0.419 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -97.3 | 121.3 | -179.3 | -158.6 | 0 | 0 | 0 | 0 | 108 | L451 C457 | L451-C453 HydrophobicContact CB-CB 4.36Å; L451-C453 PolarHBondContact O-N 2.77Å; C453-C457 VanDerWaalsContact C-SG 3.6Å; C453-C457 HydrophobicContact CB-CB 4Å; C453-C457 WeakPolarHBondContact CB-SG 3.46Å; C453-C457 WeakPolarHBondContact O-CB 3.45Å; C453-C457 PolarHBondContact O-SG 2.99Å; C453-C457 VanDerWaalsContact O-SG 3.34Å; C453-C457 PolarHBondContact SG-SG 2.81Å |
| 454 | G | 51.6 | Low | 77.3 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 65% | 0.649 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 140.8 | -156.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | A456 | G454-A456 PolarHBondContact O-N 2.94Š|
| 455 | A | 42.3 | Very low | 77 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 99% | 0.992 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | -20.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 456 | A | 48.1 | Very low | 76.6 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.5 | 18.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G454 D458 | G454-A456 PolarHBondContact O-N 2.94Å; A456-D458 VanDerWaalsContact C-N 3.33Å; A456-D458 PolarHBondContact O-N 3.23Å |
| 457 | C | 58.5 | Low | 75.6 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | trans | -94.3 | 47.7 | -169.3 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | F410 C453 V459 | F410-C457 HydrophobicContact CE2-CB 3.96Å; F410-C457 HydrophobicContact CZ-CB 3.78Å; C453-C457 VanDerWaalsContact C-SG 3.6Å; C453-C457 HydrophobicContact CB-CB 4Å; C453-C457 WeakPolarHBondContact CB-SG 3.46Å; C453-C457 WeakPolarHBondContact O-CB 3.45Å; C453-C457 PolarHBondContact O-SG 2.99Å; C453-C457 VanDerWaalsContact O-SG 3.34Å; C453-C457 PolarHBondContact SG-SG 2.81Å; C457-V459 VanDerWaalsContact C-N 3.31Å; C457-V459 PolarHBondContact O-N 2.99Å | ||
| 458 | D | 77.1 | Confident | 73.9 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | trans | -76.5 | 68.6 | -174 | -84.6 | 9.6 | 0 | 0 | 0 | 113.9 | P448 A456 | P448-D458 HydrophobicContact CB-CB 4Å; A456-D458 VanDerWaalsContact C-N 3.33Å; A456-D458 PolarHBondContact O-N 3.23Å | ||
| 459 | V | 86.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -82 | 122.3 | 172.7 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | H389 F408 F410 P448 I449 L451 C457 | H389-V459 WeakPolarHBondContact NE2-CA 3.24Å; H389-V459 WeakPolarHBondContact NE2-CB 3.21Å; F408-V459 HydrophobicContact CD2-CG2 3.92Å; F408-V459 HydrophobicContact CE2-CG1 3.93Å; F408-V459 HydrophobicContact CE2-CG2 3.86Å; F410-V459 HydrophobicContact CD2-CB 3.66Å; F410-V459 HydrophobicContact CD2-CG1 3.62Å; F410-V459 HydrophobicContact CD2-CG2 4.29Å; F410-V459 HydrophobicContact CE2-CB 3.98Å; F410-V459 HydrophobicContact CE2-CG1 3.93Å; P448-V459 CarbonylContact C-O 3.6Å; P448-V459 WeakPolarHBondContact CA-O 3.4Å; I449-V459 HydrophobicContact CB-CG1 4.09Å; I449-V459 PolarHBondContact N-O 2.99Å; L451-V459 HydrophobicContact CD1-CG1 3.76Å; L451-V459 HydrophobicContact CG-CG1 4.45Å; C457-V459 VanDerWaalsContact C-N 3.31Å; C457-V459 PolarHBondContact O-N 2.99Å | ||
| 460 | R | 92.1 | Very high | 69 | Low | 120 Ų | 120 | 62 Ų | 62 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | trans | -114 | 149 | 171.2 | -66.8 | -178.4 | -63.4 | -90 | -1.7 | 109.9 | G390 F444 Q445 R446 S462 | G390-R460 VanDerWaalsContact CA-O 3.3Å; G390-R460 WeakPolarHBondContact CA-O 3.49Å; F444-R460 CarbonylContact O-C 3.58Å; F444-R460 VanDerWaalsContact O-CA 3.28Å; F444-R460 WeakPolarHBondContact O-CA 3.25Å; Q445-R460 WeakPolarHBondContact O-CD 3.44Å; R446-R460 VanDerWaalsContact O-CD 3.26Å; R446-R460 WeakPolarHBondContact O-CD 3.27Å; R460-S462 PolarHBondContact O-N 3.42Å | ||
| 461 | L | 93.6 | Very high | 66.8 | Low | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | trans | -73.9 | 120 | 179.2 | -63 | -175 | 0 | 0 | 0 | 110.7 | F392 L406 F408 L441 F444 Q445 I449 | F392-L461 HydrophobicContact CB-CD2 4.04Å; F392-L461 HydrophobicContact CD1-CB 3.9Å; F392-L461 HydrophobicContact CD1-CD1 4.25Å; F392-L461 HydrophobicContact CD1-CD2 3.74Å; F392-L461 HydrophobicContact CD1-CG 4.18Å; F392-L461 HydrophobicContact CE1-CB 3.69Å; F392-L461 HydrophobicContact CE1-CD1 4.06Å; F392-L461 HydrophobicContact CE1-CD2 4.31Å; F392-L461 HydrophobicContact CE1-CG 4.24Å; F392-L461 HydrophobicContact CE2-CD1 4.37Å; F392-L461 HydrophobicContact CG-CD1 4.46Å; F392-L461 HydrophobicContact CG-CD2 3.93Å; F392-L461 HydrophobicContact CZ-CB 4.42Å; F392-L461 HydrophobicContact CZ-CD1 4.07Å; L406-L461 HydrophobicContact CD1-CD1 4.5Å; L406-L461 HydrophobicContact CD2-CD1 4.09Å; L406-L461 HydrophobicContact CD2-CD2 4.42Å; F408-L461 HydrophobicContact CB-CD2 4.23Å; L441-L461 HydrophobicContact CB-CD1 4.4Å; L441-L461 HydrophobicContact CD2-CD1 3.62Å; F444-L461 HydrophobicContact CB-CD1 3.82Å; F444-L461 HydrophobicContact CB-CG 3.91Å; F444-L461 PolarHBondContact O-N 2.94Å; Q445-L461 HydrophobicContact CG-CB 4.29Å; I449-L461 HydrophobicContact CD1-CD2 3.9Å; I449-L461 HydrophobicContact CD1-CG 4.35Å | ||
