| 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 | N | 39.5 | Very low | 37.7 | Very low | 222 Ų | 222 | 162 Ų | 162 | 100% | 1.187 | 83% | 0.825 | S | S | * | * | 0 | 102.5 | 0 | -79.9 | -15.4 | 0 | 0 | 0 | 110.1 | |||||
| 2 | M | 34.5 | Very low | 37.7 | Very low | 170 Ų | 170 | 156 Ų | 156 | 84% | 0.837 | 82% | 0.818 | S | S | * | * | trans | -68.9 | 130.6 | -175.9 | -168.4 | 160.5 | 63.5 | 0 | 0 | 110.3 | ||||
| 3 | K | 35.1 | Very low | 38 | Very low | 205 Ų | 205 | 152.2 Ų | 152.2 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -117.4 | 96 | 160.6 | -83.5 | -171 | 175.4 | -177 | 0 | 107.7 | ||||
| 4 | L | 37 | Very low | 38.3 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | trans | -77.6 | 111.2 | 173.5 | -164.2 | 78 | 0 | 0 | 0 | 107.6 | L6 | L4-L6 HydrophobicContact CD2-CD1 4.32Å; L4-L6 HydrophobicContact CD2-CG 4.4Å | ||
| 5 | L | 39.4 | Very low | 38.8 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -87.8 | 101.1 | 168.4 | -94.8 | 148.4 | 0 | 0 | 0 | 107.5 | F7 | L5-F7 PolarHBondContact O-N 2.63Š| ||
| 6 | L | 37.5 | Very low | 39.9 | Very low | 131 Ų | 131 | 143 Ų | 143 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 104.8 | 170.4 | -91.5 | 147 | 0 | 0 | 0 | 108.8 | L4 F8 | L4-L6 HydrophobicContact CD2-CD1 4.32Å; L4-L6 HydrophobicContact CD2-CG 4.4Å; L6-F8 PolarHBondContact O-N 2.99Å | ||
| 7 | F | 37.9 | Very low | 41.9 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 103.2 | 161.8 | -101.7 | -92.2 | 0 | 0 | 0 | 108.1 | L5 G9 | L5-F7 PolarHBondContact O-N 2.63Å; F7-G9 PolarHBondContact O-N 2.96Å | ||
| 8 | F | 39.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -74.2 | 100.8 | 162 | -95.1 | -89.5 | 0 | 0 | 0 | 108 | L6 F10 | L6-F8 PolarHBondContact O-N 2.99Å; F8-F10 PolarHBondContact O-N 3.49Å | ||
| 9 | G | 35.5 | Very low | 46.7 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -69.6 | 104.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | F7 V11 | F7-G9 PolarHBondContact O-N 2.96Å; G9-V11 PolarHBondContact O-N 3.32Å; G9-V11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | F | 38.3 | Very low | 49 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 87% | 0.873 | 74% | 0.741 | S | S | * | * | trans | -70.6 | 97.3 | 161.3 | -92.2 | -88.6 | 0 | 0 | 0 | 107.7 | F8 A12 | F8-F10 PolarHBondContact O-N 3.49Å; F10-A12 VanDerWaalsContact C-N 3.26Å; F10-A12 PolarHBondContact O-N 3.33Å; F10-A12 VanDerWaalsContact O-N 3.07Å | ||
| 11 | V | 40.3 | Very low | 51.2 | Low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | trans | -73.1 | 92.7 | 159.4 | 179.7 | 0 | 0 | 0 | 0 | 105.7 | G9 V13 | G9-V11 PolarHBondContact O-N 3.32Å; G9-V11 VanDerWaalsContact O-N 3.09Å; V11-V13 VanDerWaalsContact C-N 3.29Å; V11-V13 HydrophobicContact CG1-CG2 4.11Å; V11-V13 PolarHBondContact O-N 3.11Å | ||
| 12 | A | 38.1 | Very low | 53.8 | Low | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | trans | -67.3 | 97.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | F10 A14 | F10-A12 VanDerWaalsContact C-N 3.26Å; F10-A12 PolarHBondContact O-N 3.33Å; F10-A12 VanDerWaalsContact O-N 3.07Å; A12-A14 PolarHBondContact O-N 2.67Å | ||
| 13 | V | 41.8 | Very low | 56.7 | Low | 106 Ų | 106 | 122 Ų | 122 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | trans | -66 | 98.1 | 160.3 | 179.9 | 0 | 0 | 0 | 0 | 104.5 | V11 L15 | V11-V13 VanDerWaalsContact C-N 3.29Å; V11-V13 HydrophobicContact CG1-CG2 4.11Å; V11-V13 PolarHBondContact O-N 3.11Å; V13-L15 HydrophobicContact CG1-CD2 4.12Å; V13-L15 HydrophobicContact CG1-CG 4.24Å; V13-L15 PolarHBondContact O-N 2.83Å | ||
| 14 | A | 41.7 | Very low | 59.7 | Low | 93 Ų | 93 | 112.9 Ų | 112.9 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | trans | -63.5 | 92.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | A12 A16 | A12-A14 PolarHBondContact O-N 2.67Å; A14-A16 VanDerWaalsContact C-N 3.29Å; A14-A16 PolarHBondContact O-N 2.83Å | ||
| 15 | L | 46.6 | Very low | 62.5 | Low | 154 Ų | 154 | 108.1 Ų | 108.1 | 81% | 0.806 | 60% | 0.597 | S | S | * | * | trans | -60.8 | 103.9 | 163.2 | -70.5 | 168.2 | 0 | 0 | 0 | 104.4 | V13 E17 | V13-L15 HydrophobicContact CG1-CD2 4.12Å; V13-L15 HydrophobicContact CG1-CG 4.24Å; V13-L15 PolarHBondContact O-N 2.83Å; L15-E17 PolarHBondContact O-N 3.04Å; L15-E17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | A | 56.6 | Low | 65.3 | Low | 63 Ų | 63 | 100.6 Ų | 100.6 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 119.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | A14 V18 N229 | A14-A16 VanDerWaalsContact C-N 3.29Å; A14-A16 PolarHBondContact O-N 2.83Å; A16-V18 PolarHBondContact O-N 3.28Å; A16-N229 WeakPolarHBondContact CB-ND2 3.28Å |
| 17 | E | 72.8 | Confident | 68.2 | Low | 181 Ų | 181 | 94.3 Ų | 94.3 | 85% | 0.846 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 130.1 | -176.2 | -158.4 | 166.6 | -169.2 | 0 | 0 | 108.5 | L15 T19 | L15-E17 PolarHBondContact O-N 3.04Å; L15-E17 VanDerWaalsContact O-N 3.11Å; E17-T19 PolarHBondContact O-N 3.11Å |
| 18 | V | 85.9 | Confident | 71.1 | Confident | 81 Ų | 81 | 86.1 Ų | 86.1 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 124.9 | 175.1 | 178.6 | 0 | 0 | 0 | 0 | 107 | A16 R20 | A16-V18 PolarHBondContact O-N 3.28Å; V18-R20 PolarHBondContact O-N 3.41Å |
| 19 | T | 89.6 | Confident | 73.9 | Confident | 56 Ų | 56 | 77.9 Ų | 77.9 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 126 | 176.7 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | E17 F21 N229 | E17-T19 PolarHBondContact O-N 3.11Å; T19-F21 HydrophobicContact CG2-CD1 4.21Å; T19-F21 HydrophobicContact CG2-CE1 3.61Å; T19-F21 HydrophobicContact CG2-CE2 4.36Å; T19-F21 HydrophobicContact CG2-CZ 3.69Å; T19-N229 WeakPolarHBondContact CB-O 3.36Å; T19-N229 PolarHBondContact N-O 3.18Å; T19-N229 PolarHBondContact OG1-O 3.4Å |
| 20 | R | 92.5 | Very high | 76.8 | Confident | 157 Ų | 157 | 78.3 Ų | 78.3 | 59% | 0.592 | 44% | 0.435 | S | S | * | . | trans | -109.6 | 148.3 | 172.4 | -67.1 | -64.2 | -169.6 | 169.2 | 1.5 | 109.1 | V18 | V18-R20 PolarHBondContact O-N 3.41Š| ||
| 21 | F | 94.5 | Very high | 79.6 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.035 | 39% | 0.393 | C | S | . | . | trans | -121.7 | 29.1 | -173.2 | -51.6 | -81.7 | 0 | 0 | 0 | 112.5 | T19 G23 D24 H69 F96 Q97 V100 R231 M232 | T19-F21 HydrophobicContact CG2-CD1 4.21Å; T19-F21 HydrophobicContact CG2-CE1 3.61Å; T19-F21 HydrophobicContact CG2-CE2 4.36Å; T19-F21 HydrophobicContact CG2-CZ 3.69Å; F21-G23 PolarHBondContact O-N 3.42Å; F21-G23 VanDerWaalsContact O-N 3.14Å; F21-D24 HydrophobicContact CB-CB 4.09Å; F21-D24 WeakPolarHBondContact CD1-OD2 3.36Å; F21-D24 WeakPolarHBondContact O-CB 3.49Å; F21-D24 PolarHBondContact O-N 2.83Å; F21-H69 AromaticContact CD1-CE1 3.76Å; F21-H69 AromaticContact CD1-NE2 3.95Å; F21-H69 AromaticContact CE1-CE1 3.99Å; F21-F96 HydrophobicContact CB-CB 4.37Å; F21-F96 HydrophobicContact CB-CD1 3.51Å; F21-F96 HydrophobicContact CB-CE1 4.23Å; F21-F96 HydrophobicContact CB-CG 4.36Å; F21-F96 AromaticContact CD1-CD1 3.69Å; F21-F96 HydrophobicContact CD1-CD1 3.69Å; F21-F96 AromaticContact CD1-CE1 3.65Å; F21-F96 HydrophobicContact CD1-CE1 3.65Å; F21-F96 HydrophobicContact CD2-CD1 4.24Å; F21-F96 HydrophobicContact CD2-CE1 4.16Å; F21-F96 HydrophobicContact CE1-CD1 4.45Å; F21-F96 AromaticContact CE1-CE1 3.96Å; F21-F96 HydrophobicContact CE1-CE1 3.96Å; F21-F96 HydrophobicContact CE2-CE1 4.45Å; F21-F96 AromaticContact CG-CD1 3.55Å; F21-F96 HydrophobicContact CG-CD1 3.55Å; F21-F96 AromaticContact CG-CE1 3.75Å; F21-F96 HydrophobicContact CG-CE1 3.75Å; F21-F96 HydrophobicContact CZ-CE1 4.36Å; F21-Q97 HydrophobicContact CB-CB 4.36Å; F21-V100 HydrophobicContact CD2-CG2 4.07Å; F21-V100 HydrophobicContact CE2-CG2 4.31Å; F21-R231 HydrophobicContact CE2-CB 4.04Å; F21-R231 HydrophobicContact CZ-CB 4.26Å; F21-M232 HydrophobicContact CE1-CG 4.14Å; F21-M232 HydrophobicContact CZ-CG 4.16Å | ||
| 22 | E | 95.9 | Very high | 82.4 | Confident | 145 Ų | 145 | 66.8 Ų | 66.8 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 118.9 | -177.7 | -68.8 | -179.6 | -175.7 | 0 | 0 | 110.6 | D24 Q97 | E22-D24 VanDerWaalsContact C-N 3.26Å; E22-D24 PolarHBondContact O-N 3.16Å; E22-Q97 HydrophobicContact CG-CB 4.42Å; E22-Q97 HydrophobicContact CG-CG 4.19Å |
| 23 | G | 94.3 | Very high | 85.2 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 38% | 0.381 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -1.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | F21 L75 | F21-G23 PolarHBondContact O-N 3.42Å; F21-G23 VanDerWaalsContact O-N 3.14Å; G23-L75 VanDerWaalsContact O-CD1 3.27Å; G23-L75 WeakPolarHBondContact O-CD1 3.27Å |
| 24 | D | 97.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 68 Ų | 68 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | trans | -68.3 | 154.1 | 172.7 | -69.6 | 6.2 | 0 | 0 | 0 | 110.8 | F21 E22 H69 V70 P71 A72 F96 | F21-D24 HydrophobicContact CB-CB 4.09Å; F21-D24 WeakPolarHBondContact CD1-OD2 3.36Å; F21-D24 WeakPolarHBondContact O-CB 3.49Å; F21-D24 PolarHBondContact O-N 2.83Å; E22-D24 VanDerWaalsContact C-N 3.26Å; E22-D24 PolarHBondContact O-N 3.16Å; D24-H69 WeakPolarHBondContact CB-NE2 3.36Å; D24-H69 IonicContact OD2-CD2 3.44Å; D24-H69 IonicContact OD2-CE1 3.27Å; D24-H69 PolarHBondContact OD2-CE1 3.31Å; D24-H69 IonicContact OD2-NE2 2.79Å; D24-H69 PolarHBondContact OD2-NE2 3.5Å; D24-V70 WeakPolarHBondContact CA-O 3.32Å; D24-P71 VanDerWaalsContact OD1-CA 3.29Å; D24-P71 WeakPolarHBondContact OD1-CA 3.4Å; D24-A72 PolarHBondContact OD1-N 3.04Å; D24-F96 HydrophobicContact CB-CB 3.86Å; D24-F96 HydrophobicContact CB-CD1 4.23Å; D24-F96 HydrophobicContact CB-CG 4.44Å; D24-F96 WeakPolarHBondContact O-CB 3.33Å; D24-F96 PolarHBondContact O-N 2.55Å; D24-F96 VanDerWaalsContact O-N 3.09Å | ||
| 25 | K | 97.8 | Very high | 90.5 | Very high | 35 Ų | 35 | 66.8 Ų | 66.8 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.7 | -178.9 | -58.8 | -166.1 | 177.3 | -153.9 | 0 | 112.4 | F27 H69 V70 L75 I91 I93 D94 | K25-F27 HydrophobicContact CB-CD2 4.28Å; K25-F27 HydrophobicContact CB-CE2 3.72Å; K25-F27 HydrophobicContact CB-CZ 4.36Å; K25-F27 HydrophobicContact CD-CZ 4.48Å; K25-H69 WeakPolarHBondContact O-CA 3.23Å; K25-V70 PolarHBondContact N-O 3.43Å; K25-V70 VanDerWaalsContact N-O 3.12Å; K25-V70 PolarHBondContact O-N 3.21Å; K25-L75 HydrophobicContact CB-CD2 4.04Å; K25-L75 HydrophobicContact CD-CD1 4.21Å; K25-L75 HydrophobicContact CD-CD2 4.12Å; K25-L75 HydrophobicContact CG-CD1 4.15Å; K25-L75 HydrophobicContact CG-CD2 4.02Å; K25-I91 HydrophobicContact CD-CG2 4.45Å; K25-I93 VanDerWaalsContact CA-O 3.31Å; K25-I93 WeakPolarHBondContact CA-O 3.45Å; K25-I93 WeakPolarHBondContact CB-O 3.45Å; K25-D94 WeakPolarHBondContact CE-O 3.47Å; K25-D94 WeakPolarHBondContact CG-O 3.42Å; K25-D94 IonicContact NZ-OD1 3.67Å; K25-D94 PolarHBondContact NZ-OD1 2.83Å |
| 26 | V | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.1 | 168.4 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | W52 I68 H69 L92 I93 F96 | V26-W52 HydrophobicContact CG1-CD2 4.39Å; V26-W52 HydrophobicContact CG1-CE3 4.13Å; V26-W52 HydrophobicContact CG1-CZ3 4.37Å; V26-W52 HydrophobicContact CG2-CH2 4.05Å; V26-W52 HydrophobicContact CG2-CZ2 4.03Å; V26-W52 HydrophobicContact CG2-CZ3 4.34Å; V26-I68 CarbonylContact C-O 3.59Å; V26-I68 VanDerWaalsContact CA-O 3.31Å; V26-I68 WeakPolarHBondContact CA-O 3.36Å; V26-H69 HydrophobicContact CG2-CB 4.15Å; V26-L92 HydrophobicContact CB-CB 4.41Å; V26-L92 HydrophobicContact CG1-CB 4.25Å; V26-L92 HydrophobicContact CG1-CD1 4.12Å; V26-L92 PolarHBondContact O-N 2.86Å; V26-I93 HydrophobicContact CB-CB 3.94Å; V26-I93 HydrophobicContact CB-CD1 4.27Å; V26-I93 HydrophobicContact CB-CG1 4.09Å; V26-I93 HydrophobicContact CG2-CB 4.06Å; V26-I93 HydrophobicContact CG2-CD1 3.94Å; V26-I93 HydrophobicContact CG2-CG1 4.23Å; V26-I93 PolarHBondContact N-O 3.46Å; V26-I93 PolarHBondContact O-N 2.95Å; V26-F96 HydrophobicContact CG2-CD2 3.74Å; V26-F96 HydrophobicContact CG2-CE2 3.91Å |
| 27 | F | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 146.1 | 178.3 | -66.1 | -103.5 | 0 | 0 | 0 | 110.2 | K25 L29 D67 I68 V70 L75 Y79 Y89 E90 I91 | K25-F27 HydrophobicContact CB-CD2 4.28Å; K25-F27 HydrophobicContact CB-CE2 3.72Å; K25-F27 HydrophobicContact CB-CZ 4.36Å; K25-F27 HydrophobicContact CD-CZ 4.48Å; F27-L29 HydrophobicContact CB-CD2 3.9Å; F27-D67 CarbonylContact O-C 3.44Å; F27-D67 VanDerWaalsContact O-CA 3.22Å; F27-D67 WeakPolarHBondContact O-CA 3.41Å; F27-I68 HydrophobicContact CB-CG1 4.01Å; F27-I68 PolarHBondContact N-O 3.4Å; F27-I68 PolarHBondContact O-N 2.91Å; F27-V70 HydrophobicContact CD2-CB 4.14Å; F27-V70 HydrophobicContact CD2-CG2 3.56Å; F27-V70 HydrophobicContact CE2-CB 3.93Å; F27-V70 HydrophobicContact CE2-CG2 3.79Å; F27-L75 HydrophobicContact CE2-CD2 3.62Å; F27-L75 HydrophobicContact CZ-CD2 3.82Å; F27-Y79 HydrophobicContact CE1-CD1 4.35Å; F27-Y79 AromaticContact CE1-CE1 3.68Å; F27-Y79 HydrophobicContact CE1-CE1 3.68Å; F27-Y79 AromaticContact CE1-CZ 3.95Å; F27-Y79 AromaticContact CZ-CE1 3.96Å; F27-Y79 HydrophobicContact CZ-CE1 3.96Å; F27-Y79 HydrophobicContact CZ-CE2 4.31Å; F27-Y79 AromaticContact CZ-CZ 3.77Å; F27-Y89 AromaticContact CD1-CD2 3.65Å; F27-Y89 HydrophobicContact CD1-CD2 3.65Å; F27-Y89 HydrophobicContact CD1-CE2 4.14Å; F27-Y89 HydrophobicContact CD1-CG 4.26Å; F27-Y89 AromaticContact CE1-CD2 3.96Å; F27-Y89 HydrophobicContact CE1-CD2 3.96Å; F27-Y89 AromaticContact CE1-CE2 3.96Å; F27-Y89 HydrophobicContact CE1-CE2 3.96Å; F27-E90 CarbonylContact C-O 3.51Å; F27-E90 VanDerWaalsContact CA-O 3.32Å; F27-E90 WeakPolarHBondContact CA-O 3.43Å; F27-I91 HydrophobicContact CD1-CG1 4.24Å; F27-I91 HydrophobicContact CE1-CG1 4.04Å |
| 28 | R | 98.2 | Very high | 96 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.3 | 161.1 | 174.5 | 165.2 | -71.6 | 171.3 | -1.8 | 109.6 | K30 D65 V66 D67 Y89 E90 L92 T382 | R28-K30 HydrophobicContact CG-CD 4.45Å; R28-D65 WeakPolarHBondContact CD-OD2 2.92Å; R28-D65 HydrophobicContact CG-CB 4.34Å; R28-D65 IonicContact CZ-OD2 3.76Å; R28-D65 IonicContact NE-OD2 2.9Å; R28-D65 IonicContact NH1-OD2 2.73Å; R28-V66 CarbonylContact C-O 3.56Å; R28-V66 WeakPolarHBondContact CA-O 3.37Å; R28-D67 WeakPolarHBondContact CB-OD1 3.49Å; R28-D67 WeakPolarHBondContact CG-OD1 3.48Å; R28-D67 IonicContact CZ-OD1 3.56Å; R28-D67 IonicContact CZ-OD2 2.8Å; R28-D67 IonicContact NE-OD1 2.73Å; R28-D67 PolarHBondContact NE-OD1 3.45Å; R28-D67 IonicContact NE-OD2 3.6Å; R28-D67 IonicContact NH2-OD1 2.76Å; R28-D67 PolarHBondContact NH2-OD1 3.26Å; R28-D67 IonicContact NH2-OD2 3.93Å; R28-D67 PolarHBondContact NH2-OD2 2.9Å; R28-Y89 CarbonylContact O-C 3.59Å; R28-Y89 WeakPolarHBondContact O-CA 3.45Å; R28-E90 HydrophobicContact CB-CB 4.38Å; R28-E90 PolarHBondContact N-O 2.88Å; R28-E90 PolarHBondContact O-N 3.47Å; R28-L92 HydrophobicContact CB-CD1 3.74Å; R28-L92 HydrophobicContact CB-CD2 4.01Å; R28-L92 HydrophobicContact CB-CG 3.77Å; R28-T382 PolarHBondContact NH1-O 3.14Å; R28-T382 PolarHBondContact NH2-O 3.04Å |
| 29 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 147.8 | 176.9 | -39 | -179.9 | 0 | 0 | 0 | 110.4 | F27 P31 I40 V66 I68 L82 V87 | F27-L29 HydrophobicContact CB-CD2 3.9Å; L29-P31 WeakPolarHBondContact O-CD 3.37Å; L29-I40 HydrophobicContact CB-CD1 4.2Å; L29-I40 HydrophobicContact CD1-CD1 3.78Å; L29-I40 HydrophobicContact CD1-CG1 3.78Å; L29-I40 HydrophobicContact CD1-CG2 4.29Å; L29-V66 HydrophobicContact CB-CB 4.12Å; L29-V66 HydrophobicContact CD1-CG1 4.41Å; L29-V66 PolarHBondContact N-O 2.98Å; L29-V66 PolarHBondContact O-N 3.42Å; L29-V66 VanDerWaalsContact O-N 3.1Å; L29-I68 HydrophobicContact CD1-CD1 3.8Å; L29-I68 HydrophobicContact CD1-CG1 4.33Å; L29-I68 HydrophobicContact CD2-CD1 4.44Å; L29-I68 HydrophobicContact CG-CD1 4.3Å; L29-I68 HydrophobicContact CG-CG1 4.38Å; L29-L82 HydrophobicContact CD1-CD2 4.07Å; L29-L82 HydrophobicContact CD2-CD1 3.62Å; L29-L82 HydrophobicContact CD2-CD2 3.99Å; L29-L82 HydrophobicContact CD2-CG 4.49Å; L29-V87 HydrophobicContact CB-CG1 4.22Å |