| 462 | S | 89.1 | Confident | 65.4 | Low | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | trans | -106.4 | -54.5 | -168.9 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | H389 G390 V391 R460 | H389-S462 PolarHBondContact O-OG 3.03Å; G390-S462 WeakPolarHBondContact CA-OG 3.43Å; G390-S462 PolarHBondContact O-N 3.28Å; G390-S462 VanDerWaalsContact O-N 3.09Å; G390-S462 PolarHBondContact O-OG 3.37Å; V391-S462 PolarHBondContact N-OG 3.25Å; R460-S462 PolarHBondContact O-N 3.42Å | ||
| 463 | S | 87.3 | Confident | 64.2 | Low | 22 Ų | 22 | 60.9 Ų | 60.9 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 164.6 | -178.7 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | V391 F392 F480 | V391-S463 WeakPolarHBondContact CA-O 3.31Å; V391-S463 WeakPolarHBondContact CG2-OG 3.48Å; F392-S463 WeakPolarHBondContact CD1-O 3.21Å; F392-S463 PolarHBondContact N-O 3.33Å; F392-S463 VanDerWaalsContact N-O 3.07Å; S463-F480 WeakPolarHBondContact CA-O 3.39Å; S463-F480 WeakPolarHBondContact CB-O 3.39Å |
| 464 | Y | 90.3 | Very high | 63.2 | Low | 31 Ų | 31 | 61.2 Ų | 61.2 | 12% | 0.122 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.3 | -176.3 | 64.7 | -80.8 | 0 | 0 | 0 | 112.2 | P366 W367 F392 V466 L479 F480 F482 | P366-Y464 HydrophobicContact CB-CE2 3.83Å; P366-Y464 HydrophobicContact CG-CE2 3.59Å; W367-Y464 HydrophobicContact CB-CD2 3.77Å; W367-Y464 HydrophobicContact CB-CG 3.93Å; F392-Y464 VanDerWaalsContact O-CA 3.31Å; F392-Y464 WeakPolarHBondContact O-CA 3.48Å; Y464-V466 HydrophobicContact CD2-CG2 3.7Å; Y464-V466 HydrophobicContact CE2-CG2 3.4Å; Y464-L479 WeakPolarHBondContact O-CA 3.31Å; Y464-F480 HydrophobicContact CD1-CB 4.17Å; Y464-F480 VanDerWaalsContact CD1-O 3.24Å; Y464-F480 WeakPolarHBondContact CD1-O 3.44Å; Y464-F480 HydrophobicContact CD2-CB 4.41Å; Y464-F480 HydrophobicContact CE1-CB 3.58Å; Y464-F480 HydrophobicContact CE2-CB 3.83Å; Y464-F480 HydrophobicContact CE2-CG 4.48Å; Y464-F480 VanDerWaalsContact CZ-CB 3.4Å; Y464-F480 PolarHBondContact N-O 3.36Å; Y464-F480 PolarHBondContact O-N 2.9Å; Y464-F482 HydrophobicContact CD1-CB 4.05Å; Y464-F482 AromaticContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CG 4.25Å; Y464-F482 HydrophobicContact CE1-CD2 4.23Å; Y464-F482 HydrophobicContact CG-CD2 4.25Å |
| 465 | V | 86.9 | Confident | 62.5 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.3 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | H369 L380 V381 V391 F392 L393 T477 L479 | H369-V465 PolarHBondContact NE2-O 3.5Å; L380-V465 HydrophobicContact CB-CG1 4.15Å; L380-V465 HydrophobicContact CD1-CG1 4.49Å; L380-V465 HydrophobicContact CD2-CG1 4.35Å; V381-V465 HydrophobicContact CG1-CG2 3.95Å; V391-V465 HydrophobicContact CG1-CG2 3.61Å; F392-V465 PolarHBondContact O-N 3.19Å; L393-V465 HydrophobicContact CB-CB 4.4Å; L393-V465 HydrophobicContact CD2-CB 4.25Å; L393-V465 HydrophobicContact CD2-CG2 4.27Å; V465-T477 HydrophobicContact CG1-CG2 3.39Å; V465-L479 HydrophobicContact CB-CD2 4.44Å; V465-L479 HydrophobicContact CG2-CD2 3.96Å |
| 466 | V | 81.8 | Confident | 62.7 | Low | 25 Ų | 25 | 60.6 Ų | 60.6 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.9 | 163.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | P366 Y464 V468 V478 F480 | P366-V466 HydrophobicContact CB-CG2 4.13Å; Y464-V466 HydrophobicContact CD2-CG2 3.7Å; Y464-V466 HydrophobicContact CE2-CG2 3.4Å; V466-V468 HydrophobicContact CG1-CG2 4.14Å; V466-V478 PolarHBondContact N-O 2.93Å; V466-V478 PolarHBondContact O-N 3.04Å; V466-F480 HydrophobicContact CB-CD2 3.78Å; V466-F480 HydrophobicContact CB-CE2 3.84Å; V466-F480 HydrophobicContact CG1-CE2 4.28Å; V466-F480 HydrophobicContact CG2-CD2 3.4Å; V466-F480 HydrophobicContact CG2-CE2 3.86Å; V466-F480 HydrophobicContact CG2-CG 4.22Å |
| 467 | V | 64.7 | Low | 63 | Low | 48 Ų | 48 | 58.7 Ų | 58.7 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 111.2 | 172.4 | 172.7 | 0 | 0 | 0 | 0 | 108.3 | L380 | L380-V467 HydrophobicContact CD1-CG2 3.79Å; L380-V467 HydrophobicContact CD2-CG2 3.86Å |
| 468 | V | 52.3 | Low | 63.3 | Low | 45 Ų | 45 | 60.4 Ų | 60.4 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.4 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V466 Q470 N476 V478 | V466-V468 HydrophobicContact CG1-CG2 4.14Å; V468-Q470 PolarHBondContact O-N 2.83Å; V468-N476 PolarHBondContact N-O 3.23Å; V468-V478 HydrophobicContact CG2-CG2 4.43Å |
| 469 | S | 37.8 | Very low | 62.7 | Low | 112 Ų | 112 | 58.2 Ų | 58.2 | 78% | 0.783 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 115.8 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 470 | Q | 33.3 | Very low | 61.4 | Low | 79 Ų | 79 | 61.2 Ų | 61.2 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 162.1 | 168.6 | -71.1 | -160.6 | 3 | 0 | 0 | 110.4 | V468 | V468-Q470 PolarHBondContact O-N 2.83Š|
| 471 | P | 32.1 | Very low | 60 | Low | 102 Ų | 102 | 60.1 Ų | 60.1 | 66% | 0.662 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -51.9 | 155.4 | 171.2 | 19.6 | -33 | 0 | 0 | 0 | 112.6 | G473 | P471-G473 PolarHBondContact O-N 3.26Š|
| 472 | P | 46.4 | Very low | 57.9 | Low | 102 Ų | 102 | 60.7 Ų | 60.7 | 66% | 0.662 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 117.8 | -153.7 | 23 | -34.8 | 0 | 0 | 0 | 113.3 | ||
| 473 | G | 42.2 | Very low | 56 | Low | 83 Ų | 83 | 61.4 Ų | 61.4 | 86% | 0.856 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 157.1 | -32.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P471 | P471-G473 PolarHBondContact O-N 3.26Š|
| 474 | S | 33.5 | Very low | 54.1 | Low | 68 Ų | 68 | 62.4 Ų | 62.4 | 48% | 0.476 | 40% | 0.395 | S | S | . | . | trans | -140.3 | 146.5 | 177.9 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | N476 | S474-N476 PolarHBondContact OG-OD1 3.04Å; S474-N476 VanDerWaalsContact OG-OD1 3.14Å | ||
| 475 | C | 36.5 | Very low | 51.7 | Low | 96 Ų | 96 | 63 Ų | 63 | 65% | 0.649 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 91.3 | 171.7 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | T477 | C475-T477 PolarHBondContact O-N 3.37Å |
| 476 | N | 46.4 | Very low | 49.4 | Very low | 75 Ų | 75 | 70.6 Ų | 70.6 | 40% | 0.401 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 112.8 | 178.1 | -70.2 | -6.5 | 0 | 0 | 0 | 109.5 | V468 S474 | V468-N476 PolarHBondContact N-O 3.23Å; S474-N476 PolarHBondContact OG-OD1 3.04Å; S474-N476 VanDerWaalsContact OG-OD1 3.14Å |
| 477 | T | 54.5 | Low | 47.3 | Very low | 41 Ų | 41 | 73.5 Ų | 73.5 | 25% | 0.252 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.6 | 173.1 | -58.4 | 0 | 0 | 0 | 0 | 108.6 | L380 L383 V465 C475 | L380-T477 HydrophobicContact CD2-CG2 3.86Å; L380-T477 WeakPolarHBondContact CD2-OG1 3.48Å; L383-T477 HydrophobicContact CD1-CG2 3.67Å; V465-T477 HydrophobicContact CG1-CG2 3.39Å; C475-T477 PolarHBondContact O-N 3.37Å |
| 478 | V | 64.6 | Low | 45.6 | Very low | 59 Ų | 59 | 77 Ų | 77 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.6 | -177.5 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | V466 V468 F480 | V466-V478 PolarHBondContact N-O 2.93Å; V466-V478 PolarHBondContact O-N 3.04Å; V468-V478 HydrophobicContact CG2-CG2 4.43Å; V478-F480 HydrophobicContact CB-CD2 4.28Å; V478-F480 HydrophobicContact CB-CE2 3.8Å; V478-F480 HydrophobicContact CG1-CD2 3.89Å; V478-F480 HydrophobicContact CG1-CE2 3.47Å; V478-F480 VanDerWaalsContact CG1-CE2 3.47Å; V478-F480 HydrophobicContact CG1-CZ 4.06Å |
| 479 | L | 65.2 | Low | 44.6 | Very low | 54 Ų | 54 | 79 Ų | 79 | 28% | 0.283 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.3 | 171.9 | -59.1 | -172 | 0 | 0 | 0 | 109.5 | V391 Y464 V465 | V391-L479 HydrophobicContact CG1-CD1 4.35Å; V391-L479 HydrophobicContact CG1-CD2 3.7Å; V391-L479 HydrophobicContact CG2-CD1 3.8Å; Y464-L479 WeakPolarHBondContact O-CA 3.31Å; V465-L479 HydrophobicContact CB-CD2 4.44Å; V465-L479 HydrophobicContact CG2-CD2 3.96Å |