| 30 | K | 97.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 77.7 | 179.7 | -58.2 | -67.3 | -172 | 169.3 | 0 | 110.3 | R28 T32 D65 A88 | R28-K30 HydrophobicContact CG-CD 4.45Å; K30-T32 PolarHBondContact O-N 3.35Å; K30-D65 VanDerWaalsContact CD-OD1 3.31Å; K30-D65 WeakPolarHBondContact CD-OD1 3.17Å; K30-D65 WeakPolarHBondContact CE-OD1 3.5Å; K30-D65 IonicContact NZ-OD1 2.65Å; K30-D65 PolarHBondContact NZ-OD1 3.46Å; K30-D65 IonicContact NZ-OD2 3.69Å; K30-D65 PolarHBondContact NZ-OD2 3.07Å; K30-A88 HydrophobicContact CB-CB 4.25Å; K30-A88 PolarHBondContact N-O 3.15Å |
| 31 | P | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -68.3 | 117.7 | 175.8 | 28.1 | -34.8 | 0 | 0 | 0 | 111.2 | L29 H36 V37 I40 V60 T61 I62 D63 I64 V66 | L29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-H36 HydrophobicContact CB-CB 3.82Å; P31-V37 HydrophobicContact CB-CG2 4.08Å; P31-I40 HydrophobicContact CB-CD1 4.02Å; P31-I40 HydrophobicContact CG-CD1 4.25Å; P31-V60 HydrophobicContact CG-CG1 4.38Å; P31-T61 VanDerWaalsContact CG-O 3.28Å; P31-T61 WeakPolarHBondContact CG-O 3.11Å; P31-I62 CarbonylContact O-C 3.52Å; P31-I62 WeakPolarHBondContact O-CA 3.06Å; P31-D63 PolarHBondContact O-N 3.28Å; P31-I64 WeakPolarHBondContact CD-O 3.42Å; P31-V66 HydrophobicContact CG-CG2 4.01Å | ||
| 32 | T | 97.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | trans | -114.8 | -1.4 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | K30 H36 | K30-T32 PolarHBondContact O-N 3.35Å; T32-H36 PolarHBondContact N-ND1 3.04Å | ||
| 33 | L | 97.4 | Very high | 96.8 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -136.4 | 149.6 | -178.7 | -60.8 | 176.7 | 0 | 0 | 0 | 109.9 | A35 H36 V37 | L33-A35 PolarHBondContact O-N 3.45Å; L33-A35 VanDerWaalsContact O-N 3.16Å; L33-H36 WeakPolarHBondContact O-CA 3.41Å; L33-H36 VanDerWaalsContact O-CB 3.31Å; L33-H36 WeakPolarHBondContact O-CB 3.18Å; L33-H36 PolarHBondContact O-N 2.92Å; L33-V37 PolarHBondContact O-N 3.5Å |
| 34 | D | 97 | Very high | 96.8 | Very high | 123 Ų | 123 | 42.1 Ų | 42.1 | 66% | 0.658 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -57.5 | -30.8 | 174.2 | -67.5 | -50.1 | 0 | 0 | 0 | 112.7 | H36 V37 T38 | D34-H36 VanDerWaalsContact C-N 3.33Å; D34-V37 PolarHBondContact O-N 3.37Å; D34-T38 WeakPolarHBondContact O-CB 3.37Å; D34-T38 PolarHBondContact O-N 3.42Å; D34-T38 PolarHBondContact O-OG1 3.29Å |
| 35 | A | 97.6 | Very high | 96.4 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 55% | 0.554 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.9 | -37.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L33 T38 L39 | L33-A35 PolarHBondContact O-N 3.45Å; L33-A35 VanDerWaalsContact O-N 3.16Å; A35-T38 PolarHBondContact O-N 3.39Å; A35-L39 WeakPolarHBondContact O-CB 3.36Å; A35-L39 PolarHBondContact O-N 3.24Å |
| 36 | H | 97.9 | Very high | 96.1 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 6% | 0.06 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 175.7 | -60.2 | -178.1 | 0 | 0 | 0 | 110.3 | P31 T32 L33 D34 T38 L39 I40 G86 V87 | P31-H36 HydrophobicContact CB-CB 3.82Å; T32-H36 PolarHBondContact N-ND1 3.04Å; L33-H36 WeakPolarHBondContact O-CA 3.41Å; L33-H36 VanDerWaalsContact O-CB 3.31Å; L33-H36 WeakPolarHBondContact O-CB 3.18Å; L33-H36 PolarHBondContact O-N 2.92Å; D34-H36 VanDerWaalsContact C-N 3.33Å; H36-T38 VanDerWaalsContact C-N 3.33Å; H36-T38 PolarHBondContact O-N 3.1Å; H36-L39 WeakPolarHBondContact O-CB 3.46Å; H36-L39 PolarHBondContact O-N 3.13Å; H36-I40 VanDerWaalsContact O-CG1 3.29Å; H36-I40 WeakPolarHBondContact O-CG1 3.46Å; H36-I40 PolarHBondContact O-N 3.15Å; H36-G86 PolarHBondContact CE1-O 2.93Å; H36-G86 PolarHBondContact NE2-O 3.38Å; H36-V87 HydrophobicContact CB-CG2 3.84Å |
| 37 | V | 97.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | P31 L33 D34 L39 I40 K41 V60 I62 | P31-V37 HydrophobicContact CB-CG2 4.08Å; L33-V37 PolarHBondContact O-N 3.5Å; D34-V37 PolarHBondContact O-N 3.37Å; V37-L39 VanDerWaalsContact C-N 3.3Å; V37-L39 PolarHBondContact O-N 2.7Å; V37-I40 PolarHBondContact O-N 2.86Å; V37-K41 HydrophobicContact CG1-CD 4.29Å; V37-K41 WeakPolarHBondContact O-CG 3.28Å; V37-K41 PolarHBondContact O-N 3.3Å; V37-V60 HydrophobicContact CG1-CG1 4.16Å; V37-V60 VanDerWaalsContact CG1-O 3.3Å; V37-V60 WeakPolarHBondContact CG1-O 3.46Å; V37-V60 HydrophobicContact CG2-CG1 4.34Å; V37-I62 HydrophobicContact CG2-CG2 3.92Å |
| 38 | T | 96.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 57.4 Ų | 57.4 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.3 | -42 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | D34 A35 H36 H42 | D34-T38 WeakPolarHBondContact O-CB 3.37Å; D34-T38 PolarHBondContact O-N 3.42Å; D34-T38 PolarHBondContact O-OG1 3.29Å; A35-T38 PolarHBondContact O-N 3.39Å; H36-T38 VanDerWaalsContact C-N 3.33Å; H36-T38 PolarHBondContact O-N 3.1Å; T38-H42 WeakPolarHBondContact O-CB 3.37Å; T38-H42 PolarHBondContact O-N 2.99Å |
| 39 | L | 96.6 | Very high | 94.8 | Very high | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 178.5 | -173.7 | 71.7 | 0 | 0 | 0 | 112.2 | A35 H36 V37 K41 H42 L43 T81 V87 | A35-L39 WeakPolarHBondContact O-CB 3.36Å; A35-L39 PolarHBondContact O-N 3.24Å; H36-L39 WeakPolarHBondContact O-CB 3.46Å; H36-L39 PolarHBondContact O-N 3.13Å; V37-L39 VanDerWaalsContact C-N 3.3Å; V37-L39 PolarHBondContact O-N 2.7Å; L39-K41 PolarHBondContact O-N 3.45Å; L39-H42 WeakPolarHBondContact O-CB 3.35Å; L39-H42 PolarHBondContact O-N 3.16Å; L39-H42 VanDerWaalsContact O-N 3.16Å; L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 PolarHBondContact O-N 3Å; L39-T81 HydrophobicContact CD1-CG2 3.67Å; L39-T81 HydrophobicContact CD2-CG2 4.04Å; L39-T81 HydrophobicContact CG-CG2 3.83Å; L39-V87 HydrophobicContact CD2-CG2 3.73Å |
| 40 | I | 96.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -46 | 178.7 | -66.9 | 166.4 | 0 | 0 | 0 | 110.3 | L29 P31 H36 V37 H42 L43 A44 F51 V60 V66 V87 | L29-I40 HydrophobicContact CB-CD1 4.2Å; L29-I40 HydrophobicContact CD1-CD1 3.78Å; L29-I40 HydrophobicContact CD1-CG1 3.78Å; L29-I40 HydrophobicContact CD1-CG2 4.29Å; P31-I40 HydrophobicContact CB-CD1 4.02Å; P31-I40 HydrophobicContact CG-CD1 4.25Å; H36-I40 VanDerWaalsContact O-CG1 3.29Å; H36-I40 WeakPolarHBondContact O-CG1 3.46Å; H36-I40 PolarHBondContact O-N 3.15Å; V37-I40 PolarHBondContact O-N 2.86Å; I40-H42 VanDerWaalsContact C-N 3.28Å; I40-H42 PolarHBondContact O-N 3.41Å; I40-L43 WeakPolarHBondContact O-CB 3.39Å; I40-L43 PolarHBondContact O-N 2.88Å; I40-A44 PolarHBondContact O-N 3.38Å; I40-F51 HydrophobicContact CG2-CE1 4.43Å; I40-F51 HydrophobicContact CG2-CZ 4.34Å; I40-V60 HydrophobicContact CD1-CG1 4.32Å; I40-V60 HydrophobicContact CG2-CG1 4.36Å; I40-V60 HydrophobicContact CG2-CG2 4.24Å; I40-V66 HydrophobicContact CG2-CG1 4.44Å; I40-V87 HydrophobicContact CD1-CG1 4.35Å |
| 41 | K | 95.1 | Very high | 94.5 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 21% | 0.213 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 176.1 | -66.4 | -172.7 | -169.7 | -153.5 | 0 | 112.4 | V37 L39 K45 D57 D58 V60 | V37-K41 HydrophobicContact CG1-CD 4.29Å; V37-K41 WeakPolarHBondContact O-CG 3.28Å; V37-K41 PolarHBondContact O-N 3.3Å; L39-K41 PolarHBondContact O-N 3.45Å; K41-K45 WeakPolarHBondContact O-CD 3.41Å; K41-K45 VanDerWaalsContact O-CG 3.32Å; K41-K45 WeakPolarHBondContact O-CG 3.46Å; K41-K45 PolarHBondContact O-N 2.93Å; K41-D57 WeakPolarHBondContact CE-O 3.4Å; K41-D57 HydrophobicContact CG-CB 4.31Å; K41-D57 WeakPolarHBondContact CG-O 3.3Å; K41-D58 PolarHBondContact NZ-O 3.21Å; K41-V60 VanDerWaalsContact CE-O 3.3Å; K41-V60 WeakPolarHBondContact CE-O 3.32Å; K41-V60 PolarHBondContact NZ-O 2.73Å |
| 42 | H | 93.8 | Very high | 94.5 | Very high | 123 Ų | 123 | 55.2 Ų | 55.2 | 57% | 0.569 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 175.7 | -174.3 | 66.8 | 0 | 0 | 0 | 112.1 | T38 L39 I40 K45 S46 | T38-H42 WeakPolarHBondContact O-CB 3.37Å; T38-H42 PolarHBondContact O-N 2.99Å; L39-H42 WeakPolarHBondContact O-CB 3.35Å; L39-H42 PolarHBondContact O-N 3.16Å; L39-H42 VanDerWaalsContact O-N 3.16Å; I40-H42 VanDerWaalsContact C-N 3.28Å; I40-H42 PolarHBondContact O-N 3.41Å; H42-K45 PolarHBondContact O-N 2.95Å; H42-S46 PolarHBondContact O-N 2.79Å; H42-S46 PolarHBondContact O-OG 3.41Å |
| 43 | L | 94 | Very high | 94.2 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 175.7 | -176.7 | 65.5 | 0 | 0 | 0 | 110.7 | L39 I40 K45 S46 I47 L49 V78 T81 | L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 PolarHBondContact O-N 3Å; I40-L43 WeakPolarHBondContact O-CB 3.39Å; I40-L43 PolarHBondContact O-N 2.88Å; L43-K45 PolarHBondContact O-N 3.36Å; L43-S46 PolarHBondContact O-N 3.16Å; L43-I47 HydrophobicContact CD1-CD1 3.73Å; L43-I47 HydrophobicContact CD1-CG1 3.99Å; L43-I47 HydrophobicContact CG-CD1 4.08Å; L43-I47 HydrophobicContact CG-CG1 4.23Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.19Å; L43-I47 PolarHBondContact O-N 3.4Å; L43-L49 HydrophobicContact CD2-CD1 4.11Å; L43-L49 HydrophobicContact CG-CD1 4.01Å; L43-V78 HydrophobicContact CD1-CG2 4.31Å; L43-V78 HydrophobicContact CD2-CG1 4.33Å; L43-V78 HydrophobicContact CD2-CG2 4.08Å; L43-T81 HydrophobicContact CD1-CG2 4.34Å |
| 44 | A | 92.7 | Very high | 94.1 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -25.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I40 I47 L49 F51 D57 | I40-A44 PolarHBondContact O-N 3.38Å; A44-I47 CarbonylContact C-O 3.57Å; A44-L49 HydrophobicContact CB-CD1 4.31Å; A44-F51 HydrophobicContact CB-CE2 3.6Å; A44-F51 HydrophobicContact CB-CZ 3.79Å; A44-D57 HydrophobicContact CB-CB 3.61Å |
| 45 | K | 89.9 | Confident | 93.8 | Very high | 150 Ų | 150 | 44.5 Ų | 44.5 | 65% | 0.652 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -84.9 | -19 | 175.3 | -71.4 | 170.3 | -174.8 | 176.5 | 0 | 113.2 | K41 H42 L43 | K41-K45 WeakPolarHBondContact O-CD 3.41Å; K41-K45 VanDerWaalsContact O-CG 3.32Å; K41-K45 WeakPolarHBondContact O-CG 3.46Å; K41-K45 PolarHBondContact O-N 2.93Å; H42-K45 PolarHBondContact O-N 2.95Å; L43-K45 PolarHBondContact O-N 3.36Å |
| 46 | S | 90.4 | Very high | 93.5 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 48% | 0.483 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -94.2 | -32.3 | -174.8 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | H42 L43 | H42-S46 PolarHBondContact O-N 2.79Å; H42-S46 PolarHBondContact O-OG 3.41Å; L43-S46 PolarHBondContact O-N 3.16Å |
| 47 | I | 91.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -134.7 | 153.4 | 179.6 | 54.6 | 165.2 | 0 | 0 | 0 | 110 | L43 A44 L49 Y74 M77 V78 | L43-I47 HydrophobicContact CD1-CD1 3.73Å; L43-I47 HydrophobicContact CD1-CG1 3.99Å; L43-I47 HydrophobicContact CG-CD1 4.08Å; L43-I47 HydrophobicContact CG-CG1 4.23Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.19Å; L43-I47 PolarHBondContact O-N 3.4Å; A44-I47 CarbonylContact C-O 3.57Å; I47-L49 HydrophobicContact CD1-CD2 3.61Å; I47-L49 HydrophobicContact CD1-CG 4.04Å; I47-L49 HydrophobicContact CG1-CD2 4.11Å; I47-L49 HydrophobicContact CG1-CG 4.01Å; I47-L49 PolarHBondContact O-N 3.28Å; I47-Y74 HydrophobicContact CB-CD1 4.18Å; I47-Y74 HydrophobicContact CB-CD2 4.05Å; I47-Y74 HydrophobicContact CB-CE1 4.26Å; I47-Y74 HydrophobicContact CB-CE2 4.1Å; I47-Y74 HydrophobicContact CB-CG 4.09Å; I47-Y74 HydrophobicContact CD1-CD2 4.32Å; I47-Y74 HydrophobicContact CD1-CG 4.05Å; I47-Y74 HydrophobicContact CG2-CD1 3.62Å; I47-Y74 HydrophobicContact CG2-CD2 4.4Å; I47-Y74 HydrophobicContact CG2-CE1 3.72Å; I47-Y74 HydrophobicContact CG2-CE2 4.46Å; I47-Y74 HydrophobicContact CG2-CG 3.99Å; I47-M77 HydrophobicContact CG2-CE 4.36Å; I47-M77 HydrophobicContact CG2-SD 3.6Å; I47-V78 HydrophobicContact CD1-CG2 3.72Å |
| 48 | E | 84.2 | Confident | 92.9 | Very high | 140 Ų | 140 | 46.1 Ų | 46.1 | 65% | 0.654 | 24% | 0.235 | S | C | * | . | trans | -71.9 | 108.1 | 173.2 | -173.1 | 176.7 | -153 | 0 | 0 | 109 | R73 | E48-R73 IonicContact OE2-NH2 3.78Š| ||
| 49 | L | 91.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | trans | -112 | 134 | 173.8 | -68.6 | -175.9 | 0 | 0 | 0 | 109.5 | L43 A44 I47 F51 I68 V70 | L43-L49 HydrophobicContact CD2-CD1 4.11Å; L43-L49 HydrophobicContact CG-CD1 4.01Å; A44-L49 HydrophobicContact CB-CD1 4.31Å; I47-L49 HydrophobicContact CD1-CD2 3.61Å; I47-L49 HydrophobicContact CD1-CG 4.04Å; I47-L49 HydrophobicContact CG1-CD2 4.11Å; I47-L49 HydrophobicContact CG1-CG 4.01Å; I47-L49 PolarHBondContact O-N 3.28Å; L49-F51 HydrophobicContact CB-CD2 4.2Å; L49-F51 HydrophobicContact CB-CE2 3.87Å; L49-F51 HydrophobicContact CD1-CE2 4.27Å; L49-I68 HydrophobicContact CD1-CD1 4.08Å; L49-V70 HydrophobicContact CD2-CG1 4.42Å; L49-V70 HydrophobicContact CD2-CG2 3.98Å | ||
| 50 | D | 93.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 112.8 | 169.5 | 171.3 | 25.9 | 0 | 0 | 0 | 108.9 | W52 I68 H69 R178 | D50-W52 PolarHBondContact OD2-NE1 2.88Å; D50-I68 WeakPolarHBondContact O-CA 3.24Å; D50-H69 HydrophobicContact CB-CB 4Å; D50-H69 PolarHBondContact N-O 3.32Å; D50-H69 PolarHBondContact O-N 3.09Å; D50-H69 IonicContact OD2-ND1 3.72Å; D50-R178 IonicContact OD1-CZ 3.8Å; D50-R178 IonicContact OD1-NH1 3.61Å; D50-R178 PolarHBondContact OD1-NH1 2.98Å; D50-R178 IonicContact OD1-NH2 2.91Å; D50-R178 IonicContact OD2-NH1 3.84Å; D50-R178 PolarHBondContact OD2-NH1 3.24Å |
| 51 | F | 96.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.1 | 178 | -84.1 | -99.6 | 0 | 0 | 0 | 110.1 | I40 A44 L49 P54 D57 V60 V66 I68 R178 | I40-F51 HydrophobicContact CG2-CE1 4.43Å; I40-F51 HydrophobicContact CG2-CZ 4.34Å; A44-F51 HydrophobicContact CB-CE2 3.6Å; A44-F51 HydrophobicContact CB-CZ 3.79Å; L49-F51 HydrophobicContact CB-CD2 4.2Å; L49-F51 HydrophobicContact CB-CE2 3.87Å; L49-F51 HydrophobicContact CD1-CE2 4.27Å; F51-P54 WeakPolarHBondContact CB-O 3.36Å; F51-D57 HydrophobicContact CE1-CB 4.18Å; F51-D57 HydrophobicContact CE2-CB 3.95Å; F51-D57 HydrophobicContact CZ-CB 3.62Å; F51-V60 HydrophobicContact CE1-CG2 4Å; F51-V66 HydrophobicContact CD1-CG1 4.33Å; F51-V66 HydrophobicContact CE1-CG1 3.93Å; F51-I68 HydrophobicContact CD1-CG2 3.73Å; F51-I68 HydrophobicContact CD2-CG2 4.38Å; F51-I68 HydrophobicContact CE1-CG2 3.67Å; F51-I68 HydrophobicContact CE2-CG2 4.33Å; F51-I68 HydrophobicContact CG-CG2 4.09Å; F51-I68 HydrophobicContact CZ-CG2 3.99Å; F51-R178 PolarHBondContact O-NH2 2.94Å |
| 52 | W | 95.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -40.2 | 176.2 | -75.6 | 23.6 | 0 | 0 | 0 | 111.6 | V26 D50 D67 I93 F96 M232 Y306 F387 L388 | V26-W52 HydrophobicContact CG1-CD2 4.39Å; V26-W52 HydrophobicContact CG1-CE3 4.13Å; V26-W52 HydrophobicContact CG1-CZ3 4.37Å; V26-W52 HydrophobicContact CG2-CH2 4.05Å; V26-W52 HydrophobicContact CG2-CZ2 4.03Å; V26-W52 HydrophobicContact CG2-CZ3 4.34Å; D50-W52 PolarHBondContact OD2-NE1 2.88Å; W52-D67 HydrophobicContact CB-CB 3.9Å; W52-D67 WeakPolarHBondContact CB-O 3.16Å; W52-D67 PolarHBondContact N-O 3.07Å; W52-I93 HydrophobicContact CH2-CD1 4.03Å; W52-I93 HydrophobicContact CZ3-CD1 4.2Å; W52-F96 AromaticContact CH2-CE2 3.57Å; W52-F96 HydrophobicContact CH2-CE2 3.57Å; W52-F96 HydrophobicContact CH2-CZ 4.13Å; W52-F96 AromaticContact CZ2-CE2 3.41Å; W52-F96 HydrophobicContact CZ2-CE2 3.41Å; W52-F96 VanDerWaalsContact CZ2-CE2 3.41Å; W52-F96 AromaticContact CZ2-CZ 3.56Å; W52-F96 HydrophobicContact CZ2-CZ 3.56Å; W52-M232 HydrophobicContact CH2-SD 4.49Å; W52-M232 HydrophobicContact CZ2-CE 4.34Å; W52-M232 HydrophobicContact CZ2-SD 3.46Å; W52-M232 WeakPolarHBondContact CZ2-SD 3.37Å; W52-Y306 HydrophobicContact CB-CE1 4.21Å; W52-Y306 WeakPolarHBondContact CB-OH 3.38Å; W52-Y306 AromaticContact CE3-CE1 3.87Å; W52-Y306 HydrophobicContact CE3-CE1 3.87Å; W52-F387 HydrophobicContact CB-CE2 3.75Å; W52-F387 HydrophobicContact CB-CZ 4.34Å; W52-F387 AromaticContact CD1-CE2 3.71Å; W52-F387 AromaticContact CD2-CD2 3.55Å; W52-F387 HydrophobicContact CD2-CD2 3.55Å; W52-F387 AromaticContact CD2-CE2 3.53Å; W52-F387 HydrophobicContact CD2-CE2 3.53Å; W52-F387 AromaticContact CE2-CD2 3.59Å; W52-F387 AromaticContact CE2-CE2 3.9Å; W52-F387 AromaticContact CE3-CD2 3.87Å; W52-F387 HydrophobicContact CE3-CD2 3.87Å; W52-F387 HydrophobicContact CE3-CE2 4.06Å; W52-F387 AromaticContact CG-CD2 3.94Å; W52-F387 HydrophobicContact CG-CD2 3.94Å; W52-F387 AromaticContact CG-CE2 3.4Å; W52-F387 HydrophobicContact CG-CE2 3.4Å; W52-F387 VanDerWaalsContact CG-CE2 3.4Å; W52-F387 HydrophobicContact CG-CZ 4.43Å; W52-F387 HydrophobicContact CH2-CD2 4.19Å; W52-F387 AromaticContact CZ2-CD2 3.93Å; W52-F387 HydrophobicContact CZ2-CD2 3.93Å; W52-F387 HydrophobicContact CZ3-CD2 4.19Å; W52-F387 AromaticContact NE1-CD2 3.98Å; W52-F387 AromaticContact NE1-CE2 3.98Å; W52-L388 HydrophobicContact CH2-CG 4.32Å |