| 480 | F | 59.4 | Low | 44.4 | Very low | 62 Ų | 62 | 81.2 Ų | 81.2 | 27% | 0.272 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137 | 176.2 | -78.8 | -98.5 | 0 | 0 | 0 | 110.6 | S463 Y464 V466 V478 F482 | S463-F480 WeakPolarHBondContact CA-O 3.39Å; S463-F480 WeakPolarHBondContact CB-O 3.39Å; Y464-F480 HydrophobicContact CD1-CB 4.17Å; Y464-F480 VanDerWaalsContact CD1-O 3.24Å; Y464-F480 WeakPolarHBondContact CD1-O 3.44Å; Y464-F480 HydrophobicContact CD2-CB 4.41Å; Y464-F480 HydrophobicContact CE1-CB 3.58Å; Y464-F480 HydrophobicContact CE2-CB 3.83Å; Y464-F480 HydrophobicContact CE2-CG 4.48Å; Y464-F480 VanDerWaalsContact CZ-CB 3.4Å; Y464-F480 PolarHBondContact N-O 3.36Å; Y464-F480 PolarHBondContact O-N 2.9Å; V466-F480 HydrophobicContact CB-CD2 3.78Å; V466-F480 HydrophobicContact CB-CE2 3.84Å; V466-F480 HydrophobicContact CG1-CE2 4.28Å; V466-F480 HydrophobicContact CG2-CD2 3.4Å; V466-F480 HydrophobicContact CG2-CE2 3.86Å; V466-F480 HydrophobicContact CG2-CG 4.22Å; V478-F480 HydrophobicContact CB-CD2 4.28Å; V478-F480 HydrophobicContact CB-CE2 3.8Å; V478-F480 HydrophobicContact CG1-CD2 3.89Å; V478-F480 HydrophobicContact CG1-CE2 3.47Å; V478-F480 VanDerWaalsContact CG1-CE2 3.47Å; V478-F480 HydrophobicContact CG1-CZ 4.06Å; F480-F482 PolarHBondContact O-N 3.24Å |
| 481 | P | 62.4 | Low | 44.3 | Very low | 98 Ų | 98 | 84.2 Ų | 84.2 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 134.4 | 173.9 | 27.3 | -33.9 | 0 | 0 | 0 | 109.7 | S483 | P481-S483 PolarHBondContact O-N 3.48Å |
| 482 | F | 49.2 | Very low | 44 | Very low | 15 Ų | 15 | 82.8 Ų | 82.8 | 7% | 0.066 | 50% | 0.499 | C | S | . | . | trans | -79.2 | 96.3 | -173.5 | -168.5 | -85.9 | 0 | 0 | 0 | 111.9 | W367 F392 L441 Q445 Y464 F480 L484 | W367-F482 AromaticContact CD1-CE2 3.6Å; W367-F482 HydrophobicContact CG-CE2 4.26Å; W367-F482 AromaticContact NE1-CE2 3.96Å; F392-F482 AromaticContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CD2 3.87Å; F392-F482 HydrophobicContact CE1-CE2 4.26Å; F392-F482 HydrophobicContact CE1-CG 4.4Å; F392-F482 HydrophobicContact CE2-CD2 4.48Å; F392-F482 HydrophobicContact CE2-CE2 4.18Å; F392-F482 AromaticContact CZ-CD2 3.43Å; F392-F482 HydrophobicContact CZ-CD2 3.43Å; F392-F482 VanDerWaalsContact CZ-CD2 3.43Å; F392-F482 AromaticContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CE2 3.38Å; F392-F482 HydrophobicContact CZ-CG 4.28Å; F392-F482 HydrophobicContact CZ-CZ 4.14Å; L441-F482 HydrophobicContact CB-CE1 4.46Å; L441-F482 HydrophobicContact CB-CZ 3.78Å; L441-F482 HydrophobicContact CD1-CE2 4.11Å; L441-F482 HydrophobicContact CD1-CZ 3.98Å; Q445-F482 HydrophobicContact CG-CD1 4.15Å; Q445-F482 HydrophobicContact CG-CE1 4.33Å; Q445-F482 VanDerWaalsContact NE2-CD1 3.29Å; Q445-F482 PolarHBondContact NE2-O 2.85Å; Q445-F482 VanDerWaalsContact OE1-CD1 3.27Å; Y464-F482 HydrophobicContact CD1-CB 4.05Å; Y464-F482 AromaticContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CD2 3.6Å; Y464-F482 HydrophobicContact CD1-CG 4.25Å; Y464-F482 HydrophobicContact CE1-CD2 4.23Å; Y464-F482 HydrophobicContact CG-CD2 4.25Å; F480-F482 PolarHBondContact O-N 3.24Å; F482-L484 HydrophobicContact CE1-CB 4.11Å; F482-L484 HydrophobicContact CE1-CD1 3.67Å; F482-L484 HydrophobicContact CE1-CG 3.76Å; F482-L484 HydrophobicContact CE2-CD1 4.22Å; F482-L484 HydrophobicContact CE2-CG 4.16Å; F482-L484 HydrophobicContact CZ-CB 4.37Å; F482-L484 HydrophobicContact CZ-CD1 3.27Å; F482-L484 HydrophobicContact CZ-CG 3.52Å | ||
| 483 | S | 48.2 | Very low | 43.2 | Very low | 73 Ų | 73 | 85 Ų | 85 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | trans | -121.4 | 93.4 | 170.9 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | P481 | P481-S483 PolarHBondContact O-N 3.48Š| ||
| 484 | L | 49.3 | Very low | 43.1 | Very low | 43 Ų | 43 | 85.7 Ų | 85.7 | 23% | 0.225 | 49% | 0.494 | C | S | . | . | trans | -78.7 | 128.5 | 173.9 | -98.1 | 178.5 | 0 | 0 | 0 | 110.7 | Y365 V438 F482 | Y365-L484 HydrophobicContact CD1-CD2 3.96Å; Y365-L484 HydrophobicContact CE1-CD2 4Å; V438-L484 HydrophobicContact CB-CD1 4.07Å; V438-L484 HydrophobicContact CG1-CD1 3.75Å; V438-L484 HydrophobicContact CG2-CD1 3.77Å; V438-L484 HydrophobicContact CG2-CD2 4.36Å; F482-L484 HydrophobicContact CE1-CB 4.11Å; F482-L484 HydrophobicContact CE1-CD1 3.67Å; F482-L484 HydrophobicContact CE1-CG 3.76Å; F482-L484 HydrophobicContact CE2-CD1 4.22Å; F482-L484 HydrophobicContact CE2-CG 4.16Å; F482-L484 HydrophobicContact CZ-CB 4.37Å; F482-L484 HydrophobicContact CZ-CD1 3.27Å; F482-L484 HydrophobicContact CZ-CG 3.52Å | ||
| 485 | P | 39.4 | Very low | 43 | Very low | 43 Ų | 43 | 91.8 Ų | 91.8 | 28% | 0.279 | 52% | 0.515 | S | S | . | . | trans | -67.8 | 140.5 | 164.4 | 28.7 | -32.6 | 0 | 0 | 0 | 110.4 | W487 | P485-W487 PolarHBondContact O-N 2.97Š| ||