| 53 | R | 92.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 23% | 0.226 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 131 | 175.2 | -177.1 | 177 | 176.3 | 176.3 | -3.3 | 110.1 | V66 D67 S307 | R53-V66 CarbonylContact O-C 3.56Å; R53-V66 WeakPolarHBondContact O-CA 3.34Å; R53-D67 HydrophobicContact CB-CB 4.12Å; R53-D67 PolarHBondContact N-O 3.11Å; R53-D67 PolarHBondContact O-N 3.35Å; R53-S307 PolarHBondContact NH1-OG 2.95Å |
| 54 | P | 93.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | S | Bend | cis | -60.6 | 175.9 | -19.3 | 32.2 | -37.4 | 0 | 0 | 0 | 111.3 | F51 S56 L59 V60 I64 Y356 | F51-P54 WeakPolarHBondContact CB-O 3.36Å; P54-S56 PolarHBondContact O-N 3.09Å; P54-S56 VanDerWaalsContact O-N 3.08Å; P54-L59 HydrophobicContact CB-CB 3.61Å; P54-L59 HydrophobicContact CB-CD1 4.12Å; P54-L59 HydrophobicContact CG-CB 3.64Å; P54-V60 HydrophobicContact CG-CG2 4.12Å; P54-I64 HydrophobicContact CG-CD1 4.06Å; P54-Y356 HydrophobicContact CB-CD1 3.51Å; P54-Y356 HydrophobicContact CB-CE1 3.39Å; P54-Y356 HydrophobicContact CB-CG 4.27Å |
| 55 | D | 90.5 | Very high | 92.4 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -64.3 | -12.4 | -176.2 | -65.8 | -35.8 | 0 | 0 | 0 | 115.2 | R234 R252 T271 Y356 | D55-R234 IonicContact OD1-CZ 3.42Å; D55-R234 IonicContact OD1-NH1 2.64Å; D55-R234 PolarHBondContact OD1-NH1 3.42Å; D55-R234 IonicContact OD1-NH2 2.84Å; D55-R234 PolarHBondContact OD1-NH2 2.88Å; D55-R234 IonicContact OD2-CZ 3.71Å; D55-R234 IonicContact OD2-NH1 3.76Å; D55-R234 IonicContact OD2-NH2 3.7Å; D55-R234 PolarHBondContact OD2-NH2 2.98Å; D55-R252 IonicContact OD2-CZ 3.3Å; D55-R252 IonicContact OD2-NH2 2.72Å; D55-R252 PolarHBondContact OD2-NH2 3.47Å; D55-T271 HydrophobicContact CB-CG2 3.54Å; D55-Y356 PolarHBondContact N-OH 2.85Å; D55-Y356 PolarHBondContact OD1-OH 2.84Å; D55-Y356 PolarHBondContact OD2-OH 3.29Å |
| 56 | S | 92.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -157.6 | 162.8 | 177 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | P54 D58 L59 | P54-S56 PolarHBondContact O-N 3.09Å; P54-S56 VanDerWaalsContact O-N 3.08Å; S56-D58 VanDerWaalsContact C-N 3.27Å; S56-D58 PolarHBondContact O-N 3.34Å; S56-L59 PolarHBondContact O-N 3.1Å |
| 57 | D | 90.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 15% | 0.15 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -61.4 | -33.7 | 177.2 | 69.3 | -58.9 | 0 | 0 | 0 | 112.8 | K41 A44 F51 L59 V60 | K41-D57 WeakPolarHBondContact CE-O 3.4Å; K41-D57 HydrophobicContact CG-CB 4.31Å; K41-D57 WeakPolarHBondContact CG-O 3.3Å; A44-D57 HydrophobicContact CB-CB 3.61Å; F51-D57 HydrophobicContact CE1-CB 4.18Å; F51-D57 HydrophobicContact CE2-CB 3.95Å; F51-D57 HydrophobicContact CZ-CB 3.62Å; D57-L59 PolarHBondContact O-N 3.45Å; D57-L59 VanDerWaalsContact O-N 3.12Å; D57-V60 WeakPolarHBondContact O-CB 3.25Å; D57-V60 WeakPolarHBondContact O-CG2 3.26Å; D57-V60 PolarHBondContact O-N 3.43Å |
| 58 | D | 90.6 | Very high | 93.4 | Very high | 94 Ų | 94 | 37.2 Ų | 37.2 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -58 | -28 | 178.6 | -77 | -33.7 | 0 | 0 | 0 | 113.2 | K41 S56 | K41-D58 PolarHBondContact NZ-O 3.21Å; S56-D58 VanDerWaalsContact C-N 3.27Å; S56-D58 PolarHBondContact O-N 3.34Å |
| 59 | L | 92.2 | Very high | 93.9 | Very high | 17 Ų | 17 | 31 Ų | 31 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -86.8 | -5 | -179.2 | -65.6 | 171.5 | 0 | 0 | 0 | 113.8 | P54 S56 D57 T61 Y356 P357 | P54-L59 HydrophobicContact CB-CB 3.61Å; P54-L59 HydrophobicContact CB-CD1 4.12Å; P54-L59 HydrophobicContact CG-CB 3.64Å; S56-L59 PolarHBondContact O-N 3.1Å; D57-L59 PolarHBondContact O-N 3.45Å; D57-L59 VanDerWaalsContact O-N 3.12Å; L59-T61 PolarHBondContact O-N 2.8Å; L59-Y356 HydrophobicContact CD1-CD2 3.55Å; L59-Y356 HydrophobicContact CD1-CE2 3.68Å; L59-Y356 HydrophobicContact CD1-CG 4.06Å; L59-Y356 HydrophobicContact CD2-CD2 4.29Å; L59-Y356 HydrophobicContact CD2-CG 4.49Å; L59-Y356 HydrophobicContact CG-CD2 4.44Å; L59-P357 WeakPolarHBondContact CD2-O 3.48Å |
| 60 | V | 94.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | trans | -67.5 | 127.5 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | P31 V37 I40 K41 F51 P54 D57 V66 | P31-V60 HydrophobicContact CG-CG1 4.38Å; V37-V60 HydrophobicContact CG1-CG1 4.16Å; V37-V60 VanDerWaalsContact CG1-O 3.3Å; V37-V60 WeakPolarHBondContact CG1-O 3.46Å; V37-V60 HydrophobicContact CG2-CG1 4.34Å; I40-V60 HydrophobicContact CD1-CG1 4.32Å; I40-V60 HydrophobicContact CG2-CG1 4.36Å; I40-V60 HydrophobicContact CG2-CG2 4.24Å; K41-V60 VanDerWaalsContact CE-O 3.3Å; K41-V60 WeakPolarHBondContact CE-O 3.32Å; K41-V60 PolarHBondContact NZ-O 2.73Å; F51-V60 HydrophobicContact CE1-CG2 4Å; P54-V60 HydrophobicContact CG-CG2 4.12Å; D57-V60 WeakPolarHBondContact O-CB 3.25Å; D57-V60 WeakPolarHBondContact O-CG2 3.26Å; D57-V60 PolarHBondContact O-N 3.43Å; V60-V66 HydrophobicContact CG1-CG2 3.83Å; V60-V66 HydrophobicContact CG2-CG1 4.1Å; V60-V66 HydrophobicContact CG2-CG2 4.06Å | ||
| 61 | T | 93.5 | Very high | 94.3 | Very high | 74 Ų | 74 | 30 Ų | 30 | 45% | 0.454 | 16% | 0.158 | S | C | . | . | trans | -133.8 | 175.6 | 176.8 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | P31 L59 I64 | P31-T61 VanDerWaalsContact CG-O 3.28Å; P31-T61 WeakPolarHBondContact CG-O 3.11Å; L59-T61 PolarHBondContact O-N 2.8Å; T61-I64 VanDerWaalsContact OG1-CG2 3.3Å; T61-I64 WeakPolarHBondContact OG1-CG2 3.45Å | ||
| 62 | I | 95.1 | Very high | 94.3 | Very high | 75 Ų | 75 | 31.4 Ų | 31.4 | 39% | 0.385 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 150 | 173.3 | 61.6 | 173.9 | 0 | 0 | 0 | 110.6 | P31 V37 I64 | P31-I62 CarbonylContact O-C 3.52Å; P31-I62 WeakPolarHBondContact O-CA 3.06Å; V37-I62 HydrophobicContact CG2-CG2 3.92Å; I62-I64 PolarHBondContact O-N 2.62Å |
| 63 | D | 92.5 | Very high | 94.3 | Very high | 124 Ų | 124 | 39 Ų | 39 | 66% | 0.663 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 18.4 | 173.9 | -56.2 | -36.5 | 0 | 0 | 0 | 115.6 | P31 | P31-D63 PolarHBondContact O-N 3.28Š|
| 64 | I | 92.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 39 Ų | 39 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -102.7 | 151.7 | 167.3 | 74.9 | 169.6 | 0 | 0 | 0 | 110.9 | P31 P54 T61 I62 V66 | P31-I64 WeakPolarHBondContact CD-O 3.42Å; P54-I64 HydrophobicContact CG-CD1 4.06Å; T61-I64 VanDerWaalsContact OG1-CG2 3.3Å; T61-I64 WeakPolarHBondContact OG1-CG2 3.45Å; I62-I64 PolarHBondContact O-N 2.62Å; I64-V66 HydrophobicContact CD1-CG2 4.29Å; I64-V66 HydrophobicContact CG1-CG2 3.99Å |
| 65 | D | 95.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | trans | -76.8 | 129.2 | 169.1 | -73 | 0.8 | 0 | 0 | 0 | 109.8 | R28 K30 | R28-D65 WeakPolarHBondContact CD-OD2 2.92Å; R28-D65 HydrophobicContact CG-CB 4.34Å; R28-D65 IonicContact CZ-OD2 3.76Å; R28-D65 IonicContact NE-OD2 2.9Å; R28-D65 IonicContact NH1-OD2 2.73Å; K30-D65 VanDerWaalsContact CD-OD1 3.31Å; K30-D65 WeakPolarHBondContact CD-OD1 3.17Å; K30-D65 WeakPolarHBondContact CE-OD1 3.5Å; K30-D65 IonicContact NZ-OD1 2.65Å; K30-D65 PolarHBondContact NZ-OD1 3.46Å; K30-D65 IonicContact NZ-OD2 3.69Å; K30-D65 PolarHBondContact NZ-OD2 3.07Å | ||
| 66 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 103.3 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | R28 L29 P31 I40 F51 R53 V60 I64 I68 | R28-V66 CarbonylContact C-O 3.56Å; R28-V66 WeakPolarHBondContact CA-O 3.37Å; L29-V66 HydrophobicContact CB-CB 4.12Å; L29-V66 HydrophobicContact CD1-CG1 4.41Å; L29-V66 PolarHBondContact N-O 2.98Å; L29-V66 PolarHBondContact O-N 3.42Å; L29-V66 VanDerWaalsContact O-N 3.1Å; P31-V66 HydrophobicContact CG-CG2 4.01Å; I40-V66 HydrophobicContact CG2-CG1 4.44Å; F51-V66 HydrophobicContact CD1-CG1 4.33Å; F51-V66 HydrophobicContact CE1-CG1 3.93Å; R53-V66 CarbonylContact O-C 3.56Å; R53-V66 WeakPolarHBondContact O-CA 3.34Å; V60-V66 HydrophobicContact CG1-CG2 3.83Å; V60-V66 HydrophobicContact CG2-CG1 4.1Å; V60-V66 HydrophobicContact CG2-CG2 4.06Å; I64-V66 HydrophobicContact CD1-CG2 4.29Å; I64-V66 HydrophobicContact CG1-CG2 3.99Å; V66-I68 HydrophobicContact CG1-CG2 4.06Å |
| 67 | D | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120.1 | 178.1 | -61.2 | -13.4 | 0 | 0 | 0 | 109.6 | F27 R28 W52 R53 L92 Y306 | F27-D67 CarbonylContact O-C 3.44Å; F27-D67 VanDerWaalsContact O-CA 3.22Å; F27-D67 WeakPolarHBondContact O-CA 3.41Å; R28-D67 WeakPolarHBondContact CB-OD1 3.49Å; R28-D67 WeakPolarHBondContact CG-OD1 3.48Å; R28-D67 IonicContact CZ-OD1 3.56Å; R28-D67 IonicContact CZ-OD2 2.8Å; R28-D67 IonicContact NE-OD1 2.73Å; R28-D67 PolarHBondContact NE-OD1 3.45Å; R28-D67 IonicContact NE-OD2 3.6Å; R28-D67 IonicContact NH2-OD1 2.76Å; R28-D67 PolarHBondContact NH2-OD1 3.26Å; R28-D67 IonicContact NH2-OD2 3.93Å; R28-D67 PolarHBondContact NH2-OD2 2.9Å; W52-D67 HydrophobicContact CB-CB 3.9Å; W52-D67 WeakPolarHBondContact CB-O 3.16Å; W52-D67 PolarHBondContact N-O 3.07Å; R53-D67 HydrophobicContact CB-CB 4.12Å; R53-D67 PolarHBondContact N-O 3.11Å; R53-D67 PolarHBondContact O-N 3.35Å; D67-L92 HydrophobicContact CB-CD1 4.35Å; D67-Y306 WeakPolarHBondContact CB-OH 3.33Å; D67-Y306 PolarHBondContact OD2-OH 3.26Å |
| 68 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.3 | 179.6 | 56.9 | 168.9 | 0 | 0 | 0 | 111.5 | V26 F27 L29 L49 D50 F51 V66 V70 | V26-I68 CarbonylContact C-O 3.59Å; V26-I68 VanDerWaalsContact CA-O 3.31Å; V26-I68 WeakPolarHBondContact CA-O 3.36Å; F27-I68 HydrophobicContact CB-CG1 4.01Å; F27-I68 PolarHBondContact N-O 3.4Å; F27-I68 PolarHBondContact O-N 2.91Å; L29-I68 HydrophobicContact CD1-CD1 3.8Å; L29-I68 HydrophobicContact CD1-CG1 4.33Å; L29-I68 HydrophobicContact CD2-CD1 4.44Å; L29-I68 HydrophobicContact CG-CD1 4.3Å; L29-I68 HydrophobicContact CG-CG1 4.38Å; L49-I68 HydrophobicContact CD1-CD1 4.08Å; D50-I68 WeakPolarHBondContact O-CA 3.24Å; F51-I68 HydrophobicContact CD1-CG2 3.73Å; F51-I68 HydrophobicContact CD2-CG2 4.38Å; F51-I68 HydrophobicContact CE1-CG2 3.67Å; F51-I68 HydrophobicContact CE2-CG2 4.33Å; F51-I68 HydrophobicContact CG-CG2 4.09Å; F51-I68 HydrophobicContact CZ-CG2 3.99Å; V66-I68 HydrophobicContact CG1-CG2 4.06Å; I68-V70 HydrophobicContact CD1-CG2 3.82Å; I68-V70 HydrophobicContact CG1-CG2 4.03Å |
| 69 | H | 96.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.7 | 165 | 163.2 | -129.1 | 0 | 0 | 0 | 109.3 | F21 D24 K25 V26 D50 F96 | F21-H69 AromaticContact CD1-CE1 3.76Å; F21-H69 AromaticContact CD1-NE2 3.95Å; F21-H69 AromaticContact CE1-CE1 3.99Å; D24-H69 WeakPolarHBondContact CB-NE2 3.36Å; D24-H69 IonicContact OD2-CD2 3.44Å; D24-H69 IonicContact OD2-CE1 3.27Å; D24-H69 PolarHBondContact OD2-CE1 3.31Å; D24-H69 IonicContact OD2-NE2 2.79Å; D24-H69 PolarHBondContact OD2-NE2 3.5Å; K25-H69 WeakPolarHBondContact O-CA 3.23Å; V26-H69 HydrophobicContact CG2-CB 4.15Å; D50-H69 HydrophobicContact CB-CB 4Å; D50-H69 PolarHBondContact N-O 3.32Å; D50-H69 PolarHBondContact O-N 3.09Å; D50-H69 IonicContact OD2-ND1 3.72Å; H69-F96 AromaticContact CD2-CD1 3.79Å; H69-F96 AromaticContact NE2-CD1 3.57Å; H69-F96 AromaticContact NE2-CE1 3.9Å |
| 70 | V | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.9 | -175.3 | -177.5 | 0 | 0 | 0 | 0 | 109 | D24 K25 F27 L49 I68 L75 V78 | D24-V70 WeakPolarHBondContact CA-O 3.32Å; K25-V70 PolarHBondContact N-O 3.43Å; K25-V70 VanDerWaalsContact N-O 3.12Å; K25-V70 PolarHBondContact O-N 3.21Å; F27-V70 HydrophobicContact CD2-CB 4.14Å; F27-V70 HydrophobicContact CD2-CG2 3.56Å; F27-V70 HydrophobicContact CE2-CB 3.93Å; F27-V70 HydrophobicContact CE2-CG2 3.79Å; L49-V70 HydrophobicContact CD2-CG1 4.42Å; L49-V70 HydrophobicContact CD2-CG2 3.98Å; I68-V70 HydrophobicContact CD1-CG2 3.82Å; I68-V70 HydrophobicContact CG1-CG2 4.03Å; V70-L75 HydrophobicContact CB-CD2 4.11Å; V70-L75 HydrophobicContact CG1-CD2 3.83Å; V70-L75 HydrophobicContact CG1-CG 4.44Å; V70-V78 HydrophobicContact CG1-CB 4.28Å; V70-V78 HydrophobicContact CG1-CG2 3.62Å; V70-V78 HydrophobicContact CG2-CG1 4.4Å; V70-V78 HydrophobicContact CG2-CG2 4.32Å |
| 71 | P | 95.9 | Very high | 96 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | trans | -58.7 | 141.5 | 172 | -27.3 | 35.3 | 0 | 0 | 0 | 112.8 | D24 R73 Y74 | D24-P71 VanDerWaalsContact OD1-CA 3.29Å; D24-P71 WeakPolarHBondContact OD1-CA 3.4Å; P71-R73 HydrophobicContact CB-CG 4.09Å; P71-R73 PolarHBondContact O-N 2.9Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.5Å; P71-Y74 HydrophobicContact CG-CD2 4.09Å; P71-Y74 HydrophobicContact CG-CE2 4.43Å; P71-Y74 PolarHBondContact O-N 3.31Å | ||
| 72 | A | 96.1 | Very high | 96.1 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -49.9 | -39.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D24 Y74 L75 | D24-A72 PolarHBondContact OD1-N 3.04Å; A72-Y74 PolarHBondContact O-N 3Å; A72-Y74 VanDerWaalsContact O-N 3.1Å; A72-L75 PolarHBondContact O-N 2.97Å |
| 73 | R | 95.5 | Very high | 96.2 | Very high | 166 Ų | 166 | 49.6 Ų | 49.6 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -60.4 | -17.8 | 178.8 | 64.6 | 176.6 | 178.5 | -107.5 | 1.6 | 114.8 | E48 P71 | E48-R73 IonicContact OE2-NH2 3.78Å; P71-R73 HydrophobicContact CB-CG 4.09Å; P71-R73 PolarHBondContact O-N 2.9Å |
| 74 | Y | 96.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 51.6 Ų | 51.6 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -110.2 | -4 | -178.6 | -60.1 | -47.6 | 0 | 0 | 0 | 113.6 | I47 P71 A72 D76 M77 V78 | I47-Y74 HydrophobicContact CB-CD1 4.18Å; I47-Y74 HydrophobicContact CB-CD2 4.05Å; I47-Y74 HydrophobicContact CB-CE1 4.26Å; I47-Y74 HydrophobicContact CB-CE2 4.1Å; I47-Y74 HydrophobicContact CB-CG 4.09Å; I47-Y74 HydrophobicContact CD1-CD2 4.32Å; I47-Y74 HydrophobicContact CD1-CG 4.05Å; I47-Y74 HydrophobicContact CG2-CD1 3.62Å; I47-Y74 HydrophobicContact CG2-CD2 4.4Å; I47-Y74 HydrophobicContact CG2-CE1 3.72Å; I47-Y74 HydrophobicContact CG2-CE2 4.46Å; I47-Y74 HydrophobicContact CG2-CG 3.99Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.5Å; P71-Y74 HydrophobicContact CG-CD2 4.09Å; P71-Y74 HydrophobicContact CG-CE2 4.43Å; P71-Y74 PolarHBondContact O-N 3.31Å; A72-Y74 PolarHBondContact O-N 3Å; A72-Y74 VanDerWaalsContact O-N 3.1Å; Y74-D76 PolarHBondContact O-N 2.93Å; Y74-M77 WeakPolarHBondContact O-CB 3.38Å; Y74-M77 PolarHBondContact O-N 2.65Å; Y74-M77 VanDerWaalsContact O-N 3.11Å; Y74-V78 WeakPolarHBondContact O-CG2 3.32Å; Y74-V78 PolarHBondContact O-N 2.8Å |