| 486 | H | 37.4 | Very low | 42.6 | Very low | 159 Ų | 159 | 95.4 Ų | 95.4 | 74% | 0.736 | 53% | 0.527 | S | S | * | . | trans | -70.2 | 106.2 | 170.5 | -176 | -83.1 | 0 | 0 | 0 | 108.8 | D488 | H486-D488 IonicContact CE1-OD1 3Å; H486-D488 PolarHBondContact CE1-OD1 3.26Å; H486-D488 VanDerWaalsContact CE1-OD1 3.28Å; H486-D488 IonicContact CE1-OD2 2.76Å; H486-D488 PolarHBondContact CE1-OD2 3.45Å; H486-D488 IonicContact ND1-OD1 3.48Å; H486-D488 IonicContact ND1-OD2 3.74Å; H486-D488 PolarHBondContact ND1-OD2 2.89Å; H486-D488 VanDerWaalsContact ND1-OD2 3.11Å | ||
| 487 | W | 38 | Very low | 41.6 | Very low | 87 Ų | 87 | 98 Ų | 98 | 33% | 0.33 | 55% | 0.55 | S | S | . | * | trans | -101.8 | 113.8 | 176.5 | 68.9 | -72.8 | 0 | 0 | 0 | 108 | F361 Y365 P485 S489 | F361-W487 HydrophobicContact CE1-CH2 4.44Å; F361-W487 HydrophobicContact CE1-CZ2 4.45Å; F361-W487 HydrophobicContact CE2-CE3 4.33Å; F361-W487 AromaticContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CH2 3.53Å; F361-W487 HydrophobicContact CE2-CZ2 4.05Å; F361-W487 AromaticContact CE2-CZ3 3.69Å; F361-W487 HydrophobicContact CE2-CZ3 3.69Å; F361-W487 AromaticContact CZ-CH2 3.34Å; F361-W487 HydrophobicContact CZ-CH2 3.34Å; F361-W487 AromaticContact CZ-CZ2 3.44Å; F361-W487 HydrophobicContact CZ-CZ2 3.44Å; F361-W487 VanDerWaalsContact CZ-CZ2 3.44Å; F361-W487 AromaticContact CZ-CZ3 3.97Å; F361-W487 HydrophobicContact CZ-CZ3 3.97Å; Y365-W487 PolarHBondContact OH-NE1 2.96Å; P485-W487 PolarHBondContact O-N 2.97Å; W487-S489 WeakPolarHBondContact CH2-OG 3.27Å; W487-S489 WeakPolarHBondContact CZ2-OG 3.39Å; W487-S489 VanDerWaalsContact CZ3-OG 3.3Å; W487-S489 WeakPolarHBondContact CZ3-OG 3.5Å; W487-S489 PolarHBondContact O-N 3.43Å | ||
| 488 | D | 28.6 | Very low | 40.2 | Very low | 120 Ų | 120 | 101.9 Ų | 101.9 | 64% | 0.642 | 58% | 0.579 | S | S | * | * | trans | -70.2 | 127.6 | -179.8 | -78.4 | -83.8 | 0 | 0 | 0 | 110.9 | H486 E490 | H486-D488 IonicContact CE1-OD1 3Å; H486-D488 PolarHBondContact CE1-OD1 3.26Å; H486-D488 VanDerWaalsContact CE1-OD1 3.28Å; H486-D488 IonicContact CE1-OD2 2.76Å; H486-D488 PolarHBondContact CE1-OD2 3.45Å; H486-D488 IonicContact ND1-OD1 3.48Å; H486-D488 IonicContact ND1-OD2 3.74Å; H486-D488 PolarHBondContact ND1-OD2 2.89Å; H486-D488 VanDerWaalsContact ND1-OD2 3.11Å; D488-E490 PolarHBondContact O-N 3.33Å; D488-E490 VanDerWaalsContact O-N 3.08Å | ||
| 489 | S | 32.6 | Very low | 38.5 | Very low | 89 Ų | 89 | 105.1 Ų | 105.1 | 62% | 0.622 | 60% | 0.604 | S | S | * | * | trans | -85.9 | 48.7 | -175.5 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | W487 | W487-S489 WeakPolarHBondContact CH2-OG 3.27Å; W487-S489 WeakPolarHBondContact CZ2-OG 3.39Å; W487-S489 VanDerWaalsContact CZ3-OG 3.3Å; W487-S489 WeakPolarHBondContact CZ3-OG 3.5Å; W487-S489 PolarHBondContact O-N 3.43Å | ||
| 490 | E | 32.8 | Very low | 36.6 | Very low | 158 Ų | 158 | 106 Ų | 106 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | trans | -142.1 | 140.5 | 178.4 | -86.6 | -149.9 | 162.7 | 0 | 0 | 109.9 | D488 | D488-E490 PolarHBondContact O-N 3.33Å; D488-E490 VanDerWaalsContact O-N 3.08Å | ||
| 491 | L | 31.6 | Very low | 35.1 | Very low | 141 Ų | 141 | 109.2 Ų | 109.2 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | cis | -148.1 | 162.5 | 19.9 | -113.4 | 156.2 | 0 | 0 | 0 | 112.9 | ||||
| 492 | G | 26.1 | Very low | 33.8 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -121.3 | 24.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 493 | L | 28.5 | Very low | 33 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | 67.9 | 173.4 | 172.3 | -54 | 177 | 0 | 0 | 0 | 115.2 | ||||
| 494 | P | 41.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | -139.3 | 126.6 | -81.8 | 38 | -19.4 | 0 | 0 | 0 | 115.1 | |||||
| 495 | H | 30.6 | Very low | 30.9 | Very low | 196 Ų | 196 | 127.5 Ų | 127.5 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | trans | -136.7 | 147.9 | 165.6 | -74.2 | -65.4 | 0 | 0 | 0 | 113.4 | ||||
| 496 | L | 28.2 | Very low | 30.2 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -84.8 | 133.9 | -166.2 | -64.7 | 158.1 | 0 | 0 | 0 | 112.8 | ||||
| 497 | S | 25.2 | Very low | 30.4 | Very low | 128 Ų | 128 | 128 Ų | 128 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | 179.8 | 148.1 | 125.8 | -80 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 498 | S | 26.1 | Very low | 30 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -138.9 | 123.6 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 499 | S | 28.4 | Very low | 29.8 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -172.1 | 137.8 | 161.6 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 500 | G | 25.9 | Very low | 29.5 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | cis | 177.8 | 145.4 | -10.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 501 | C | 27.8 | Very low | 30 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -93.1 | 155.9 | -179.4 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 502 | P | 35.6 | Very low | 29.7 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | -121.5 | 144.4 | 118.4 | -1.3 | 22.5 | 0 | 0 | 0 | 111 | |||||