| 75 | L | 96.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.5 | -46.5 | -174.3 | -73.4 | 175.7 | 0 | 0 | 0 | 113.2 | G23 K25 F27 V70 A72 M77 V78 Y79 | G23-L75 VanDerWaalsContact O-CD1 3.27Å; G23-L75 WeakPolarHBondContact O-CD1 3.27Å; K25-L75 HydrophobicContact CB-CD2 4.04Å; K25-L75 HydrophobicContact CD-CD1 4.21Å; K25-L75 HydrophobicContact CD-CD2 4.12Å; K25-L75 HydrophobicContact CG-CD1 4.15Å; K25-L75 HydrophobicContact CG-CD2 4.02Å; F27-L75 HydrophobicContact CE2-CD2 3.62Å; F27-L75 HydrophobicContact CZ-CD2 3.82Å; V70-L75 HydrophobicContact CB-CD2 4.11Å; V70-L75 HydrophobicContact CG1-CD2 3.83Å; V70-L75 HydrophobicContact CG1-CG 4.44Å; A72-L75 PolarHBondContact O-N 2.97Å; L75-M77 VanDerWaalsContact C-N 3.29Å; L75-M77 PolarHBondContact O-N 3.33Å; L75-V78 PolarHBondContact O-N 3.1Å; L75-V78 VanDerWaalsContact O-N 3.14Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE2 4.18Å; L75-Y79 HydrophobicContact CD2-CE2 4.48Å; L75-Y79 WeakPolarHBondContact O-CD2 3.35Å; L75-Y79 PolarHBondContact O-N 2.76Å |
| 76 | D | 96.6 | Very high | 96.7 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 69% | 0.69 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.7 | -42.5 | 179.1 | -70.9 | -13.5 | 0 | 0 | 0 | 111.7 | Y74 I80 | Y74-D76 PolarHBondContact O-N 2.93Å; D76-I80 WeakPolarHBondContact O-CB 3.18Å; D76-I80 WeakPolarHBondContact O-CD1 3.45Å; D76-I80 WeakPolarHBondContact O-CG1 3.44Å; D76-I80 PolarHBondContact O-N 2.86Å |
| 77 | M | 95.9 | Very high | 96.7 | Very high | 92 Ų | 92 | 51.4 Ų | 51.4 | 45% | 0.453 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.9 | -178.3 | -176.1 | -66.9 | 0 | 0 | 111.2 | I47 Y74 L75 T81 | I47-M77 HydrophobicContact CG2-CE 4.36Å; I47-M77 HydrophobicContact CG2-SD 3.6Å; Y74-M77 WeakPolarHBondContact O-CB 3.38Å; Y74-M77 PolarHBondContact O-N 2.65Å; Y74-M77 VanDerWaalsContact O-N 3.11Å; L75-M77 VanDerWaalsContact C-N 3.29Å; L75-M77 PolarHBondContact O-N 3.33Å; M77-T81 VanDerWaalsContact O-CB 3.25Å; M77-T81 WeakPolarHBondContact O-CB 3.36Å; M77-T81 PolarHBondContact O-N 3.33Å; M77-T81 PolarHBondContact O-OG1 3.33Å |
| 78 | V | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 179.3 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L43 I47 V70 Y74 L75 I80 T81 L82 | L43-V78 HydrophobicContact CD1-CG2 4.31Å; L43-V78 HydrophobicContact CD2-CG1 4.33Å; L43-V78 HydrophobicContact CD2-CG2 4.08Å; I47-V78 HydrophobicContact CD1-CG2 3.72Å; V70-V78 HydrophobicContact CG1-CB 4.28Å; V70-V78 HydrophobicContact CG1-CG2 3.62Å; V70-V78 HydrophobicContact CG2-CG1 4.4Å; V70-V78 HydrophobicContact CG2-CG2 4.32Å; Y74-V78 WeakPolarHBondContact O-CG2 3.32Å; Y74-V78 PolarHBondContact O-N 2.8Å; L75-V78 PolarHBondContact O-N 3.1Å; L75-V78 VanDerWaalsContact O-N 3.14Å; V78-I80 PolarHBondContact O-N 3.23Å; V78-T81 PolarHBondContact O-N 3.31Å; V78-L82 HydrophobicContact CG1-CD1 3.57Å; V78-L82 HydrophobicContact CG1-CG 4.05Å; V78-L82 WeakPolarHBondContact O-CB 3.27Å; V78-L82 VanDerWaalsContact O-CG 3.25Å; V78-L82 WeakPolarHBondContact O-CG 3.49Å; V78-L82 PolarHBondContact O-N 3.32Å |
| 79 | Y | 97.5 | Very high | 96.7 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.7 | -52.4 | 176.7 | -78.6 | -59.6 | 0 | 0 | 0 | 111.8 | F27 L75 T81 L82 E83 Y89 I91 | F27-Y79 HydrophobicContact CE1-CD1 4.35Å; F27-Y79 AromaticContact CE1-CE1 3.68Å; F27-Y79 HydrophobicContact CE1-CE1 3.68Å; F27-Y79 AromaticContact CE1-CZ 3.95Å; F27-Y79 AromaticContact CZ-CE1 3.96Å; F27-Y79 HydrophobicContact CZ-CE1 3.96Å; F27-Y79 HydrophobicContact CZ-CE2 4.31Å; F27-Y79 AromaticContact CZ-CZ 3.77Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE2 4.18Å; L75-Y79 HydrophobicContact CD2-CE2 4.48Å; L75-Y79 WeakPolarHBondContact O-CD2 3.35Å; L75-Y79 PolarHBondContact O-N 2.76Å; Y79-T81 VanDerWaalsContact C-N 3.31Å; Y79-T81 PolarHBondContact O-N 2.89Å; Y79-L82 PolarHBondContact O-N 3.29Å; Y79-E83 WeakPolarHBondContact O-CB 3.38Å; Y79-E83 VanDerWaalsContact O-CG 3.28Å; Y79-E83 WeakPolarHBondContact O-CG 3.46Å; Y79-E83 PolarHBondContact O-N 2.75Å; Y79-Y89 HydrophobicContact CD1-CE2 4.34Å; Y79-Y89 AromaticContact CD1-CZ 3.88Å; Y79-Y89 VanDerWaalsContact CD1-OH 3.28Å; Y79-Y89 WeakPolarHBondContact CD1-OH 3.26Å; Y79-Y89 AromaticContact CE1-CE2 3.93Å; Y79-Y89 HydrophobicContact CE1-CE2 3.93Å; Y79-Y89 AromaticContact CE1-CZ 3.91Å; Y79-Y89 WeakPolarHBondContact CE1-OH 3.38Å; Y79-I91 WeakPolarHBondContact OH-CD1 3.21Å |
| 80 | I | 96.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 62.1 Ų | 62.1 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 179.8 | -68.5 | 167 | 0 | 0 | 0 | 110.8 | D76 V78 Q84 | D76-I80 WeakPolarHBondContact O-CB 3.18Å; D76-I80 WeakPolarHBondContact O-CD1 3.45Å; D76-I80 WeakPolarHBondContact O-CG1 3.44Å; D76-I80 PolarHBondContact O-N 2.86Å; V78-I80 PolarHBondContact O-N 3.23Å; I80-Q84 HydrophobicContact CG2-CG 4.3Å; I80-Q84 VanDerWaalsContact O-CB 3.28Å; I80-Q84 WeakPolarHBondContact O-CB 3.48Å; I80-Q84 VanDerWaalsContact O-CG 3.24Å; I80-Q84 WeakPolarHBondContact O-CG 3.42Å; I80-Q84 PolarHBondContact O-N 3.47Å |
| 81 | T | 96 | Very high | 96.7 | Very high | 32 Ų | 32 | 64.9 Ų | 64.9 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -47.8 | -178.3 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | L39 L43 M77 V78 Y79 G85 | L39-T81 HydrophobicContact CD1-CG2 3.67Å; L39-T81 HydrophobicContact CD2-CG2 4.04Å; L39-T81 HydrophobicContact CG-CG2 3.83Å; L43-T81 HydrophobicContact CD1-CG2 4.34Å; M77-T81 VanDerWaalsContact O-CB 3.25Å; M77-T81 WeakPolarHBondContact O-CB 3.36Å; M77-T81 PolarHBondContact O-N 3.33Å; M77-T81 PolarHBondContact O-OG1 3.33Å; V78-T81 PolarHBondContact O-N 3.31Å; Y79-T81 VanDerWaalsContact C-N 3.31Å; Y79-T81 PolarHBondContact O-N 2.89Å; T81-G85 PolarHBondContact O-N 3.12Å |
| 82 | L | 96.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | -179.4 | -65.4 | 176.2 | 0 | 0 | 0 | 111.7 | L29 V78 Y79 G85 G86 V87 Y89 | L29-L82 HydrophobicContact CD1-CD2 4.07Å; L29-L82 HydrophobicContact CD2-CD1 3.62Å; L29-L82 HydrophobicContact CD2-CD2 3.99Å; L29-L82 HydrophobicContact CD2-CG 4.49Å; V78-L82 HydrophobicContact CG1-CD1 3.57Å; V78-L82 HydrophobicContact CG1-CG 4.05Å; V78-L82 WeakPolarHBondContact O-CB 3.27Å; V78-L82 VanDerWaalsContact O-CG 3.25Å; V78-L82 WeakPolarHBondContact O-CG 3.49Å; V78-L82 PolarHBondContact O-N 3.32Å; Y79-L82 PolarHBondContact O-N 3.29Å; L82-G85 CarbonylContact O-C 3.48Å; L82-G85 PolarHBondContact O-N 2.86Å; L82-G86 PolarHBondContact O-N 3.35Å; L82-V87 HydrophobicContact CB-CB 4.49Å; L82-V87 HydrophobicContact CD2-CB 3.86Å; L82-V87 HydrophobicContact CD2-CG1 3.97Å; L82-V87 HydrophobicContact CD2-CG2 4.34Å; L82-V87 PolarHBondContact O-N 3.47Å; L82-Y89 HydrophobicContact CB-CD1 3.99Å; L82-Y89 HydrophobicContact CB-CE1 4.16Å; L82-Y89 HydrophobicContact CD1-CD1 3.81Å; L82-Y89 HydrophobicContact CD1-CE1 4.33Å; L82-Y89 HydrophobicContact CD1-CG 4.1Å |
| 83 | E | 96.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 64 Ų | 64 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.5 | -46.1 | 179.9 | -72.3 | 178 | -179.3 | 0 | 0 | 112.4 | Y79 G85 G86 | Y79-E83 WeakPolarHBondContact O-CB 3.38Å; Y79-E83 VanDerWaalsContact O-CG 3.28Å; Y79-E83 WeakPolarHBondContact O-CG 3.46Å; Y79-E83 PolarHBondContact O-N 2.75Å; E83-G85 VanDerWaalsContact C-N 3.27Å; E83-G85 PolarHBondContact O-N 3.34Å; E83-G86 PolarHBondContact O-N 2.97Å |
| 84 | Q | 96.1 | Very high | 96.8 | Very high | 165 Ų | 165 | 60.9 Ų | 60.9 | 77% | 0.771 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.2 | -33.2 | 175.9 | -71 | -179.6 | -2.3 | 0 | 0 | 112.1 | I80 G86 | I80-Q84 HydrophobicContact CG2-CG 4.3Å; I80-Q84 VanDerWaalsContact O-CB 3.28Å; I80-Q84 WeakPolarHBondContact O-CB 3.48Å; I80-Q84 VanDerWaalsContact O-CG 3.24Å; I80-Q84 WeakPolarHBondContact O-CG 3.42Å; I80-Q84 PolarHBondContact O-N 3.47Å; Q84-G86 VanDerWaalsContact C-N 3.3Å |
| 85 | G | 96.4 | Very high | 96.7 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.7 | -10.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | T81 L82 E83 V87 | T81-G85 PolarHBondContact O-N 3.12Å; L82-G85 CarbonylContact O-C 3.48Å; L82-G85 PolarHBondContact O-N 2.86Å; E83-G85 VanDerWaalsContact C-N 3.27Å; E83-G85 PolarHBondContact O-N 3.34Å; G85-V87 PolarHBondContact O-N 2.91Å |
| 86 | G | 97.3 | Very high | 96.6 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 54% | 0.536 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 22.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | H36 L82 E83 Q84 A88 | H36-G86 PolarHBondContact CE1-O 2.93Å; H36-G86 PolarHBondContact NE2-O 3.38Å; L82-G86 PolarHBondContact O-N 3.35Å; E83-G86 PolarHBondContact O-N 2.97Å; Q84-G86 VanDerWaalsContact C-N 3.3Å; G86-A88 PolarHBondContact O-N 2.95Å |
| 87 | V | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | trans | -81 | 113.9 | 179.1 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | L29 H36 L39 I40 L82 G85 | L29-V87 HydrophobicContact CB-CG1 4.22Å; H36-V87 HydrophobicContact CB-CG2 3.84Å; L39-V87 HydrophobicContact CD2-CG2 3.73Å; I40-V87 HydrophobicContact CD1-CG1 4.35Å; L82-V87 HydrophobicContact CB-CB 4.49Å; L82-V87 HydrophobicContact CD2-CB 3.86Å; L82-V87 HydrophobicContact CD2-CG1 3.97Å; L82-V87 HydrophobicContact CD2-CG2 4.34Å; L82-V87 PolarHBondContact O-N 3.47Å; G85-V87 PolarHBondContact O-N 2.91Å | ||
| 88 | A | 97.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 49% | 0.488 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 139.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K30 G86 | K30-A88 HydrophobicContact CB-CB 4.25Å; K30-A88 PolarHBondContact N-O 3.15Å; G86-A88 PolarHBondContact O-N 2.95Å |
| 89 | Y | 97.5 | Very high | 96.3 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 29% | 0.286 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.8 | 178.2 | 67 | -93 | 0 | 0 | 0 | 112.4 | F27 R28 Y79 L82 I91 | F27-Y89 AromaticContact CD1-CD2 3.65Å; F27-Y89 HydrophobicContact CD1-CD2 3.65Å; F27-Y89 HydrophobicContact CD1-CE2 4.14Å; F27-Y89 HydrophobicContact CD1-CG 4.26Å; F27-Y89 AromaticContact CE1-CD2 3.96Å; F27-Y89 HydrophobicContact CE1-CD2 3.96Å; F27-Y89 AromaticContact CE1-CE2 3.96Å; F27-Y89 HydrophobicContact CE1-CE2 3.96Å; R28-Y89 CarbonylContact O-C 3.59Å; R28-Y89 WeakPolarHBondContact O-CA 3.45Å; Y79-Y89 HydrophobicContact CD1-CE2 4.34Å; Y79-Y89 AromaticContact CD1-CZ 3.88Å; Y79-Y89 VanDerWaalsContact CD1-OH 3.28Å; Y79-Y89 WeakPolarHBondContact CD1-OH 3.26Å; Y79-Y89 AromaticContact CE1-CE2 3.93Å; Y79-Y89 HydrophobicContact CE1-CE2 3.93Å; Y79-Y89 AromaticContact CE1-CZ 3.91Å; Y79-Y89 WeakPolarHBondContact CE1-OH 3.38Å; L82-Y89 HydrophobicContact CB-CD1 3.99Å; L82-Y89 HydrophobicContact CB-CE1 4.16Å; L82-Y89 HydrophobicContact CD1-CD1 3.81Å; L82-Y89 HydrophobicContact CD1-CE1 4.33Å; L82-Y89 HydrophobicContact CD1-CG 4.1Å; Y89-I91 HydrophobicContact CE2-CG1 4.36Å |
| 90 | E | 97.1 | Very high | 96.2 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 146.4 | 168.9 | 174.1 | 178.8 | -168.8 | 0 | 0 | 108.6 | F27 R28 L92 | F27-E90 CarbonylContact C-O 3.51Å; F27-E90 VanDerWaalsContact CA-O 3.32Å; F27-E90 WeakPolarHBondContact CA-O 3.43Å; R28-E90 HydrophobicContact CB-CB 4.38Å; R28-E90 PolarHBondContact N-O 2.88Å; R28-E90 PolarHBondContact O-N 3.47Å; E90-L92 HydrophobicContact CG-CD2 4.36Å |
| 91 | I | 97 | Very high | 95.9 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 108.5 | 170 | -59.8 | 172.8 | 0 | 0 | 0 | 106.9 | K25 F27 Y79 Y89 D94 | K25-I91 HydrophobicContact CD-CG2 4.45Å; F27-I91 HydrophobicContact CD1-CG1 4.24Å; F27-I91 HydrophobicContact CE1-CG1 4.04Å; Y79-I91 WeakPolarHBondContact OH-CD1 3.21Å; Y89-I91 HydrophobicContact CE2-CG1 4.36Å; I91-D94 HydrophobicContact CG2-CB 4.14Å |
| 92 | L | 96.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 54.5 Ų | 54.5 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -43.8 | 178.1 | -64.9 | 176.4 | 0 | 0 | 0 | 110.9 | V26 R28 D67 E90 G383 | V26-L92 HydrophobicContact CB-CB 4.41Å; V26-L92 HydrophobicContact CG1-CB 4.25Å; V26-L92 HydrophobicContact CG1-CD1 4.12Å; V26-L92 PolarHBondContact O-N 2.86Å; R28-L92 HydrophobicContact CB-CD1 3.74Å; R28-L92 HydrophobicContact CB-CD2 4.01Å; R28-L92 HydrophobicContact CB-CG 3.77Å; D67-L92 HydrophobicContact CB-CD1 4.35Å; E90-L92 HydrophobicContact CG-CD2 4.36Å; L92-G383 WeakPolarHBondContact CD1-O 3.44Å |
| 93 | I | 96.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 113.5 | 179.6 | -53.2 | 179 | 0 | 0 | 0 | 108.6 | K25 V26 W52 F96 A99 L388 | K25-I93 VanDerWaalsContact CA-O 3.31Å; K25-I93 WeakPolarHBondContact CA-O 3.45Å; K25-I93 WeakPolarHBondContact CB-O 3.45Å; V26-I93 HydrophobicContact CB-CB 3.94Å; V26-I93 HydrophobicContact CB-CD1 4.27Å; V26-I93 HydrophobicContact CB-CG1 4.09Å; V26-I93 HydrophobicContact CG2-CB 4.06Å; V26-I93 HydrophobicContact CG2-CD1 3.94Å; V26-I93 HydrophobicContact CG2-CG1 4.23Å; V26-I93 PolarHBondContact N-O 3.46Å; V26-I93 PolarHBondContact O-N 2.95Å; W52-I93 HydrophobicContact CH2-CD1 4.03Å; W52-I93 HydrophobicContact CZ3-CD1 4.2Å; I93-F96 HydrophobicContact CD1-CD2 4.09Å; I93-F96 HydrophobicContact CD1-CE2 4.21Å; I93-F96 HydrophobicContact CG2-CB 4.4Å; I93-F96 HydrophobicContact CG2-CD2 4.08Å; I93-A99 HydrophobicContact CG2-CB 3.69Å; I93-L388 HydrophobicContact CD1-CD1 4.4Å |
| 94 | D | 96 | Very high | 94.9 | Very high | 100 Ų | 100 | 51.4 Ų | 51.4 | 54% | 0.535 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -83.5 | -30.5 | -176.6 | -168.2 | 58.7 | 0 | 0 | 0 | 113.4 | K25 I91 | K25-D94 WeakPolarHBondContact CE-O 3.47Å; K25-D94 WeakPolarHBondContact CG-O 3.42Å; K25-D94 IonicContact NZ-OD1 3.67Å; K25-D94 PolarHBondContact NZ-OD1 2.83Å; I91-D94 HydrophobicContact CG2-CB 4.14Å |
| 95 | D | 94.6 | Very high | 94.6 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | trans | -131.6 | 95.4 | 175.1 | -178 | -12.1 | 0 | 0 | 0 | 108.9 | Q97 S98 A99 | D95-Q97 PolarHBondContact OD1-N 3.36Å; D95-S98 PolarHBondContact O-N 3.05Å; D95-S98 PolarHBondContact OD1-N 3.27Å; D95-S98 PolarHBondContact OD1-OG 3.49Å; D95-S98 VanDerWaalsContact OD2-CB 3.3Å; D95-S98 WeakPolarHBondContact OD2-CB 3.45Å; D95-S98 PolarHBondContact OD2-OG 2.73Å; D95-A99 PolarHBondContact O-N 3.46Å; D95-A99 VanDerWaalsContact O-N 3.07Å | ||
| 96 | F | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -36.8 | -174.6 | -167 | -122.3 | 0 | 0 | 0 | 112.6 | F21 D24 V26 W52 H69 I93 A99 V100 M232 L388 | F21-F96 HydrophobicContact CB-CB 4.37Å; F21-F96 HydrophobicContact CB-CD1 3.51Å; F21-F96 HydrophobicContact CB-CE1 4.23Å; F21-F96 HydrophobicContact CB-CG 4.36Å; F21-F96 AromaticContact CD1-CD1 3.69Å; F21-F96 HydrophobicContact CD1-CD1 3.69Å; F21-F96 AromaticContact CD1-CE1 3.65Å; F21-F96 HydrophobicContact CD1-CE1 3.65Å; F21-F96 HydrophobicContact CD2-CD1 4.24Å; F21-F96 HydrophobicContact CD2-CE1 4.16Å; F21-F96 HydrophobicContact CE1-CD1 4.45Å; F21-F96 AromaticContact CE1-CE1 3.96Å; F21-F96 HydrophobicContact CE1-CE1 3.96Å; F21-F96 HydrophobicContact CE2-CE1 4.45Å; F21-F96 AromaticContact CG-CD1 3.55Å; F21-F96 HydrophobicContact CG-CD1 3.55Å; F21-F96 AromaticContact CG-CE1 3.75Å; F21-F96 HydrophobicContact CG-CE1 3.75Å; F21-F96 HydrophobicContact CZ-CE1 4.36Å; D24-F96 HydrophobicContact CB-CB 3.86Å; D24-F96 HydrophobicContact CB-CD1 4.23Å; D24-F96 HydrophobicContact CB-CG 4.44Å; D24-F96 WeakPolarHBondContact O-CB 3.33Å; D24-F96 PolarHBondContact O-N 2.55Å; D24-F96 VanDerWaalsContact O-N 3.09Å; V26-F96 HydrophobicContact CG2-CD2 3.74Å; V26-F96 HydrophobicContact CG2-CE2 3.91Å; W52-F96 AromaticContact CH2-CE2 3.57Å; W52-F96 HydrophobicContact CH2-CE2 3.57Å; W52-F96 HydrophobicContact CH2-CZ 4.13Å; W52-F96 AromaticContact CZ2-CE2 3.41Å; W52-F96 HydrophobicContact CZ2-CE2 3.41Å; W52-F96 VanDerWaalsContact CZ2-CE2 3.41Å; W52-F96 AromaticContact CZ2-CZ 3.56Å; W52-F96 HydrophobicContact CZ2-CZ 3.56Å; H69-F96 AromaticContact CD2-CD1 3.79Å; H69-F96 AromaticContact NE2-CD1 3.57Å; H69-F96 AromaticContact NE2-CE1 3.9Å; I93-F96 HydrophobicContact CD1-CD2 4.09Å; I93-F96 HydrophobicContact CD1-CE2 4.21Å; I93-F96 HydrophobicContact CG2-CB 4.4Å; I93-F96 HydrophobicContact CG2-CD2 4.08Å; F96-A99 PolarHBondContact O-N 2.9Å; F96-V100 HydrophobicContact CE1-CG2 4.23Å; F96-V100 HydrophobicContact CZ-CG2 4.25Å; F96-V100 WeakPolarHBondContact O-CG2 3.16Å; F96-V100 PolarHBondContact O-N 3.36Å; F96-M232 HydrophobicContact CE1-CE 4.47Å; F96-M232 HydrophobicContact CE1-CG 3.83Å; F96-M232 HydrophobicContact CE1-SD 4.27Å; F96-M232 HydrophobicContact CZ-CE 3.72Å; F96-M232 HydrophobicContact CZ-CG 3.79Å; F96-M232 HydrophobicContact CZ-SD 3.6Å; F96-L388 HydrophobicContact CD2-CD1 3.82Å; F96-L388 HydrophobicContact CE2-CD1 3.23Å; F96-L388 HydrophobicContact CE2-CG 4.09Å; F96-L388 HydrophobicContact CZ-CD1 3.78Å; F96-L388 HydrophobicContact CZ-CG 4.41Å |
| 97 | Q | 95.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 175.9 | -175.6 | 61.4 | 60.3 | 0 | 0 | 111.3 | F21 E22 D95 A99 V100 D101 | F21-Q97 HydrophobicContact CB-CB 4.36Å; E22-Q97 HydrophobicContact CG-CB 4.42Å; E22-Q97 HydrophobicContact CG-CG 4.19Å; D95-Q97 PolarHBondContact OD1-N 3.36Å; Q97-A99 VanDerWaalsContact C-N 3.28Å; Q97-A99 PolarHBondContact O-N 3.12Å; Q97-V100 PolarHBondContact O-N 3.22Å; Q97-D101 PolarHBondContact NE2-OD1 2.96Å; Q97-D101 PolarHBondContact O-N 3.39Å |
| 98 | S | 94.4 | Very high | 91 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 175.4 | -72.1 | 0 | 0 | 0 | 0 | 112.3 | D95 G102 | D95-S98 PolarHBondContact O-N 3.05Å; D95-S98 PolarHBondContact OD1-N 3.27Å; D95-S98 PolarHBondContact OD1-OG 3.49Å; D95-S98 VanDerWaalsContact OD2-CB 3.3Å; D95-S98 WeakPolarHBondContact OD2-CB 3.45Å; D95-S98 PolarHBondContact OD2-OG 2.73Å; S98-G102 PolarHBondContact O-N 2.77Å |
| 99 | A | 94.1 | Very high | 89.4 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 21% | 0.207 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I93 D95 F96 Q97 G102 Q103 L388 | I93-A99 HydrophobicContact CG2-CB 3.69Å; D95-A99 PolarHBondContact O-N 3.46Å; D95-A99 VanDerWaalsContact O-N 3.07Å; F96-A99 PolarHBondContact O-N 2.9Å; Q97-A99 VanDerWaalsContact C-N 3.28Å; Q97-A99 PolarHBondContact O-N 3.12Å; A99-G102 PolarHBondContact O-N 3.43Å; A99-Q103 PolarHBondContact O-N 2.86Å; A99-L388 HydrophobicContact CB-CD1 3.68Å |
| 100 | V | 93.8 | Very high | 88.1 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 173.9 | 171 | 0 | 0 | 0 | 0 | 110.4 | F21 F96 Q97 G102 Q103 R231 L388 | F21-V100 HydrophobicContact CD2-CG2 4.07Å; F21-V100 HydrophobicContact CE2-CG2 4.31Å; F96-V100 HydrophobicContact CE1-CG2 4.23Å; F96-V100 HydrophobicContact CZ-CG2 4.25Å; F96-V100 WeakPolarHBondContact O-CG2 3.16Å; F96-V100 PolarHBondContact O-N 3.36Å; Q97-V100 PolarHBondContact O-N 3.22Å; V100-G102 VanDerWaalsContact C-N 3.27Å; V100-G102 PolarHBondContact O-N 2.63Å; V100-Q103 WeakPolarHBondContact O-CB 3.35Å; V100-Q103 PolarHBondContact O-N 3.15Å; V100-R231 HydrophobicContact CG1-CG 4.26Å; V100-R231 HydrophobicContact CG2-CG 4.38Å; V100-L388 HydrophobicContact CG2-CD1 3.74Å; V100-L388 HydrophobicContact CG2-CD2 3.9Å; V100-L388 HydrophobicContact CG2-CG 4.5Å |
| 101 | D | 91.2 | Very high | 86.6 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.1 | -32.9 | -179.4 | -65.8 | -15.4 | 0 | 0 | 0 | 111.7 | Q97 Q103 | Q97-D101 PolarHBondContact NE2-OD1 2.96Å; Q97-D101 PolarHBondContact O-N 3.39Å; D101-Q103 VanDerWaalsContact C-N 3.28Å; D101-Q103 PolarHBondContact O-N 2.86Å |
| 102 | G | 90.5 | Very high | 86 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S98 A99 V100 A104 | S98-G102 PolarHBondContact O-N 2.77Å; A99-G102 PolarHBondContact O-N 3.43Å; V100-G102 VanDerWaalsContact C-N 3.27Å; V100-G102 PolarHBondContact O-N 2.63Å; G102-A104 PolarHBondContact O-N 2.82Å |
| 103 | Q | 91.3 | Very high | 85.9 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.033 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -33 | 178.4 | -173 | 161.8 | 47.8 | 0 | 0 | 111.8 | A99 V100 D101 D105 Y118 R231 F387 L388 L389 E391 | A99-Q103 PolarHBondContact O-N 2.86Å; V100-Q103 WeakPolarHBondContact O-CB 3.35Å; V100-Q103 PolarHBondContact O-N 3.15Å; D101-Q103 VanDerWaalsContact C-N 3.28Å; D101-Q103 PolarHBondContact O-N 2.86Å; Q103-D105 VanDerWaalsContact C-N 3.31Å; Q103-D105 PolarHBondContact O-N 2.82Å; Q103-D105 VanDerWaalsContact O-N 3.15Å; Q103-Y118 HydrophobicContact CG-CD2 3.84Å; Q103-Y118 HydrophobicContact CG-CE2 3.57Å; Q103-R231 VanDerWaalsContact NE2-NH2 3.16Å; Q103-R231 VanDerWaalsContact OE1-NE 3.11Å; Q103-F387 PolarHBondContact NE2-O 2.96Å; Q103-L388 VanDerWaalsContact NE2-C 3.25Å; Q103-L388 VanDerWaalsContact NE2-CA 3.34Å; Q103-L389 PolarHBondContact NE2-O 3.32Å; Q103-E391 WeakPolarHBondContact O-CG 3.36Å; Q103-E391 PolarHBondContact O-N 3.12Å |
| 104 | A | 87.2 | Confident | 85.9 | Confident | 56 Ų | 56 | 62 Ų | 62 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | trans | -86 | 60 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G102 | G102-A104 PolarHBondContact O-N 2.82Š| ||
| 105 | D | 88.2 | Confident | 86 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | trans | -83.8 | -6.5 | -174.2 | 73.2 | -20.5 | 0 | 0 | 0 | 114.7 | Q103 G107 E391 S392 | Q103-D105 VanDerWaalsContact C-N 3.31Å; Q103-D105 PolarHBondContact O-N 2.82Å; Q103-D105 VanDerWaalsContact O-N 3.15Å; D105-G107 VanDerWaalsContact C-N 3.27Å; D105-G107 PolarHBondContact O-N 3.42Å; D105-E391 WeakPolarHBondContact OD1-CB 3.25Å; D105-E391 PolarHBondContact OD1-N 2.87Å; D105-E391 VanDerWaalsContact OD1-N 3.16Å; D105-S392 PolarHBondContact OD1-N 2.03Å; D105-S392 WeakPolarHBondContact OD2-CB 3.01Å; D105-S392 PolarHBondContact OD2-OG 2.95Å | ||
| 106 | S | 74.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 59 Ų | 59 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -89.3 | 22.2 | -175.5 | 78.9 | 0 | 0 | 0 | 0 | 114.4 | K117 E391 | S106-K117 PolarHBondContact O-NZ 3.06Å; S106-K117 WeakPolarHBondContact OG-CE 3.16Å; S106-K117 PolarHBondContact OG-NZ 3.32Å; S106-E391 WeakPolarHBondContact CB-OE2 3.46Å; S106-E391 PolarHBondContact OG-OE2 3.38Å |
| 107 | G | 71.4 | Confident | 86.1 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 49% | 0.485 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 78.4 | -169.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D105 S109 K117 | D105-G107 VanDerWaalsContact C-N 3.27Å; D105-G107 PolarHBondContact O-N 3.42Å; G107-S109 PolarHBondContact O-N 3.31Å; G107-K117 PolarHBondContact O-NZ 3.38Å |
| 108 | A | 70.3 | Confident | 86.2 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 81% | 0.81 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -54.7 | 136 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K117 | A108-K117 PolarHBondContact O-NZ 3.44Š|
| 109 | S | 65.9 | Low | 86.3 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 124.5 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | G107 | G107-S109 PolarHBondContact O-N 3.31Š|
| 110 | P | 68.6 | Low | 86.5 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 154.8 | 171.9 | 23.4 | -27.1 | 0 | 0 | 0 | 109.2 | A112 K117 | P110-A112 VanDerWaalsContact CG-O 3.3Å; P110-A112 WeakPolarHBondContact CG-O 3.35Å; P110-A112 PolarHBondContact O-N 2.92Å; P110-A112 VanDerWaalsContact O-N 3.08Å; P110-K117 VanDerWaalsContact CD-CE 3.43Å; P110-K117 HydrophobicContact CG-CD 4.05Å |
| 111 | R | 66.9 | Low | 86.7 | Confident | 260 Ų | 260 | 57.9 Ų | 57.9 | 98% | 0.981 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -68.7 | -1.2 | 173.5 | -70.5 | -174.3 | 179.7 | 178.1 | 0 | 113.5 | ||
| 112 | A | 83.3 | Confident | 86.9 | Confident | 62 Ų | 62 | 57 Ų | 57 | 51% | 0.512 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -136.2 | 161.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P110 | P110-A112 VanDerWaalsContact CG-O 3.3Å; P110-A112 WeakPolarHBondContact CG-O 3.35Å; P110-A112 PolarHBondContact O-N 2.92Å; P110-A112 VanDerWaalsContact O-N 3.08Å |
| 113 | H | 95 | Very high | 87.2 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | trans | -46.2 | 142.1 | 176 | 174.7 | -83.7 | 0 | 0 | 0 | 113.8 | Y115 N119 W127 Q187 | H113-Y115 AromaticContact CE1-CD1 3.53Å; H113-Y115 AromaticContact CE1-CE1 3.35Å; H113-Y115 WeakPolarHBondContact CE1-CE1 3.36Å; H113-Y115 AromaticContact CE1-CG 3.94Å; H113-Y115 AromaticContact CE1-CZ 3.69Å; H113-N119 WeakPolarHBondContact CA-OD1 3.41Å; H113-N119 PolarHBondContact CD2-ND2 3.17Å; H113-N119 PolarHBondContact NE2-ND2 2.87Å; H113-W127 HydrophobicContact CB-CB 4.18Å; H113-W127 AromaticContact CD2-CD1 3.84Å; H113-W127 AromaticContact CD2-CG 3.66Å; H113-W127 AromaticContact CE1-CD1 3.48Å; H113-W127 VanDerWaalsContact CE1-CD1 3.48Å; H113-W127 AromaticContact CE1-CG 3.98Å; H113-W127 AromaticContact CE1-NE1 3.74Å; H113-W127 AromaticContact CG-CD1 3.71Å; H113-W127 AromaticContact CG-CG 3.89Å; H113-W127 AromaticContact ND1-CD1 3.47Å; H113-W127 AromaticContact NE2-CD1 3.69Å; H113-W127 AromaticContact NE2-CG 3.72Å; H113-Q187 PolarHBondContact CD2-OE1 3.37Å; H113-Q187 PolarHBondContact NE2-OE1 2.79Å | ||
| 114 | S | 96.1 | Very high | 87.6 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | trans | -139.4 | 136.9 | 172 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | T116 K117 N119 | S114-T116 PolarHBondContact O-N 3.19Å; S114-T116 PolarHBondContact OG-N 2.86Å; S114-T116 PolarHBondContact OG-OG1 3.49Å; S114-K117 PolarHBondContact O-N 3.45Å; S114-N119 PolarHBondContact N-OD1 2.83Å; S114-N119 PolarHBondContact O-ND2 3.45Å; S114-N119 PolarHBondContact O-OD1 2.7Å | ||
| 115 | Y | 97.4 | Very high | 88.1 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7.4 | 176.2 | -62.1 | -71.8 | 0 | 0 | 0 | 114.3 | H113 W127 Q187 N191 I394 | H113-Y115 AromaticContact CE1-CD1 3.53Å; H113-Y115 AromaticContact CE1-CE1 3.35Å; H113-Y115 WeakPolarHBondContact CE1-CE1 3.36Å; H113-Y115 AromaticContact CE1-CG 3.94Å; H113-Y115 AromaticContact CE1-CZ 3.69Å; Y115-W127 HydrophobicContact CE1-CZ2 4.15Å; Y115-W127 AromaticContact CE1-NE1 3.53Å; Y115-W127 AromaticContact CZ-NE1 3.45Å; Y115-W127 PolarHBondContact OH-NE1 3.17Å; Y115-Q187 HydrophobicContact CD1-CB 4.17Å; Y115-Q187 HydrophobicContact CE1-CB 4.27Å; Y115-Q187 VanDerWaalsContact CE1-O 3.3Å; Y115-Q187 WeakPolarHBondContact CE1-O 3.39Å; Y115-N191 HydrophobicContact CD1-CB 3.85Å; Y115-N191 HydrophobicContact CD2-CB 4.25Å; Y115-N191 HydrophobicContact CE1-CB 3.41Å; Y115-N191 VanDerWaalsContact CE1-CB 3.41Å; Y115-N191 HydrophobicContact CE2-CB 3.83Å; Y115-N191 WeakPolarHBondContact CE2-OD1 3.33Å; Y115-N191 HydrophobicContact CG-CB 4.25Å; Y115-N191 VanDerWaalsContact CZ-CG 3.4Å; Y115-N191 VanDerWaalsContact CZ-OD1 3.31Å; Y115-N191 PolarHBondContact OH-OD1 3.23Å; Y115-I394 WeakPolarHBondContact O-CG2 3.27Å |
| 116 | T | 96.3 | Very high | 88.5 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 23.9 | 178.4 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | S114 W188 K395 | S114-T116 PolarHBondContact O-N 3.19Å; S114-T116 PolarHBondContact OG-N 2.86Å; S114-T116 PolarHBondContact OG-OG1 3.49Å; T116-W188 HydrophobicContact CG2-CZ3 4.05Å; T116-K395 HydrophobicContact CG2-CB 4.19Å |
| 117 | K | 96.3 | Very high | 89.7 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -138.5 | 159.5 | 176.2 | -66.1 | -168.8 | 175.9 | -116.8 | 0 | 110.7 | S106 G107 A108 P110 S114 N119 E391 | S106-K117 PolarHBondContact O-NZ 3.06Å; S106-K117 WeakPolarHBondContact OG-CE 3.16Å; S106-K117 PolarHBondContact OG-NZ 3.32Å; G107-K117 PolarHBondContact O-NZ 3.38Å; A108-K117 PolarHBondContact O-NZ 3.44Å; P110-K117 VanDerWaalsContact CD-CE 3.43Å; P110-K117 HydrophobicContact CG-CD 4.05Å; S114-K117 PolarHBondContact O-N 3.45Å; K117-N119 PolarHBondContact O-N 2.91Å; K117-N119 PolarHBondContact O-ND2 3.38Å; K117-E391 WeakPolarHBondContact CA-OE1 3.39Å; K117-E391 WeakPolarHBondContact CB-OE1 3.41Å; K117-E391 WeakPolarHBondContact CG-OE1 3.29Å; K117-E391 IonicContact NZ-OE2 3.48Å |
| 118 | Y | 97.3 | Very high | 91 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | trans | -83 | 102.3 | 172.6 | -63.4 | -59.7 | 0 | 0 | 0 | 110.3 | Q103 W180 I181 A184 L389 E391 I394 | Q103-Y118 HydrophobicContact CG-CD2 3.84Å; Q103-Y118 HydrophobicContact CG-CE2 3.57Å; Y118-W180 HydrophobicContact CD1-CB 3.53Å; Y118-W180 HydrophobicContact CD1-CE3 4.41Å; Y118-W180 HydrophobicContact CD1-CG 4.5Å; Y118-W180 AromaticContact CD2-CE3 3.86Å; Y118-W180 HydrophobicContact CD2-CE3 3.86Å; Y118-W180 HydrophobicContact CE1-CB 3.67Å; Y118-W180 WeakPolarHBondContact CE1-O 3.14Å; Y118-W180 HydrophobicContact CG-CB 4.06Å; Y118-W180 HydrophobicContact CG-CD2 4.46Å; Y118-W180 AromaticContact CG-CE3 3.75Å; Y118-W180 HydrophobicContact CG-CE3 3.75Å; Y118-I181 HydrophobicContact CE1-CB 4.47Å; Y118-A184 HydrophobicContact CD1-CB 4.32Å; Y118-A184 HydrophobicContact CE1-CB 4.26Å; Y118-L389 WeakPolarHBondContact CE2-O 3.48Å; Y118-L389 PolarHBondContact OH-O 3.39Å; Y118-E391 HydrophobicContact CD2-CG 3.78Å; Y118-E391 HydrophobicContact CE2-CG 4.06Å; Y118-E391 PolarHBondContact N-OE1 3.36Å; Y118-I394 HydrophobicContact CD1-CD1 3.88Å; Y118-I394 HydrophobicContact CD2-CD1 4.2Å; Y118-I394 HydrophobicContact CE1-CD1 3.68Å; Y118-I394 HydrophobicContact CE1-CG1 3.85Å; Y118-I394 HydrophobicContact CE2-CD1 4.01Å; Y118-I394 HydrophobicContact CE2-CG1 4.37Å; Y118-I394 HydrophobicContact CG-CD1 4.15Å | ||
| 119 | N | 97.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | trans | -79.6 | 138.6 | -178 | -56.2 | -74.9 | 0 | 0 | 0 | 111.2 | H113 S114 K117 E123 I124 Q187 Y223 | H113-N119 WeakPolarHBondContact CA-OD1 3.41Å; H113-N119 PolarHBondContact CD2-ND2 3.17Å; H113-N119 PolarHBondContact NE2-ND2 2.87Å; S114-N119 PolarHBondContact N-OD1 2.83Å; S114-N119 PolarHBondContact O-ND2 3.45Å; S114-N119 PolarHBondContact O-OD1 2.7Å; K117-N119 PolarHBondContact O-N 2.91Å; K117-N119 PolarHBondContact O-ND2 3.38Å; N119-E123 WeakPolarHBondContact CA-OE2 3.42Å; N119-E123 HydrophobicContact CB-CB 3.97Å; N119-I124 HydrophobicContact CB-CD1 4.38Å; N119-I124 HydrophobicContact CB-CG1 3.78Å; N119-Q187 PolarHBondContact ND2-OE1 3.27Å; N119-Y223 WeakPolarHBondContact O-CE1 3.21Å; N119-Y223 PolarHBondContact O-OH 2.82Å | ||
| 120 | T | 97.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | trans | -62.1 | 161 | 168.1 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | S122 E123 I124 | T120-S122 VanDerWaalsContact C-N 3.27Å; T120-S122 PolarHBondContact O-N 3.22Å; T120-S122 PolarHBondContact OG1-OG 3.02Å; T120-E123 WeakPolarHBondContact CB-OE2 3.5Å; T120-E123 PolarHBondContact N-OE2 3.16Å; T120-E123 PolarHBondContact O-N 2.87Å; T120-E123 VanDerWaalsContact O-N 3.1Å; T120-E123 VanDerWaalsContact OG1-CD 3.25Å; T120-E123 WeakPolarHBondContact OG1-CG 2.87Å; T120-E123 PolarHBondContact OG1-N 3.21Å; T120-E123 PolarHBondContact OG1-OE2 3.26Å; T120-I124 WeakPolarHBondContact O-CG1 3.43Å; T120-I124 PolarHBondContact O-N 3.36Å | ||
| 121 | W | 97.8 | Very high | 95.2 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.5 | -41.2 | 175.4 | 171.3 | -113.2 | 0 | 0 | 0 | 112.8 | E123 I124 E125 S152 V154 V217 V220 Y223 V224 | W121-E123 VanDerWaalsContact C-N 3.26Å; W121-E123 PolarHBondContact O-N 3.04Å; W121-I124 HydrophobicContact CE3-CB 4.27Å; W121-I124 HydrophobicContact CE3-CG2 4.32Å; W121-I124 HydrophobicContact CZ3-CG2 4.16Å; W121-I124 PolarHBondContact O-N 3.01Å; W121-E125 HydrophobicContact CD2-CB 4.4Å; W121-E125 HydrophobicContact CH2-CB 4.46Å; W121-E125 HydrophobicContact CZ2-CB 3.97Å; W121-E125 HydrophobicContact CZ2-CG 4.16Å; W121-E125 WeakPolarHBondContact O-CB 3.44Å; W121-E125 PolarHBondContact O-N 3.38Å; W121-S152 WeakPolarHBondContact CZ2-O 3.38Å; W121-V154 HydrophobicContact CH2-CG2 4.36Å; W121-V217 HydrophobicContact CE3-CB 4.26Å; W121-V217 HydrophobicContact CE3-CG2 4.13Å; W121-V217 HydrophobicContact CZ3-CB 4.03Å; W121-V217 HydrophobicContact CZ3-CG2 4.12Å; W121-V220 HydrophobicContact CB-CG1 4.43Å; W121-V220 HydrophobicContact CD2-CG1 3.28Å; W121-V220 HydrophobicContact CE3-CG1 3.71Å; W121-V220 HydrophobicContact CE3-CG2 4.35Å; W121-V220 HydrophobicContact CG-CG1 3.58Å; W121-V220 HydrophobicContact CH2-CG1 4.23Å; W121-V220 HydrophobicContact CH2-CG2 4.02Å; W121-V220 HydrophobicContact CZ2-CG1 3.88Å; W121-V220 HydrophobicContact CZ2-CG2 4.33Å; W121-V220 HydrophobicContact CZ3-CG1 4.16Å; W121-V220 HydrophobicContact CZ3-CG2 4.05Å; W121-Y223 HydrophobicContact CB-CD1 4.36Å; W121-V224 HydrophobicContact CB-CG2 3.51Å; W121-V224 HydrophobicContact CG-CG2 4Å |