| 503 | R | 31.6 | Very low | 29.7 | Very low | 250 Ų | 250 | 138.2 Ų | 138.2 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | 71.5 | 122.5 | 51.6 | -161.6 | -169.8 | -156.6 | -159.9 | 7.3 | 111.3 | |||||
| 504 | G | 25 | Very low | 29.5 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | cis | 167 | -166.6 | -1.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 505 | L | 28.9 | Very low | 28.8 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 96% | 0.958 | 83% | 0.829 | S | S | * | * | trans | 169.8 | 156 | 140 | -93.8 | 167.4 | 0 | 0 | 0 | 113.4 | ||||
| 506 | S | 23.9 | Very low | 29.3 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -162 | 144.1 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 507 | P | 41 | Very low | 29.9 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -146.3 | 167.9 | 132.1 | 39.1 | -24.8 | 0 | 0 | 0 | 112.5 | ||||
| 508 | E | 29.4 | Very low | 30.1 | Very low | 198 Ų | 198 | 132.9 Ų | 132.9 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | cis | -163.2 | 177.5 | -15.5 | -115.1 | -172.9 | 82.8 | 0 | 0 | 109.2 | ||||
| 509 | G | 25.9 | Very low | 30.2 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 147 | 126.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 510 | L | 26.7 | Very low | 30.3 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -151.6 | 175.2 | 179.2 | -78.8 | 177.3 | 0 | 0 | 0 | 109.3 | ||||
| 511 | P | 42.6 | Very low | 30.3 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | cis | -128.1 | 178.4 | -14.8 | 29.3 | -8.1 | 0 | 0 | 0 | 113.9 | ||||
| 512 | G | 24.8 | Very low | 30.6 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -174.5 | 54.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 513 | R | 25.5 | Very low | 30.4 | Very low | 238 Ų | 238 | 144.4 Ų | 144.4 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | 7.8 | 136.3 | 158.6 | -148.9 | -170.8 | -172.5 | -166.5 | 0.8 | 122.8 | ||||
| 514 | S | 24.9 | Very low | 30.8 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 73.2 | 131.8 | 146.7 | 46.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 515 | S | 26.2 | Very low | 31.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -109.6 | -175.1 | 157.4 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 516 | P | 42.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | cis | -126.6 | -153.3 | 2 | 47 | -29.7 | 0 | 0 | 0 | 111.2 | ||||
| 517 | P | 39.4 | Very low | 32.8 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -128.7 | -157.3 | -9 | 42.7 | -23.4 | 0 | 0 | 0 | 114.8 | ||||
| 518 | E | 29.5 | Very low | 32.9 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -59.1 | 150.9 | -168.7 | -52.3 | 163.5 | 116.2 | 0 | 0 | 117.5 | ||||
| 519 | Q | 28.6 | Very low | 33.5 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -174.8 | 125.5 | 122.4 | -100.8 | -177.7 | 1.5 | 0 | 0 | 115 | |||||
| 520 | I | 29.6 | Very low | 34.2 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 68% | 0.677 | 77% | 0.766 | S | S | * | * | trans | 60.2 | 108 | 130.8 | -58.2 | 173.7 | 0 | 0 | 0 | 121.2 | ||||
| 521 | F | 27.3 | Very low | 34.9 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 64.2 | 127.6 | 147.1 | -73.3 | -50.9 | 0 | 0 | 0 | 125.6 | ||||
| 522 | H | 32.8 | Very low | 34.6 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | 61.8 | 126.3 | 146.2 | -59.6 | -51.6 | 0 | 0 | 0 | 122 | ||||
| 523 | L | 32.7 | Very low | 35 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | -161.6 | 162.2 | 114.1 | -106.6 | 165 | 0 | 0 | 0 | 111.4 | |||||
| 524 | V | 39.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -115.4 | 141.2 | 178.5 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 525 | P | 38.5 | Very low | 36.2 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | trans | -59.9 | 153.5 | 176.4 | -24.1 | 35 | 0 | 0 | 0 | 113.5 | ||||
| 526 | S | 37.6 | Very low | 36.3 | Very low | 66 Ų | 66 | 140.9 Ų | 140.9 | 46% | 0.462 | 75% | 0.745 | S | S | . | * | trans | -85.5 | 163.6 | -175.9 | 79.4 | 0 | 0 | 0 | 0 | 112.8 | E528 | S526-E528 PolarHBondContact O-N 3.12Å; S526-E528 VanDerWaalsContact O-N 3.12Å | ||
| 527 | P | 44.6 | Very low | 35.6 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -8.8 | -175.3 | -21.6 | 34.8 | 0 | 0 | 0 | 115.9 | ||
| 528 | E | 42.6 | Very low | 35.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -24.9 | -166.6 | -62.8 | 179.7 | -176.8 | 0 | 0 | 113.2 | S526 L530 A531 | S526-E528 PolarHBondContact O-N 3.12Å; S526-E528 VanDerWaalsContact O-N 3.12Å; E528-L530 VanDerWaalsContact C-N 3.27Å; E528-L530 PolarHBondContact O-N 3.2Å; E528-A531 PolarHBondContact O-N 3.23Å |
| 529 | E | 41.8 | Very low | 35.2 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -71.1 | -21 | -178 | -60.4 | -174.3 | 130.1 | 0 | 0 | 113.1 | A531 | E529-A531 VanDerWaalsContact C-N 3.33Å; E529-A531 PolarHBondContact O-N 2.96Å |
| 530 | L | 41.7 | Very low | 35.2 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -76.8 | -13 | 178.4 | -98.4 | 164.5 | 0 | 0 | 0 | 114.3 | E528 | E528-L530 VanDerWaalsContact C-N 3.27Å; E528-L530 PolarHBondContact O-N 3.2Å |
| 531 | A | 39.8 | Very low | 36 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 57% | 0.57 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -84.9 | -18.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E528 E529 | E528-A531 PolarHBondContact O-N 3.23Å; E529-A531 VanDerWaalsContact C-N 3.33Å; E529-A531 PolarHBondContact O-N 2.96Å |
| 532 | N | 36.6 | Very low | 36 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -96.8 | -4.3 | -161.9 | -77.4 | -39.6 | 0 | 0 | 0 | 116.6 | ||
| 533 | S | 33.8 | Very low | 35.9 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -99 | 14.3 | -174.5 | -62 | 0 | 0 | 0 | 0 | 115.6 | ||
| 534 | L | 39 | Very low | 35.7 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -133 | 65 | 178.9 | -74.6 | 174.7 | 0 | 0 | 0 | 112.8 | ||
| 535 | R | 35.7 | Very low | 35.3 | Very low | 207 Ų | 207 | 140.3 Ų | 140.3 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -167 | 149.6 | 159.8 | 33.9 | -149.1 | 62.8 | -177 | -5.6 | 111.4 | ||||
| 536 | H | 29.1 | Very low | 35 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | 74.4 | 125.1 | -149.7 | -50.6 | 89.8 | 0 | 0 | 0 | 111.6 | ||||
| 537 | L | 27.6 | Very low | 34.6 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | cis | -127.5 | 133.2 | 15.5 | -67.9 | 161.9 | 0 | 0 | 0 | 112.6 | ||||
| 538 | E | 28.7 | Very low | 33.9 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -159.9 | 144.4 | 159.5 | -172.5 | 170 | -135.7 | 0 | 0 | 110 | ||||
| 539 | P | 32.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -139.9 | 100.1 | 151.9 | 32.9 | -14.4 | 0 | 0 | 0 | 113.8 | ||||
| 540 | E | 28.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | 27.5 | 156.6 | 115.6 | -83.7 | -70.1 | 82.9 | 0 | 0 | 121.5 | |||||
| 541 | P | 46 | Very low | 32.8 | Very low | 89 Ų | 89 | 154.8 Ų | 154.8 | 58% | 0.578 | 79% | 0.793 | S | S | * | * | -132.4 | -172.7 | -115.2 | 45 | -29.2 | 0 | 0 | 0 | 114.6 | |||||
| 542 | V | 27.5 | Very low | 32.5 | Very low | 146 Ų | 146 | 160.2 Ų | 160.2 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -134.5 | 138.3 | 166.6 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 543 | N | 29.8 | Very low | 32.2 | Very low | 141 Ų | 141 | 160.3 Ų | 160.3 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -84.5 | 144.3 | -178.8 | -79.8 | -101.3 | 0 | 0 | 0 | 113.3 | ||||
| 544 | R | 29.7 | Very low | 32.1 | Very low | 251 Ų | 251 | 160.2 Ų | 160.2 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | -177.4 | 156.5 | 112.8 | -103.6 | 173.5 | 172.5 | 155.2 | 0.1 | 113.9 | |||||
| 545 | A | 29.7 | Very low | 31.7 | Very low | 95 Ų | 95 | 158 Ų | 158 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -97.9 | 154.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 546 | R | 32.9 | Very low | 31.5 | Very low | 233 Ų | 233 | 153.8 Ų | 153.8 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | -168.6 | 172.1 | 120.2 | -118.4 | -164.7 | 161.8 | 136.2 | 1.8 | 115 | |||||
| 547 | D | 28.7 | Very low | 31.8 | Very low | 131 Ų | 131 | 157 Ų | 157 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -63.5 | 150.2 | -171.9 | -34.6 | -72.2 | 0 | 0 | 0 | 115.4 | ||||
| 548 | S | 30.2 | Very low | 32 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -165.9 | 115.5 | 144 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 549 | D | 33.1 | Very low | 32.4 | Very low | 153 Ų | 153 | 153.3 Ų | 153.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -77.9 | 151.9 | 165.8 | -58 | -71.7 | 0 | 0 | 0 | 112.1 | ||||