| 122 | S | 96.4 | Very high | 96.7 | Very high | 78 Ų | 78 | 37.8 Ų | 37.8 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -36.5 | 178.9 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | T120 A126 | T120-S122 VanDerWaalsContact C-N 3.27Å; T120-S122 PolarHBondContact O-N 3.22Å; T120-S122 PolarHBondContact OG1-OG 3.02Å; S122-A126 VanDerWaalsContact O-CB 3.29Å; S122-A126 WeakPolarHBondContact O-CB 3.26Å; S122-A126 PolarHBondContact O-N 3.04Å |
| 123 | E | 97.5 | Very high | 97.4 | Very high | 50 Ų | 50 | 39 Ų | 39 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.4 | -40.6 | 176.8 | -70.8 | 161.5 | 146.3 | 0 | 0 | 111.1 | N119 T120 W121 W127 | N119-E123 WeakPolarHBondContact CA-OE2 3.42Å; N119-E123 HydrophobicContact CB-CB 3.97Å; T120-E123 WeakPolarHBondContact CB-OE2 3.5Å; T120-E123 PolarHBondContact N-OE2 3.16Å; T120-E123 PolarHBondContact O-N 2.87Å; T120-E123 VanDerWaalsContact O-N 3.1Å; T120-E123 VanDerWaalsContact OG1-CD 3.25Å; T120-E123 WeakPolarHBondContact OG1-CG 2.87Å; T120-E123 PolarHBondContact OG1-N 3.21Å; T120-E123 PolarHBondContact OG1-OE2 3.26Å; W121-E123 VanDerWaalsContact C-N 3.26Å; W121-E123 PolarHBondContact O-N 3.04Å; E123-W127 WeakPolarHBondContact O-CB 3.14Å; E123-W127 PolarHBondContact O-N 3.17Å |
| 124 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 175.3 | -62.2 | 173.9 | 0 | 0 | 0 | 110.3 | N119 T120 W121 A126 W127 T128 P216 V217 Y223 | N119-I124 HydrophobicContact CB-CD1 4.38Å; N119-I124 HydrophobicContact CB-CG1 3.78Å; T120-I124 WeakPolarHBondContact O-CG1 3.43Å; T120-I124 PolarHBondContact O-N 3.36Å; W121-I124 HydrophobicContact CE3-CB 4.27Å; W121-I124 HydrophobicContact CE3-CG2 4.32Å; W121-I124 HydrophobicContact CZ3-CG2 4.16Å; W121-I124 PolarHBondContact O-N 3.01Å; I124-A126 PolarHBondContact O-N 2.73Å; I124-W127 HydrophobicContact CG2-CE3 4.2Å; I124-W127 WeakPolarHBondContact O-CB 3.42Å; I124-W127 PolarHBondContact O-N 3.23Å; I124-W127 VanDerWaalsContact O-N 3.15Å; I124-T128 WeakPolarHBondContact O-CG2 3.22Å; I124-T128 PolarHBondContact O-N 2.93Å; I124-P216 HydrophobicContact CG2-CB 4.3Å; I124-V217 HydrophobicContact CD1-CG2 3.84Å; I124-V217 HydrophobicContact CG2-CG2 4.36Å; I124-Y223 HydrophobicContact CD1-CE1 3.76Å |
| 125 | E | 97.6 | Very high | 97.6 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 178.4 | -175 | 175.6 | -136.3 | 0 | 0 | 111 | W121 W127 T128 N129 | W121-E125 HydrophobicContact CD2-CB 4.4Å; W121-E125 HydrophobicContact CH2-CB 4.46Å; W121-E125 HydrophobicContact CZ2-CB 3.97Å; W121-E125 HydrophobicContact CZ2-CG 4.16Å; W121-E125 WeakPolarHBondContact O-CB 3.44Å; W121-E125 PolarHBondContact O-N 3.38Å; E125-W127 VanDerWaalsContact C-N 3.32Å; E125-W127 PolarHBondContact O-N 3.39Å; E125-T128 PolarHBondContact O-N 2.89Å; E125-T128 PolarHBondContact O-OG1 2.9Å; E125-N129 PolarHBondContact O-N 3.03Å; E125-N129 PolarHBondContact O-ND2 2.85Å |
| 126 | A | 97.6 | Very high | 97.6 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S122 I124 T128 N129 T130 | S122-A126 VanDerWaalsContact O-CB 3.29Å; S122-A126 WeakPolarHBondContact O-CB 3.26Å; S122-A126 PolarHBondContact O-N 3.04Å; I124-A126 PolarHBondContact O-N 2.73Å; A126-T128 PolarHBondContact O-N 3.3Å; A126-N129 WeakPolarHBondContact O-CB 3.08Å; A126-N129 PolarHBondContact O-N 2.93Å; A126-T130 PolarHBondContact O-N 2.92Å; A126-T130 VanDerWaalsContact O-N 3.13Å; A126-T130 PolarHBondContact O-OG1 2.81Å |
| 127 | W | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 175.9 | 164.4 | 84.7 | 0 | 0 | 0 | 112.4 | H113 Y115 E123 I124 E125 N129 T130 I131 L156 Q187 V190 P216 | H113-W127 HydrophobicContact CB-CB 4.18Å; H113-W127 AromaticContact CD2-CD1 3.84Å; H113-W127 AromaticContact CD2-CG 3.66Å; H113-W127 AromaticContact CE1-CD1 3.48Å; H113-W127 VanDerWaalsContact CE1-CD1 3.48Å; H113-W127 AromaticContact CE1-CG 3.98Å; H113-W127 AromaticContact CE1-NE1 3.74Å; H113-W127 AromaticContact CG-CD1 3.71Å; H113-W127 AromaticContact CG-CG 3.89Å; H113-W127 AromaticContact ND1-CD1 3.47Å; H113-W127 AromaticContact NE2-CD1 3.69Å; H113-W127 AromaticContact NE2-CG 3.72Å; Y115-W127 HydrophobicContact CE1-CZ2 4.15Å; Y115-W127 AromaticContact CE1-NE1 3.53Å; Y115-W127 AromaticContact CZ-NE1 3.45Å; Y115-W127 PolarHBondContact OH-NE1 3.17Å; E123-W127 WeakPolarHBondContact O-CB 3.14Å; E123-W127 PolarHBondContact O-N 3.17Å; I124-W127 HydrophobicContact CG2-CE3 4.2Å; I124-W127 WeakPolarHBondContact O-CB 3.42Å; I124-W127 PolarHBondContact O-N 3.23Å; I124-W127 VanDerWaalsContact O-N 3.15Å; E125-W127 VanDerWaalsContact C-N 3.32Å; E125-W127 PolarHBondContact O-N 3.39Å; W127-N129 PolarHBondContact O-N 2.81Å; W127-T130 PolarHBondContact O-N 2.85Å; W127-I131 HydrophobicContact CD2-CG2 4.4Å; W127-I131 HydrophobicContact CZ2-CB 4.49Å; W127-I131 HydrophobicContact CZ2-CG1 4.46Å; W127-I131 HydrophobicContact CZ2-CG2 4.19Å; W127-I131 WeakPolarHBondContact O-CG2 3.18Å; W127-I131 PolarHBondContact O-N 3.01Å; W127-L156 HydrophobicContact CH2-CD1 3.71Å; W127-L156 HydrophobicContact CZ3-CD1 3.83Å; W127-Q187 HydrophobicContact CE3-CG 4.16Å; W127-Q187 HydrophobicContact CH2-CB 4.18Å; W127-Q187 HydrophobicContact CH2-CG 3.98Å; W127-Q187 HydrophobicContact CZ2-CB 4.24Å; W127-Q187 HydrophobicContact CZ2-CG 4.37Å; W127-Q187 HydrophobicContact CZ3-CG 3.86Å; W127-V190 HydrophobicContact CH2-CB 3.88Å; W127-V190 HydrophobicContact CH2-CG1 4.07Å; W127-V190 HydrophobicContact CH2-CG2 4.08Å; W127-V190 HydrophobicContact CZ2-CB 3.86Å; W127-V190 HydrophobicContact CZ2-CG1 3.88Å; W127-P216 HydrophobicContact CZ3-CB 4.38Å; W127-P216 HydrophobicContact CZ3-CG 3.97Å |
| 128 | T | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59 | -34.3 | 177.2 | 67 | 0 | 0 | 0 | 0 | 112.3 | I124 E125 A126 T132 V154 L156 | I124-T128 WeakPolarHBondContact O-CG2 3.22Å; I124-T128 PolarHBondContact O-N 2.93Å; E125-T128 PolarHBondContact O-N 2.89Å; E125-T128 PolarHBondContact O-OG1 2.9Å; A126-T128 PolarHBondContact O-N 3.3Å; T128-T132 VanDerWaalsContact O-CB 3.28Å; T128-T132 WeakPolarHBondContact O-CB 3.37Å; T128-T132 PolarHBondContact O-N 2.7Å; T128-T132 PolarHBondContact O-OG1 2.93Å; T128-V154 HydrophobicContact CG2-CB 4.46Å; T128-V154 HydrophobicContact CG2-CG1 4.02Å; T128-L156 HydrophobicContact CG2-CD1 4.42Å; T128-L156 HydrophobicContact CG2-CD2 4.33Å |
| 129 | N | 97.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 44 Ų | 44 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 173.9 | -64.8 | -50.1 | 0 | 0 | 0 | 111.4 | E125 A126 W127 S133 K141 | E125-N129 PolarHBondContact O-N 3.03Å; E125-N129 PolarHBondContact O-ND2 2.85Å; A126-N129 WeakPolarHBondContact O-CB 3.08Å; A126-N129 PolarHBondContact O-N 2.93Å; W127-N129 PolarHBondContact O-N 2.81Å; N129-S133 WeakPolarHBondContact O-CB 3.24Å; N129-S133 PolarHBondContact O-N 2.77Å; N129-S133 PolarHBondContact O-OG 2.71Å; N129-K141 PolarHBondContact OD1-NZ 2.94Å |
| 130 | T | 97.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -48.6 | -177.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | A126 W127 T132 S133 S134 | A126-T130 PolarHBondContact O-N 2.92Å; A126-T130 VanDerWaalsContact O-N 3.13Å; A126-T130 PolarHBondContact O-OG1 2.81Å; W127-T130 PolarHBondContact O-N 2.85Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 2.92Å; T130-S133 PolarHBondContact O-N 2.89Å; T130-S133 PolarHBondContact O-OG 2.81Å; T130-S133 VanDerWaalsContact O-OG 3.12Å; T130-S134 VanDerWaalsContact O-CB 3.23Å; T130-S134 WeakPolarHBondContact O-CB 3.44Å; T130-S134 PolarHBondContact O-N 3.3Å; T130-S134 PolarHBondContact O-OG 3.02Å |
| 131 | I | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -36.4 | -177.2 | -163 | 66.8 | 0 | 0 | 0 | 111.6 | W127 N135 L156 V190 V194 | W127-I131 HydrophobicContact CD2-CG2 4.4Å; W127-I131 HydrophobicContact CZ2-CB 4.49Å; W127-I131 HydrophobicContact CZ2-CG1 4.46Å; W127-I131 HydrophobicContact CZ2-CG2 4.19Å; W127-I131 WeakPolarHBondContact O-CG2 3.18Å; W127-I131 PolarHBondContact O-N 3.01Å; I131-N135 WeakPolarHBondContact O-CB 3.26Å; I131-N135 PolarHBondContact O-N 3.12Å; I131-N135 PolarHBondContact O-ND2 2.82Å; I131-L156 HydrophobicContact CG2-CD1 4.33Å; I131-V190 HydrophobicContact CG1-CG1 3.87Å; I131-V194 HydrophobicContact CD1-CG2 4.48Å |
| 132 | T | 97.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 51 Ų | 51 | 14% | 0.135 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.1 | -49 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | T128 T130 S134 N135 K141 | T128-T132 VanDerWaalsContact O-CB 3.28Å; T128-T132 WeakPolarHBondContact O-CB 3.37Å; T128-T132 PolarHBondContact O-N 2.7Å; T128-T132 PolarHBondContact O-OG1 2.93Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 2.92Å; T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact O-N 2.85Å; T132-N135 CarbonylContact O-C 3.53Å; T132-N135 PolarHBondContact O-N 2.82Å; T132-K141 HydrophobicContact CG2-CG 4.25Å |
| 133 | S | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 52 Ų | 52 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70 | -28.5 | -177.1 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | N129 T130 | N129-S133 WeakPolarHBondContact O-CB 3.24Å; N129-S133 PolarHBondContact O-N 2.77Å; N129-S133 PolarHBondContact O-OG 2.71Å; T130-S133 PolarHBondContact O-N 2.89Å; T130-S133 PolarHBondContact O-OG 2.81Å; T130-S133 VanDerWaalsContact O-OG 3.12Å |
| 134 | S | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 50.9 Ų | 50.9 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -80.9 | -20.2 | 177.4 | -62.3 | 0 | 0 | 0 | 0 | 113 | T130 T132 P136 | T130-S134 VanDerWaalsContact O-CB 3.23Å; T130-S134 WeakPolarHBondContact O-CB 3.44Å; T130-S134 PolarHBondContact O-N 3.3Å; T130-S134 PolarHBondContact O-OG 3.02Å; T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact O-N 2.85Å; S134-P136 VanDerWaalsContact C-CD 3.46Å |
| 135 | N | 98.1 | Very high | 97.9 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.203 | 31% | 0.31 | C | S | . | . | trans | -133 | 50.3 | -175.3 | -53.7 | -79.5 | 0 | 0 | 0 | 113.1 | I131 T132 S137 L138 V139 V194 | I131-N135 WeakPolarHBondContact O-CB 3.26Å; I131-N135 PolarHBondContact O-N 3.12Å; I131-N135 PolarHBondContact O-ND2 2.82Å; T132-N135 CarbonylContact O-C 3.53Å; T132-N135 PolarHBondContact O-N 2.82Å; N135-S137 PolarHBondContact O-N 3.12Å; N135-L138 PolarHBondContact O-N 2.88Å; N135-V139 HydrophobicContact CB-CB 4.41Å; N135-V139 HydrophobicContact CB-CG2 4.09Å; N135-V139 PolarHBondContact O-N 3.13Å; N135-V194 HydrophobicContact CB-CG1 4.15Å; N135-V194 HydrophobicContact CB-CG2 4.36Å; N135-V194 WeakPolarHBondContact OD1-CG1 3.43Å | ||
| 136 | P | 97 | Very high | 97.9 | Very high | 98 Ų | 98 | 52.2 Ų | 52.2 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.7 | -170.5 | 29.1 | -37.4 | 0 | 0 | 0 | 114.3 | S134 | S134-P136 VanDerWaalsContact C-CD 3.46Š|
| 137 | S | 95.8 | Very high | 98 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16.9 | 175.1 | 57 | 0 | 0 | 0 | 0 | 113.9 | N135 | N135-S137 PolarHBondContact O-N 3.12Š|
| 138 | L | 97.6 | Very high | 98 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | -31.1 | -176.3 | -69.4 | 176.1 | 0 | 0 | 0 | 113.2 | N135 I158 G159 K160 Y197 | N135-L138 PolarHBondContact O-N 2.88Å; L138-I158 CarbonylContact O-C 3.1Å; L138-I158 VanDerWaalsContact O-CA 3.31Å; L138-I158 WeakPolarHBondContact O-CA 3.4Å; L138-G159 PolarHBondContact O-N 3.24Å; L138-G159 VanDerWaalsContact O-O 3.13Å; L138-K160 HydrophobicContact CD2-CB 4.44Å; L138-Y197 HydrophobicContact CD1-CD1 3.52Å; L138-Y197 HydrophobicContact CD1-CE1 4.14Å; L138-Y197 HydrophobicContact CD1-CG 3.71Å; L138-Y197 HydrophobicContact CD2-CD1 3.97Å; L138-Y197 HydrophobicContact CD2-CD2 4.15Å; L138-Y197 HydrophobicContact CD2-CE1 3.83Å; L138-Y197 HydrophobicContact CD2-CE2 4.03Å; L138-Y197 HydrophobicContact CD2-CG 4.11Å; L138-Y197 HydrophobicContact CG-CD1 4.29Å; L138-Y197 HydrophobicContact CG-CE1 4.44Å |
| 139 | V | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.7 | -173 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | N135 L156 K157 I158 V194 | N135-V139 HydrophobicContact CB-CB 4.41Å; N135-V139 HydrophobicContact CB-CG2 4.09Å; N135-V139 PolarHBondContact O-N 3.13Å; V139-L156 HydrophobicContact CG1-CD2 4.41Å; V139-K157 WeakPolarHBondContact CA-O 3.29Å; V139-I158 HydrophobicContact CG2-CG1 4.29Å; V139-I158 HydrophobicContact CG2-CG2 4.48Å; V139-V194 HydrophobicContact CG2-CG2 3.54Å |
| 140 | S | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 163.5 | 165.9 | 57.9 | 0 | 0 | 0 | 0 | 108.9 | L156 K157 | S140-L156 CarbonylContact O-C 3.29Å; S140-L156 WeakPolarHBondContact O-CA 3.5Å; S140-K157 PolarHBondContact N-O 3.43Å; S140-K157 PolarHBondContact O-N 3.32Å |
| 141 | K | 97.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.3 | 177 | 73.2 | 176.4 | -172.2 | 151.1 | 0 | 111.3 | N129 T132 V154 L155 L156 | N129-K141 PolarHBondContact OD1-NZ 2.94Å; T132-K141 HydrophobicContact CG2-CG 4.25Å; K141-V154 HydrophobicContact CB-CG1 4.21Å; K141-V154 HydrophobicContact CD-CG1 4.16Å; K141-L155 CarbonylContact C-O 3.58Å; K141-L155 WeakPolarHBondContact CA-O 3.49Å; K141-L156 HydrophobicContact CB-CD2 3.68Å |
| 142 | Q | 97.7 | Very high | 98.1 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 150 | 172.5 | 64.7 | -171.5 | -29.7 | 0 | 0 | 109.9 | I144 L155 F289 | Q142-I144 HydrophobicContact CG-CG2 4.06Å; Q142-L155 HydrophobicContact CG-CB 3.94Å; Q142-L155 HydrophobicContact CG-CD2 4.26Å; Q142-L155 HydrophobicContact CG-CG 4.45Å; Q142-L155 PolarHBondContact N-O 2.87Å; Q142-L155 VanDerWaalsContact NE2-CD2 3.32Å; Q142-L155 PolarHBondContact O-N 3.11Å; Q142-F289 VanDerWaalsContact NE2-CZ 3.31Å |
| 143 | I | 98.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 117.9 | 171.1 | -61.7 | 171.1 | 0 | 0 | 0 | 106.6 | G145 M153 | I143-G145 VanDerWaalsContact C-N 3.34Å; I143-G145 WeakPolarHBondContact CG2-O 3.39Å; I143-M153 WeakPolarHBondContact CA-O 3.35Å |
| 144 | I | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.138 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -5.2 | -178.6 | 60.5 | 171.1 | 0 | 0 | 0 | 113.1 | Q142 M153 L155 L215 V286 F289 | Q142-I144 HydrophobicContact CG-CG2 4.06Å; I144-M153 HydrophobicContact CD1-CB 4.41Å; I144-M153 HydrophobicContact CD1-CE 4.43Å; I144-M153 HydrophobicContact CG1-CB 3.79Å; I144-M153 PolarHBondContact N-O 3.29Å; I144-M153 VanDerWaalsContact N-O 3.07Å; I144-L155 HydrophobicContact CG2-CB 3.73Å; I144-L155 HydrophobicContact CG2-CD2 3.66Å; I144-L155 HydrophobicContact CG2-CG 4.34Å; I144-L215 HydrophobicContact CD1-CD1 4.36Å; I144-L215 HydrophobicContact CD1-CD2 4.26Å; I144-V286 HydrophobicContact CD1-CG2 3.79Å; I144-F289 HydrophobicContact CG2-CB 4.44Å; I144-F289 HydrophobicContact CG2-CD2 3.68Å; I144-F289 HydrophobicContact CG2-CE2 4.28Å; I144-F289 HydrophobicContact CG2-CG 4.14Å |
| 145 | G | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.2 | -172 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I143 M153 | I143-G145 VanDerWaalsContact C-N 3.34Å; I143-G145 WeakPolarHBondContact CG2-O 3.39Å; G145-M153 WeakPolarHBondContact O-CB 3.44Å; G145-M153 PolarHBondContact O-N 3.11Å |
| 146 | N | 98.8 | Very high | 98.3 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 43% | 0.428 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 153.7 | 175.5 | -62.2 | -16.4 | 0 | 0 | 0 | 110.2 | R151 I281 N285 | N146-R151 CarbonylContact C-O 3.54Å; N146-R151 WeakPolarHBondContact CA-O 3.42Å; N146-I281 WeakPolarHBondContact O-CG2 3.37Å; N146-N285 PolarHBondContact N-ND2 3.08Å; N146-N285 PolarHBondContact O-ND2 2.99Å |
| 147 | T | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | trans | -70.7 | 173.1 | 169.6 | 64.4 | 0 | 0 | 0 | 0 | 112 | E149 G150 R151 M153 V220 D221 E282 | T147-E149 VanDerWaalsContact C-N 3.3Å; T147-E149 PolarHBondContact O-N 3.45Å; T147-G150 WeakPolarHBondContact O-CA 3.41Å; T147-G150 PolarHBondContact O-N 2.59Å; T147-G150 PolarHBondContact OG1-N 2.78Å; T147-R151 HydrophobicContact CG2-CB 4.39Å; T147-R151 PolarHBondContact N-O 3.01Å; T147-R151 WeakPolarHBondContact OG1-CB 3.22Å; T147-R151 PolarHBondContact OG1-N 3.33Å; T147-R151 PolarHBondContact OG1-O 3.25Å; T147-M153 HydrophobicContact CG2-CG 3.9Å; T147-V220 HydrophobicContact CG2-CB 3.71Å; T147-V220 HydrophobicContact CG2-CG2 3.95Å; T147-D221 VanDerWaalsContact CB-CG 3.46Å; T147-D221 VanDerWaalsContact CB-OD1 3.26Å; T147-D221 WeakPolarHBondContact CB-OD1 3.44Å; T147-D221 VanDerWaalsContact CB-OD2 3.24Å; T147-D221 WeakPolarHBondContact CB-OD2 3.39Å; T147-D221 PolarHBondContact OG1-OD1 3.42Å; T147-D221 PolarHBondContact OG1-OD2 3.17Å; T147-D221 VanDerWaalsContact OG1-OD2 3.11Å; T147-E282 WeakPolarHBondContact CA-OE1 3.39Å; T147-E282 WeakPolarHBondContact CB-OE1 3.46Å; T147-E282 HydrophobicContact CG2-CG 3.97Å | ||
| 148 | Y | 98.8 | Very high | 98.5 | Very high | 108 Ų | 108 | 41.9 Ų | 41.9 | 42% | 0.424 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -42.5 | 177.3 | -178 | -93.7 | 0 | 0 | 0 | 112.8 | G150 D221 R237 R239 E282 | Y148-G150 PolarHBondContact O-N 3.47Å; Y148-D221 PolarHBondContact N-OD2 3.39Å; Y148-R237 WeakPolarHBondContact CD1-O 3.4Å; Y148-R239 HydrophobicContact CE1-CG 4.16Å; Y148-R239 WeakPolarHBondContact OH-CB 3.28Å; Y148-R239 WeakPolarHBondContact OH-CG 3.41Å; Y148-E282 PolarHBondContact N-OE1 3.12Å |
| 149 | E | 98.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.4 | 177 | -59.8 | -175.3 | 164.9 | 0 | 0 | 113.1 | T147 R151 D221 R237 | T147-E149 VanDerWaalsContact C-N 3.3Å; T147-E149 PolarHBondContact O-N 3.45Å; E149-R151 IonicContact OE2-CZ 3.19Å; E149-R151 IonicContact OE2-NH1 3.54Å; E149-R151 PolarHBondContact OE2-NH1 2.96Å; E149-R151 IonicContact OE2-NH2 2.67Å; E149-R151 PolarHBondContact OE2-NH2 2.82Å; E149-D221 WeakPolarHBondContact CB-OD2 3.31Å; E149-D221 HydrophobicContact CG-CB 4.28Å; E149-D221 WeakPolarHBondContact CG-OD2 3.43Å; E149-D221 PolarHBondContact N-OD2 3.34Å; E149-R237 HydrophobicContact CG-CB 4.35Å |
| 150 | G | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 89 | 17.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T147 Y148 | T147-G150 WeakPolarHBondContact O-CA 3.41Å; T147-G150 PolarHBondContact O-N 2.59Å; T147-G150 PolarHBondContact OG1-N 2.78Å; Y148-G150 PolarHBondContact O-N 3.47Å |
| 151 | R | 98.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 25% | 0.253 | 26% | 0.256 | S | S | . | . | trans | -83 | 145 | 175.8 | -59.5 | -175.5 | -177.6 | 82.5 | 0.9 | 110.7 | N146 T147 E149 M153 V220 D221 | N146-R151 CarbonylContact C-O 3.54Å; N146-R151 WeakPolarHBondContact CA-O 3.42Å; T147-R151 HydrophobicContact CG2-CB 4.39Å; T147-R151 PolarHBondContact N-O 3.01Å; T147-R151 WeakPolarHBondContact OG1-CB 3.22Å; T147-R151 PolarHBondContact OG1-N 3.33Å; T147-R151 PolarHBondContact OG1-O 3.25Å; E149-R151 IonicContact OE2-CZ 3.19Å; E149-R151 IonicContact OE2-NH1 3.54Å; E149-R151 PolarHBondContact OE2-NH1 2.96Å; E149-R151 IonicContact OE2-NH2 2.67Å; E149-R151 PolarHBondContact OE2-NH2 2.82Å; R151-M153 PolarHBondContact O-N 2.94Å; R151-V220 HydrophobicContact CB-CB 4.41Å; R151-V220 HydrophobicContact CB-CG1 3.95Å; R151-V220 HydrophobicContact CG-CG1 4.44Å; R151-D221 IonicContact CZ-OD1 2.69Å; R151-D221 VanDerWaalsContact NH1-CG 3.34Å; R151-D221 IonicContact NH1-OD1 3.41Å; R151-D221 PolarHBondContact NH1-OD1 2.78Å | ||
| 152 | S | 98.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.8 | -178.3 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | W121 V154 | W121-S152 WeakPolarHBondContact CZ2-O 3.38Å; S152-V154 PolarHBondContact O-N 2.86Å |
| 153 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 99.5 | 167.8 | -63.9 | 179.4 | 74.7 | 0 | 0 | 109.2 | I143 I144 G145 T147 R151 L215 F218 E282 N285 V286 | I143-M153 WeakPolarHBondContact CA-O 3.35Å; I144-M153 HydrophobicContact CD1-CB 4.41Å; I144-M153 HydrophobicContact CD1-CE 4.43Å; I144-M153 HydrophobicContact CG1-CB 3.79Å; I144-M153 PolarHBondContact N-O 3.29Å; I144-M153 VanDerWaalsContact N-O 3.07Å; G145-M153 WeakPolarHBondContact O-CB 3.44Å; G145-M153 PolarHBondContact O-N 3.11Å; T147-M153 HydrophobicContact CG2-CG 3.9Å; R151-M153 PolarHBondContact O-N 2.94Å; M153-L215 HydrophobicContact CE-CD2 4.11Å; M153-F218 HydrophobicContact CE-CD2 4.46Å; M153-F218 WeakPolarHBondContact CE-O 3.42Å; M153-E282 HydrophobicContact CE-CB 3.93Å; M153-E282 HydrophobicContact CE-CG 4.37Å; M153-E282 HydrophobicContact SD-CB 4.02Å; M153-E282 HydrophobicContact SD-CG 4.06Å; M153-N285 HydrophobicContact SD-CB 3.95Å; M153-N285 PolarHBondContact SD-ND2 3.2Å; M153-V286 HydrophobicContact CE-CG2 3.96Å |
| 154 | V | 98.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 112.2 | -174.5 | -175 | 0 | 0 | 0 | 0 | 110.4 | W121 T128 K141 S152 L156 P216 | W121-V154 HydrophobicContact CH2-CG2 4.36Å; T128-V154 HydrophobicContact CG2-CB 4.46Å; T128-V154 HydrophobicContact CG2-CG1 4.02Å; K141-V154 HydrophobicContact CB-CG1 4.21Å; K141-V154 HydrophobicContact CD-CG1 4.16Å; S152-V154 PolarHBondContact O-N 2.86Å; V154-L156 HydrophobicContact CG1-CD2 4.44Å; V154-P216 WeakPolarHBondContact O-CD 3.2Å |
| 155 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.8 | 174.3 | -174.4 | 69.6 | 0 | 0 | 0 | 109.7 | K141 Q142 I144 F170 Y213 L215 F289 | K141-L155 CarbonylContact C-O 3.58Å; K141-L155 WeakPolarHBondContact CA-O 3.49Å; Q142-L155 HydrophobicContact CG-CB 3.94Å; Q142-L155 HydrophobicContact CG-CD2 4.26Å; Q142-L155 HydrophobicContact CG-CG 4.45Å; Q142-L155 PolarHBondContact N-O 2.87Å; Q142-L155 VanDerWaalsContact NE2-CD2 3.32Å; Q142-L155 PolarHBondContact O-N 3.11Å; I144-L155 HydrophobicContact CG2-CB 3.73Å; I144-L155 HydrophobicContact CG2-CD2 3.66Å; I144-L155 HydrophobicContact CG2-CG 4.34Å; L155-F170 HydrophobicContact CD1-CE2 3.82Å; L155-F170 HydrophobicContact CD1-CZ 4.06Å; L155-F170 HydrophobicContact CD2-CE2 3.99Å; L155-Y213 HydrophobicContact CD2-CD1 4.09Å; L155-Y213 HydrophobicContact CD2-CG 4.44Å; L155-Y213 HydrophobicContact CG-CD1 4.47Å; L155-L215 HydrophobicContact CD1-CB 3.75Å; L155-F289 HydrophobicContact CD2-CD1 3.87Å; L155-F289 HydrophobicContact CD2-CD2 3.99Å; L155-F289 HydrophobicContact CD2-CE1 3.52Å; L155-F289 HydrophobicContact CD2-CE2 3.68Å; L155-F289 HydrophobicContact CD2-CG 4.09Å; L155-F289 HydrophobicContact CD2-CZ 3.42Å; L155-F289 VanDerWaalsContact CD2-CZ 3.42Å |
| 156 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 138.7 | 173.1 | -60.4 | 178.8 | 0 | 0 | 0 | 109.4 | W127 T128 I131 V139 S140 K141 V154 I158 V190 Y213 V214 P216 | W127-L156 HydrophobicContact CH2-CD1 3.71Å; W127-L156 HydrophobicContact CZ3-CD1 3.83Å; T128-L156 HydrophobicContact CG2-CD1 4.42Å; T128-L156 HydrophobicContact CG2-CD2 4.33Å; I131-L156 HydrophobicContact CG2-CD1 4.33Å; V139-L156 HydrophobicContact CG1-CD2 4.41Å; S140-L156 CarbonylContact O-C 3.29Å; S140-L156 WeakPolarHBondContact O-CA 3.5Å; K141-L156 HydrophobicContact CB-CD2 3.68Å; V154-L156 HydrophobicContact CG1-CD2 4.44Å; L156-I158 HydrophobicContact CB-CD1 3.81Å; L156-V190 HydrophobicContact CD1-CG1 4.18Å; L156-V190 HydrophobicContact CD1-CG2 3.99Å; L156-Y213 CarbonylContact O-C 3.44Å; L156-Y213 VanDerWaalsContact O-CA 3.28Å; L156-Y213 WeakPolarHBondContact O-CA 3.14Å; L156-V214 HydrophobicContact CB-CB 4.46Å; L156-V214 PolarHBondContact N-O 3.05Å; L156-V214 PolarHBondContact O-N 3.26Å; L156-P216 HydrophobicContact CD1-CG 4.27Å |
| 157 | K | 98.6 | Very high | 96.6 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.9 | 169.1 | 176.9 | -173.3 | 179.9 | 173 | 0 | 107.7 | V139 S140 D211 Y213 | V139-K157 WeakPolarHBondContact CA-O 3.29Å; S140-K157 PolarHBondContact N-O 3.43Å; S140-K157 PolarHBondContact O-N 3.32Å; K157-D211 WeakPolarHBondContact CE-OD1 3.32Å; K157-D211 WeakPolarHBondContact CE-OD2 3.31Å; K157-D211 HydrophobicContact CG-CB 4.48Å; K157-D211 IonicContact NZ-OD1 3.81Å; K157-D211 IonicContact NZ-OD2 2.99Å; K157-D211 PolarHBondContact NZ-OD2 3.44Å; K157-Y213 HydrophobicContact CB-CD1 3.93Å; K157-Y213 HydrophobicContact CB-CE1 3.89Å; K157-Y213 HydrophobicContact CD-CE1 3.87Å; K157-Y213 HydrophobicContact CG-CD1 4.08Å; K157-Y213 HydrophobicContact CG-CE1 3.73Å |
| 158 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124 | -178.5 | -54.3 | 91.6 | 0 | 0 | 0 | 109.3 | L138 V139 L156 V190 A193 L207 V212 V214 | L138-I158 CarbonylContact O-C 3.1Å; L138-I158 VanDerWaalsContact O-CA 3.31Å; L138-I158 WeakPolarHBondContact O-CA 3.4Å; V139-I158 HydrophobicContact CG2-CG1 4.29Å; V139-I158 HydrophobicContact CG2-CG2 4.48Å; L156-I158 HydrophobicContact CB-CD1 3.81Å; I158-V190 HydrophobicContact CD1-CG2 3.88Å; I158-V190 HydrophobicContact CG1-CG1 4.38Å; I158-V190 HydrophobicContact CG1-CG2 4.33Å; I158-A193 HydrophobicContact CG2-CB 4.07Å; I158-L207 HydrophobicContact CG2-CD1 4Å; I158-L207 HydrophobicContact CG2-CD2 3.89Å; I158-V212 WeakPolarHBondContact CD1-O 3.35Å; I158-V212 PolarHBondContact N-O 2.83Å; I158-V212 PolarHBondContact O-N 2.98Å; I158-V214 HydrophobicContact CD1-CB 3.85Å; I158-V214 HydrophobicContact CD1-CG2 3.51Å |
| 159 | G | 98 | Very high | 96.6 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 157.9 | 154 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L138 S161 | L138-G159 PolarHBondContact O-N 3.24Å; L138-G159 VanDerWaalsContact O-O 3.13Å; G159-S161 PolarHBondContact O-N 2.93Å |
| 160 | K | 96.8 | Very high | 96.6 | Very high | 103 Ų | 103 | 40.8 Ų | 40.8 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | trans | -64.6 | 134.1 | 176.1 | -169.6 | 179.7 | -165.5 | 164.8 | 0 | 110.6 | L138 S162 K166 Y197 L207 N208 | L138-K160 HydrophobicContact CD2-CB 4.44Å; K160-S162 PolarHBondContact O-N 3.28Å; K160-K166 WeakPolarHBondContact O-CE 3.41Å; K160-K166 PolarHBondContact O-NZ 3.37Å; K160-Y197 WeakPolarHBondContact CD-OH 3.45Å; K160-L207 PolarHBondContact N-O 3.35Å; K160-N208 WeakPolarHBondContact CD-OD1 3.37Å | ||
| 161 | S | 91.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 38.5 Ų | 38.5 | 71% | 0.713 | 24% | 0.24 | S | C | * | . | trans | -54.4 | 133.5 | 174.5 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | G159 | G159-S161 PolarHBondContact O-N 2.93Š| ||
| 162 | S | 90.9 | Very high | 96.6 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 53% | 0.531 | 23% | 0.228 | S | C | . | . | trans | -132.6 | 150.5 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | K160 S164 | K160-S162 PolarHBondContact O-N 3.28Å; S162-S164 WeakPolarHBondContact CB-O 3.14Å; S162-S164 PolarHBondContact O-N 3.37Å; S162-S164 PolarHBondContact OG-N 3.27Å; S162-S164 PolarHBondContact OG-O 3.3Å; S162-S164 VanDerWaalsContact OG-O 3.05Å | ||
| 163 | A | 87.8 | Confident | 96.7 | Very high | 110 Ų | 110 | 33.9 Ų | 33.9 | 91% | 0.909 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -73.1 | -18.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 164 | S | 90.5 | Very high | 96.7 | Very high | 81 Ų | 81 | 34 Ų | 34 | 57% | 0.566 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -120.9 | 149.5 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | S162 K166 | S162-S164 WeakPolarHBondContact CB-O 3.14Å; S162-S164 PolarHBondContact O-N 3.37Å; S162-S164 PolarHBondContact OG-N 3.27Å; S162-S164 PolarHBondContact OG-O 3.3Å; S162-S164 VanDerWaalsContact OG-O 3.05Å; S164-K166 PolarHBondContact O-N 3.12Å |
| 165 | P | 93.4 | Very high | 96.7 | Very high | 113 Ų | 113 | 33.7 Ų | 33.7 | 73% | 0.734 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -56 | 131.4 | 174.7 | -23.4 | 33.5 | 0 | 0 | 0 | 111.3 | T296 | P165-T296 HydrophobicContact CB-CG2 3.96Š|
| 166 | K | 97.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -92.9 | 153.3 | 173.8 | -66.4 | -176.5 | -62.6 | 170.3 | 0 | 110.2 | K160 S164 L207 N208 M210 D211 | K160-K166 WeakPolarHBondContact O-CE 3.41Å; K160-K166 PolarHBondContact O-NZ 3.37Å; S164-K166 PolarHBondContact O-N 3.12Å; K166-L207 PolarHBondContact NZ-O 3.46Å; K166-L207 VanDerWaalsContact NZ-O 3.15Å; K166-N208 WeakPolarHBondContact CD-O 3.43Å; K166-M210 PolarHBondContact NZ-O 3.05Å; K166-D211 WeakPolarHBondContact CE-OD1 3.45Å; K166-D211 WeakPolarHBondContact CE-OD2 3.34Å; K166-D211 IonicContact NZ-OD1 2.8Å; K166-D211 PolarHBondContact NZ-OD1 2.93Å |
| 167 | P | 98.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 34 Ų | 34 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 147 | 162.2 | -20.2 | 31.5 | 0 | 0 | 0 | 110.5 | M210 D211 T296 K298 L416 | P167-M210 HydrophobicContact CB-CE 4.1Å; P167-M210 HydrophobicContact CB-CG 4.45Å; P167-M210 CarbonylContact O-C 3.57Å; P167-M210 WeakPolarHBondContact O-CA 3.46Å; P167-M210 WeakPolarHBondContact O-CB 3.22Å; P167-D211 PolarHBondContact O-N 3.48Å; P167-T296 CarbonylContact C-O 3.6Å; P167-T296 WeakPolarHBondContact CA-O 3.05Å; P167-K298 HydrophobicContact CB-CG 4.01Å; P167-L416 HydrophobicContact CB-CD1 4.42Å; P167-L416 HydrophobicContact CB-CD2 3.68Å; P167-L416 HydrophobicContact CG-CD1 3.76Å; P167-L416 HydrophobicContact CG-CD2 3.94Å; P167-L416 HydrophobicContact CG-CG 4.49Å |
| 168 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D211 Y213 T296 I297 K298 | A168-D211 CarbonylContact C-O 3.55Å; A168-D211 WeakPolarHBondContact CA-O 3.25Å; A168-D211 HydrophobicContact CB-CB 4.25Å; A168-Y213 HydrophobicContact CB-CD2 3.81Å; A168-Y213 HydrophobicContact CB-CE2 3.53Å; A168-T296 PolarHBondContact N-O 3.25Å; A168-I297 HydrophobicContact CB-CG1 4.32Å; A168-I297 CarbonylContact O-C 3.57Å; A168-I297 WeakPolarHBondContact O-CA 3.36Å; A168-K298 PolarHBondContact O-N 2.94Å |
| 169 | I | 98.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.2 | 163.5 | -57.5 | -179.8 | 0 | 0 | 0 | 106.7 | L206 M210 D211 V212 Y213 A299 L301 A409 | I169-L206 HydrophobicContact CD1-CD1 4.35Å; I169-M210 HydrophobicContact CD1-CE 4.25Å; I169-M210 HydrophobicContact CG1-CE 3.72Å; I169-D211 PolarHBondContact N-O 3.48Å; I169-V212 HydrophobicContact CB-CG1 4.31Å; I169-V212 HydrophobicContact CB-CG2 4.5Å; I169-V212 CarbonylContact O-C 3.58Å; I169-V212 WeakPolarHBondContact O-CA 3.42Å; I169-Y213 PolarHBondContact O-N 3.17Å; I169-A299 HydrophobicContact CB-CB 4.5Å; I169-A299 HydrophobicContact CG1-CB 4.14Å; I169-A299 HydrophobicContact CG2-CB 4.16Å; I169-L301 HydrophobicContact CG2-CD1 3.82Å; I169-L301 HydrophobicContact CG2-CG 3.97Å; I169-A409 HydrophobicContact CD1-CB 3.52Å |
| 170 | F | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.3 | 168.3 | -169.2 | -81.7 | 0 | 0 | 0 | 108.6 | L155 D172 Y213 V286 F289 I290 I297 A299 Y300 L301 | L155-F170 HydrophobicContact CD1-CE2 3.82Å; L155-F170 HydrophobicContact CD1-CZ 4.06Å; L155-F170 HydrophobicContact CD2-CE2 3.99Å; F170-D172 HydrophobicContact CE1-CB 3.98Å; F170-D172 WeakPolarHBondContact CE1-OD2 3.35Å; F170-Y213 HydrophobicContact CD2-CD2 4.5Å; F170-Y213 HydrophobicContact CD2-CG 4.39Å; F170-V286 HydrophobicContact CE1-CG1 4.05Å; F170-V286 HydrophobicContact CZ-CG1 3.99Å; F170-F289 AromaticContact CD2-CD1 3.87Å; F170-F289 HydrophobicContact CD2-CD1 3.87Å; F170-F289 AromaticContact CD2-CE1 3.78Å; F170-F289 HydrophobicContact CD2-CE1 3.78Å; F170-F289 AromaticContact CE2-CD1 3.43Å; F170-F289 HydrophobicContact CE2-CD1 3.43Å; F170-F289 VanDerWaalsContact CE2-CD1 3.43Å; F170-F289 AromaticContact CE2-CE1 3.66Å; F170-F289 HydrophobicContact CE2-CE1 3.66Å; F170-F289 HydrophobicContact CE2-CG 4.47Å; F170-F289 HydrophobicContact CZ-CD1 4.47Å; F170-I290 HydrophobicContact CD1-CD1 3.96Å; F170-I290 HydrophobicContact CD1-CG1 4.43Å; F170-I290 HydrophobicContact CD2-CD1 4.47Å; F170-I290 HydrophobicContact CD2-CG1 4.06Å; F170-I290 HydrophobicContact CE1-CD1 4.04Å; F170-I290 HydrophobicContact CE2-CG1 4.2Å; F170-I290 HydrophobicContact CG-CD1 4.17Å; F170-I290 HydrophobicContact CG-CG1 4.18Å; F170-I290 HydrophobicContact CZ-CD1 4.36Å; F170-I290 HydrophobicContact CZ-CG1 4.43Å; F170-I297 HydrophobicContact CB-CD1 4.31Å; F170-I297 HydrophobicContact CB-CG2 4.11Å; F170-I297 HydrophobicContact CD2-CD1 4.35Å; F170-A299 PolarHBondContact N-O 2.97Å; F170-Y300 HydrophobicContact CB-CD2 4.28Å; F170-Y300 AromaticContact CD1-CD2 3.73Å; F170-Y300 HydrophobicContact CD1-CD2 3.73Å; F170-Y300 AromaticContact CD1-CE2 3.62Å; F170-Y300 HydrophobicContact CD1-CE2 3.62Å; F170-Y300 HydrophobicContact CE1-CE2 4.05Å; F170-Y300 HydrophobicContact CG-CD2 4.38Å; F170-Y300 CarbonylContact O-C 3.53Å; F170-Y300 WeakPolarHBondContact O-CA 3.35Å; F170-L301 PolarHBondContact O-N 3.36Å |