| 550 | Y | 34.4 | Very low | 32.7 | Very low | 233 Ų | 233 | 155.9 Ų | 155.9 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -163.5 | 122.7 | 146.3 | -126.6 | -84.4 | 0 | 0 | 0 | 111.6 | ||||
| 551 | E | 35.9 | Very low | 33.1 | Very low | 182 Ų | 182 | 158.1 Ų | 158.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -84.8 | 152.4 | 165.7 | -66.9 | -179.4 | 98.6 | 0 | 0 | 110.9 | ||||
| 552 | M | 33.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 158.7 Ų | 158.7 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | 176.6 | 146.2 | 112.5 | -167.1 | 161.5 | -165.9 | 0 | 0 | 112.8 | |||||
| 553 | D | 29.5 | Very low | 33.1 | Very low | 138 Ų | 138 | 158.7 Ų | 158.7 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | -50.7 | 153.9 | 171.8 | -76.3 | -71.3 | 0 | 0 | 0 | 115.5 | ||||
| 554 | S | 32.7 | Very low | 33.6 | Very low | 109 Ų | 109 | 157.8 Ų | 157.8 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | -176.4 | 145 | 67.1 | 37.5 | 0 | 0 | 0 | 0 | 117 | |||||
| 555 | S | 30.9 | Very low | 33.8 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 21.5 | 121.6 | 147.6 | -51 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 556 | S | 31.3 | Very low | 34.4 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | 173.4 | 120.7 | 91.5 | 44.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 557 | R | 34.2 | Very low | 34.4 | Very low | 255 Ų | 255 | 155.2 Ų | 155.2 | 96% | 0.962 | 80% | 0.801 | S | S | * | * | trans | -144.2 | 120.9 | 160.5 | -100 | -172.4 | 175.2 | -179.2 | -1.3 | 111.1 | H559 | R557-H559 PolarHBondContact O-N 3.14Š| ||
| 558 | S | 33.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -87.5 | 105.4 | -176.8 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 559 | H | 37.1 | Very low | 35.4 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 65% | 0.648 | 80% | 0.804 | S | S | * | * | 43.2 | 109.8 | 127.5 | -164.7 | -104.1 | 0 | 0 | 0 | 119.2 | R557 | R557-H559 PolarHBondContact O-N 3.14Š| |||
| 560 | L | 37.8 | Very low | 35.8 | Very low | 176 Ų | 176 | 160.1 Ų | 160.1 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -148.3 | 145.9 | 140.4 | -105.9 | 170.2 | 0 | 0 | 0 | 108.9 | ||||
| 561 | R | 36.8 | Very low | 35.9 | Very low | 202 Ų | 202 | 156.5 Ų | 156.5 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | -96.8 | 140.4 | -164.3 | -64.3 | -179.5 | -179.5 | -178.9 | -3.4 | 113.5 | ||||
| 562 | A | 33.5 | Very low | 35.9 | Very low | 100 Ų | 100 | 155.1 Ų | 155.1 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -85.4 | 154.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 563 | I | 40.9 | Very low | 36 | Very low | 146 Ų | 146 | 153.5 Ų | 153.5 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | -106.2 | 112.5 | -177 | -58.5 | 174.6 | 0 | 0 | 0 | 109.1 | ||||
| 564 | D | 39.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 66% | 0.658 | 82% | 0.823 | S | S | * | * | trans | -75.3 | 143.7 | 160.5 | -179.7 | 43.6 | 0 | 0 | 0 | 109.8 | Q566 | D564-Q566 WeakPolarHBondContact OD2-CG 3.47Å; D564-Q566 PolarHBondContact OD2-NE2 3.22Å | ||
| 565 | N | 34.6 | Very low | 36.6 | Very low | 139 Ų | 139 | 157.3 Ų | 157.3 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | -132.9 | 94.2 | -177.5 | -99.3 | -22.1 | 0 | 0 | 0 | 110 | Y567 | N565-Y567 PolarHBondContact O-N 3.46Š| ||
| 566 | Q | 42.4 | Very low | 37 | Very low | 159 Ų | 159 | 160.6 Ų | 160.6 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | trans | -76.3 | 98.2 | 178.3 | -61.7 | 170.4 | 8.4 | 0 | 0 | 110.8 | D564 | D564-Q566 WeakPolarHBondContact OD2-CG 3.47Å; D564-Q566 PolarHBondContact OD2-NE2 3.22Å | ||
| 567 | Y | 31.7 | Very low | 37.4 | Very low | 226 Ų | 226 | 163.6 Ų | 163.6 | 89% | 0.886 | 83% | 0.832 | S | S | * | * | trans | -150.2 | 85.6 | 159.8 | -91.3 | -65.2 | 0 | 0 | 0 | 111.4 | N565 | N565-Y567 PolarHBondContact O-N 3.46Š| ||
| 568 | T | 33.3 | Very low | 37.7 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | -120.8 | 112.3 | 164 | -51.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 569 | P | 48.3 | Very low | 38 | Very low | 115 Ų | 115 | 159.6 Ų | 159.6 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -70 | 148 | 163.9 | 31.3 | -32.4 | 0 | 0 | 0 | 109.6 | ||||
| 570 | L | 40.7 | Very low | 38.1 | Very low | 254 Ų | 254 | 161.4 Ų | 161.4 | 100% | 1.33 | 84% | 0.836 | S | S | * | * | trans | -72.3 | 0 | 172.1 | -67.5 | 166.3 | 0 | 0 | 0 | 111.3 |
Retrieved 570 of 570 residues in 185.6 ms
(Link to these results)