| 171 | M | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.8 | 178.3 | -176.1 | 173.4 | 63.8 | 0 | 0 | 110 | F185 F189 Y213 V214 L215 L301 I303 | M171-F185 HydrophobicContact SD-CE1 3.8Å; M171-F189 HydrophobicContact CE-CB 3.82Å; M171-F189 HydrophobicContact CE-CD1 3.36Å; M171-F189 HydrophobicContact CE-CD2 3.91Å; M171-F189 HydrophobicContact CE-CE1 3.86Å; M171-F189 HydrophobicContact CE-CE2 4.35Å; M171-F189 HydrophobicContact CE-CG 3.4Å; M171-F189 HydrophobicContact CE-CZ 4.34Å; M171-Y213 PolarHBondContact N-O 3.01Å; M171-V214 HydrophobicContact CE-CB 4.4Å; M171-V214 HydrophobicContact CE-CG1 3.98Å; M171-V214 HydrophobicContact CE-CG2 3.57Å; M171-V214 CarbonylContact O-C 3.52Å; M171-V214 VanDerWaalsContact O-CA 3.27Å; M171-V214 WeakPolarHBondContact O-CA 3.14Å; M171-L215 PolarHBondContact O-N 3.16Å; M171-L301 WeakPolarHBondContact CA-O 3.37Å; M171-L301 HydrophobicContact CB-CB 4.32Å; M171-L301 HydrophobicContact CG-CB 4.15Å; M171-I303 HydrophobicContact CG-CG1 4.12Å; M171-I303 HydrophobicContact SD-CD1 4.49Å; M171-I303 HydrophobicContact SD-CG1 4.37Å |
| 172 | D | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 155.7 | 175.1 | 56.6 | 60.2 | 0 | 0 | 0 | 112.2 | F170 F175 L215 Y300 L301 T302 I303 | F170-D172 HydrophobicContact CE1-CB 3.98Å; F170-D172 WeakPolarHBondContact CE1-OD2 3.35Å; D172-F175 HydrophobicContact CB-CE2 4.17Å; D172-F175 VanDerWaalsContact CG-CE2 3.41Å; D172-F175 WeakPolarHBondContact OD1-CE2 3.42Å; D172-L215 HydrophobicContact CB-CB 3.95Å; D172-L215 HydrophobicContact CB-CD2 4.33Å; D172-Y300 PolarHBondContact OD1-OH 2.82Å; D172-Y300 WeakPolarHBondContact OD2-CE2 3.29Å; D172-Y300 PolarHBondContact OD2-OH 2.93Å; D172-L301 PolarHBondContact N-O 3.3Å; D172-T302 WeakPolarHBondContact OD1-CA 3.31Å; D172-T302 WeakPolarHBondContact OD1-CB 3.49Å; D172-T302 PolarHBondContact OD1-OG1 2.72Å; D172-I303 WeakPolarHBondContact O-CG1 3.3Å; D172-I303 PolarHBondContact O-N 3.32Å |
| 173 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 160.1 | -179 | -67 | 0 | 0 | 0 | 0 | 109.9 | S182 C186 L215 P216 V217 F218 | C173-S182 WeakPolarHBondContact CA-OG 3.23Å; C173-S182 WeakPolarHBondContact CB-O 3.31Å; C173-S182 WeakPolarHBondContact CB-OG 3.32Å; C173-S182 PolarHBondContact SG-O 3.32Å; C173-C186 HydrophobicContact CB-CB 3.7Å; C173-C186 WeakPolarHBondContact CB-SG 3.39Å; C173-C186 WeakPolarHBondContact SG-CB 3.5Å; C173-C186 CovalentContact SG-SG 2.02Å; C173-C186 PolarHBondContact SG-SG 2.93Å; C173-L215 PolarHBondContact N-O 3.13Å; C173-P216 WeakPolarHBondContact CB-O 3.17Å; C173-V217 CarbonylContact O-C 3.54Å; C173-V217 WeakPolarHBondContact O-CA 2.89Å; C173-F218 WeakPolarHBondContact O-CB 3.28Å; C173-F218 PolarHBondContact O-N 3.22Å |
| 174 | G | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | trans | 65.9 | 41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S182 F218 N219 | G174-S182 PolarHBondContact N-OG 2.6Å; G174-F218 PolarHBondContact O-N 3.19Å; G174-N219 WeakPolarHBondContact O-CB 3.27Å; G174-N219 PolarHBondContact O-N 2.84Å | ||
| 175 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -61.8 | -53.1 | 165.4 | -99.2 | -120.4 | 0 | 0 | 0 | 110.2 | D172 F218 N219 P250 N251 F254 H304 | D172-F175 HydrophobicContact CB-CE2 4.17Å; D172-F175 VanDerWaalsContact CG-CE2 3.41Å; D172-F175 WeakPolarHBondContact OD1-CE2 3.42Å; F175-F218 HydrophobicContact CD1-CD1 4.4Å; F175-F218 HydrophobicContact CD1-CE1 4.37Å; F175-F218 HydrophobicContact CD1-CZ 4.43Å; F175-F218 HydrophobicContact CD2-CB 3.61Å; F175-F218 HydrophobicContact CD2-CD1 4.04Å; F175-F218 AromaticContact CD2-CD2 3.65Å; F175-F218 HydrophobicContact CD2-CD2 3.65Å; F175-F218 HydrophobicContact CD2-CE2 4.25Å; F175-F218 AromaticContact CD2-CG 3.51Å; F175-F218 HydrophobicContact CD2-CG 3.51Å; F175-F218 HydrophobicContact CE1-CD2 4.33Å; F175-F218 HydrophobicContact CE1-CE1 4.34Å; F175-F218 AromaticContact CE1-CE2 3.97Å; F175-F218 HydrophobicContact CE1-CE2 3.97Å; F175-F218 AromaticContact CE1-CZ 3.96Å; F175-F218 HydrophobicContact CE1-CZ 3.96Å; F175-F218 HydrophobicContact CE2-CB 3.95Å; F175-F218 HydrophobicContact CE2-CD1 4.22Å; F175-F218 AromaticContact CE2-CD2 3.1Å; F175-F218 HydrophobicContact CE2-CD2 3.1Å; F175-F218 AromaticContact CE2-CE2 3.47Å; F175-F218 HydrophobicContact CE2-CE2 3.47Å; F175-F218 VanDerWaalsContact CE2-CE2 3.47Å; F175-F218 AromaticContact CE2-CG 3.51Å; F175-F218 HydrophobicContact CE2-CG 3.51Å; F175-F218 HydrophobicContact CE2-CZ 4.18Å; F175-F218 HydrophobicContact CG-CB 4.35Å; F175-F218 HydrophobicContact CG-CD1 4.13Å; F175-F218 HydrophobicContact CG-CD2 4.42Å; F175-F218 HydrophobicContact CG-CG 4.07Å; F175-F218 AromaticContact CZ-CD2 3.53Å; F175-F218 HydrophobicContact CZ-CD2 3.53Å; F175-F218 HydrophobicContact CZ-CE1 4.42Å; F175-F218 AromaticContact CZ-CE2 3.32Å; F175-F218 HydrophobicContact CZ-CE2 3.32Å; F175-F218 HydrophobicContact CZ-CG 4.13Å; F175-F218 AromaticContact CZ-CZ 3.81Å; F175-F218 HydrophobicContact CZ-CZ 3.81Å; F175-N219 WeakPolarHBondContact O-CB 3.42Å; F175-N219 PolarHBondContact O-ND2 2.77Å; F175-N219 VanDerWaalsContact O-ND2 3.15Å; F175-P250 HydrophobicContact CB-CG 4.37Å; F175-P250 HydrophobicContact CD1-CB 4.07Å; F175-P250 HydrophobicContact CD1-CG 4.19Å; F175-P250 WeakPolarHBondContact O-CG 3.45Å; F175-N251 HydrophobicContact CD1-CB 3.89Å; F175-N251 HydrophobicContact CE1-CB 4.4Å; F175-F254 AromaticContact CE1-CE2 3.59Å; F175-F254 HydrophobicContact CE1-CE2 3.59Å; F175-F254 HydrophobicContact CE1-CZ 4.12Å; F175-F254 AromaticContact CZ-CE2 3.98Å; F175-F254 HydrophobicContact CZ-CE2 3.98Å; F175-F254 HydrophobicContact CZ-CZ 4.02Å; F175-H304 VanDerWaalsContact CB-CE1 3.45Å; F175-H304 WeakPolarHBondContact CB-CE1 3.13Å |
| 176 | H | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 4.8 Ų | 4.8 | 2% | 0.023 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -93.6 | 128.5 | 175.5 | -56.7 | 138.7 | 0 | 0 | 0 | 110.2 | R178 E179 R234 D249 H304 | H176-R178 PolarHBondContact O-N 2.79Å; H176-E179 VanDerWaalsContact CB-CD 3.48Å; H176-E179 HydrophobicContact CB-CG 3.88Å; H176-E179 VanDerWaalsContact CB-OE1 3.23Å; H176-E179 WeakPolarHBondContact CB-OE1 3.44Å; H176-E179 IonicContact CE1-OE1 3.44Å; H176-E179 IonicContact CG-OE1 3.8Å; H176-E179 VanDerWaalsContact CG-OE1 3.32Å; H176-E179 IonicContact ND1-OE1 3.48Å; H176-E179 PolarHBondContact ND1-OE1 3.49Å; H176-E179 IonicContact ND1-OE2 2.6Å; H176-E179 PolarHBondContact O-N 2.75Å; H176-R234 WeakPolarHBondContact CA-O 3.42Å; H176-R234 HydrophobicContact CB-CG 3.88Å; H176-R234 PolarHBondContact CD2-NE 3.1Å; H176-R234 PolarHBondContact CE1-NH1 3.48Å; H176-R234 PolarHBondContact CE1-NH2 2.92Å; H176-R234 PolarHBondContact ND1-NH1 3.49Å; H176-R234 VanDerWaalsContact NE2-CZ 3.31Å; H176-R234 PolarHBondContact NE2-NH2 3.35Å; H176-D249 IonicContact CD2-OD1 3.96Å; H176-D249 IonicContact NE2-OD1 3.1Å; H176-D249 PolarHBondContact NE2-OD1 3.07Å; H176-D249 IonicContact NE2-OD2 3.8Å; H176-H304 AromaticContact CE1-CE1 3.47Å; H176-H304 PolarHBondContact CE1-CE1 3.15Å; H176-H304 VanDerWaalsContact CE1-CE1 3.47Å; H176-H304 AromaticContact CE1-ND1 3.57Å; H176-H304 AromaticContact ND1-CE1 3.6Å; H176-H304 AromaticContact ND1-ND1 3.32Å; H176-H304 PolarHBondContact ND1-ND1 3Å |
| 177 | A | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 1% | 0.008 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -35.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E179 W180 G222 S226 W233 R234 | A177-E179 VanDerWaalsContact C-N 3.29Å; A177-E179 PolarHBondContact O-N 2.71Å; A177-W180 PolarHBondContact O-NE1 2.92Å; A177-G222 VanDerWaalsContact CB-O 3.22Å; A177-G222 WeakPolarHBondContact CB-O 3.43Å; A177-S226 PolarHBondContact O-OG 2.6Å; A177-W233 CarbonylContact C-O 3.55Å; A177-W233 WeakPolarHBondContact CB-O 3.41Å; A177-R234 PolarHBondContact N-O 2.64Å |
| 178 | R | 98.6 | Very high | 98.9 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 0% | 0.004 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11.7 | -179.6 | 65.9 | -169.2 | -176.4 | -172.6 | 4.1 | 115.4 | D50 F51 H176 W180 R231 M232 W233 F387 | D50-R178 IonicContact OD1-CZ 3.8Å; D50-R178 IonicContact OD1-NH1 3.61Å; D50-R178 PolarHBondContact OD1-NH1 2.98Å; D50-R178 IonicContact OD1-NH2 2.91Å; D50-R178 IonicContact OD2-NH1 3.84Å; D50-R178 PolarHBondContact OD2-NH1 3.24Å; F51-R178 PolarHBondContact O-NH2 2.94Å; H176-R178 PolarHBondContact O-N 2.79Å; R178-W180 VanDerWaalsContact C-N 3.29Å; R178-W180 PolarHBondContact O-N 3.23Å; R178-R231 WeakPolarHBondContact CB-O 3.49Å; R178-R231 PolarHBondContact O-NH1 3.31Å; R178-R231 PolarHBondContact O-NH2 2.85Å; R178-M232 VanDerWaalsContact CD-O 3.27Å; R178-M232 WeakPolarHBondContact CD-O 3.4Å; R178-M232 PolarHBondContact NH1-O 2.9Å; R178-W233 WeakPolarHBondContact CB-O 3.46Å; R178-W233 PolarHBondContact N-O 3.39Å; R178-F387 HydrophobicContact CG-CB 4.46Å; R178-F387 HydrophobicContact CG-CD1 4.08Å; R178-F387 HydrophobicContact CG-CD2 4.19Å; R178-F387 HydrophobicContact CG-CE1 4.38Å; R178-F387 HydrophobicContact CG-CE2 4.49Å; R178-F387 HydrophobicContact CG-CG 3.99Å; R178-F387 VanDerWaalsContact CZ-CE2 3.43Å |
| 179 | E | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 3.9 Ų | 3.9 | 2% | 0.019 | 2% | 0.017 | C | C | . | . | trans | -87 | 59.6 | -173.1 | -64.3 | 179.3 | -162.7 | 0 | 0 | 111.9 | H176 A177 I181 S182 P183 H304 S305 F387 | H176-E179 VanDerWaalsContact CB-CD 3.48Å; H176-E179 HydrophobicContact CB-CG 3.88Å; H176-E179 VanDerWaalsContact CB-OE1 3.23Å; H176-E179 WeakPolarHBondContact CB-OE1 3.44Å; H176-E179 IonicContact CE1-OE1 3.44Å; H176-E179 IonicContact CG-OE1 3.8Å; H176-E179 VanDerWaalsContact CG-OE1 3.32Å; H176-E179 IonicContact ND1-OE1 3.48Å; H176-E179 PolarHBondContact ND1-OE1 3.49Å; H176-E179 IonicContact ND1-OE2 2.6Å; H176-E179 PolarHBondContact O-N 2.75Å; A177-E179 VanDerWaalsContact C-N 3.29Å; A177-E179 PolarHBondContact O-N 2.71Å; E179-I181 PolarHBondContact O-N 3.03Å; E179-I181 VanDerWaalsContact O-N 3.07Å; E179-S182 WeakPolarHBondContact O-CB 3.35Å; E179-S182 PolarHBondContact O-N 3.29Å; E179-P183 WeakPolarHBondContact O-CD 3.31Å; E179-H304 IonicContact OE1-ND1 3.66Å; E179-H304 WeakPolarHBondContact OE2-CA 3.3Å; E179-H304 VanDerWaalsContact OE2-CB 3.3Å; E179-H304 WeakPolarHBondContact OE2-CB 3.32Å; E179-H304 IonicContact OE2-CG 3.39Å; E179-H304 IonicContact OE2-ND1 3.49Å; E179-H304 PolarHBondContact OE2-ND1 2.89Å; E179-S305 VanDerWaalsContact CB-OG 3.27Å; E179-S305 WeakPolarHBondContact CB-OG 3.28Å; E179-S305 WeakPolarHBondContact CG-O 3.43Å; E179-S305 WeakPolarHBondContact CG-OG 3.42Å; E179-S305 VanDerWaalsContact OE1-O 3.11Å; E179-S305 PolarHBondContact OE2-N 3.33Å; E179-F387 HydrophobicContact CG-CD1 3.96Å; E179-F387 HydrophobicContact CG-CE1 4.01Å | ||
| 180 | W | 98.9 | Very high | 98.9 | Very high | 28 Ų | 28 | 3.7 Ų | 3.7 | 11% | 0.106 | 2% | 0.016 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.3 | -167.7 | -71.3 | 0.9 | 0 | 0 | 0 | 115.4 | Y118 A177 R178 S182 P183 A184 Y223 S226 H227 R231 | Y118-W180 HydrophobicContact CD1-CB 3.53Å; Y118-W180 HydrophobicContact CD1-CE3 4.41Å; Y118-W180 HydrophobicContact CD1-CG 4.5Å; Y118-W180 AromaticContact CD2-CE3 3.86Å; Y118-W180 HydrophobicContact CD2-CE3 3.86Å; Y118-W180 HydrophobicContact CE1-CB 3.67Å; Y118-W180 WeakPolarHBondContact CE1-O 3.14Å; Y118-W180 HydrophobicContact CG-CB 4.06Å; Y118-W180 HydrophobicContact CG-CD2 4.46Å; Y118-W180 AromaticContact CG-CE3 3.75Å; Y118-W180 HydrophobicContact CG-CE3 3.75Å; A177-W180 PolarHBondContact O-NE1 2.92Å; R178-W180 VanDerWaalsContact C-N 3.29Å; R178-W180 PolarHBondContact O-N 3.23Å; W180-S182 VanDerWaalsContact C-N 3.25Å; W180-S182 PolarHBondContact O-N 2.91Å; W180-P183 WeakPolarHBondContact O-CD 3.46Å; W180-A184 PolarHBondContact O-N 3.39Å; W180-Y223 AromaticContact CD1-CE2 3.54Å; W180-Y223 HydrophobicContact CG-CE2 4.17Å; W180-Y223 AromaticContact NE1-CE2 3.9Å; W180-S226 WeakPolarHBondContact CZ2-O 3.27Å; W180-S226 PolarHBondContact NE1-OG 3.32Å; W180-H227 AromaticContact CD2-NE2 3.9Å; W180-H227 AromaticContact CE2-CD2 3.62Å; W180-H227 AromaticContact CE2-NE2 3.38Å; W180-H227 AromaticContact CH2-CE1 3.9Å; W180-H227 AromaticContact CH2-NE2 3.94Å; W180-H227 AromaticContact CZ2-CD2 3.38Å; W180-H227 WeakPolarHBondContact CZ2-CD2 3.35Å; W180-H227 AromaticContact CZ2-CE1 3.82Å; W180-H227 AromaticContact CZ2-CG 3.79Å; W180-H227 AromaticContact CZ2-NE2 3.4Å; W180-H227 WeakPolarHBondContact CZ2-NE2 3.36Å; W180-H227 AromaticContact NE1-CD2 3.79Å; W180-H227 AromaticContact NE1-NE2 3.73Å; W180-R231 VanDerWaalsContact CD2-CZ 3.47Å; W180-R231 VanDerWaalsContact CD2-NH2 3.34Å; W180-R231 VanDerWaalsContact CH2-NE 3.32Å; W180-R231 VanDerWaalsContact CZ2-NE 3.31Å |
| 181 | I | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 5.5 Ų | 5.5 | 2% | 0.021 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67 | -26.7 | 176 | -170.5 | 58.3 | 0 | 0 | 0 | 112.8 | Y118 E179 A184 F185 S305 L379 L389 I394 T397 | Y118-I181 HydrophobicContact CE1-CB 4.47Å; E179-I181 PolarHBondContact O-N 3.03Å; E179-I181 VanDerWaalsContact O-N 3.07Å; I181-A184 HydrophobicContact CD1-CB 4.37Å; I181-A184 PolarHBondContact O-N 3.38Å; I181-F185 PolarHBondContact O-N 3.13Å; I181-S305 WeakPolarHBondContact CG2-OG 3.3Å; I181-L379 HydrophobicContact CG1-CD1 4.2Å; I181-L379 HydrophobicContact CG2-CB 4.17Å; I181-L379 HydrophobicContact CG2-CD1 4.39Å; I181-L389 HydrophobicContact CB-CD2 4.19Å; I181-L389 HydrophobicContact CD1-CD2 4.07Å; I181-L389 HydrophobicContact CG1-CD2 3.84Å; I181-I394 HydrophobicContact CD1-CB 4.26Å; I181-I394 HydrophobicContact CD1-CG1 3.98Å; I181-I394 HydrophobicContact CD1-CG2 4.34Å; I181-T397 HydrophobicContact CD1-CG2 4.07Å; I181-T397 HydrophobicContact CG1-CG2 3.74Å |
| 182 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -65.7 | -57.1 | 177.8 | 161.9 | 0 | 0 | 0 | 0 | 111.7 | C173 G174 E179 W180 A184 F185 C186 I303 | C173-S182 WeakPolarHBondContact CA-OG 3.23Å; C173-S182 WeakPolarHBondContact CB-O 3.31Å; C173-S182 WeakPolarHBondContact CB-OG 3.32Å; C173-S182 PolarHBondContact SG-O 3.32Å; G174-S182 PolarHBondContact N-OG 2.6Å; E179-S182 WeakPolarHBondContact O-CB 3.35Å; E179-S182 PolarHBondContact O-N 3.29Å; W180-S182 VanDerWaalsContact C-N 3.25Å; W180-S182 PolarHBondContact O-N 2.91Å; S182-A184 PolarHBondContact O-N 2.96Å; S182-F185 WeakPolarHBondContact O-CB 3.28Å; S182-F185 PolarHBondContact O-N 2.83Å; S182-C186 PolarHBondContact O-N 2.98Å; S182-C186 VanDerWaalsContact O-N 3.13Å; S182-I303 VanDerWaalsContact CB-O 3.31Å; S182-I303 WeakPolarHBondContact CB-O 3.43Å; S182-I303 PolarHBondContact OG-O 3Å |
| 183 | P | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.006 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -55.4 | -37.2 | 171.9 | -31.1 | 38.1 | 0 | 0 | 0 | 114.2 | E179 W180 F185 C186 Q187 P216 V217 Y223 | E179-P183 WeakPolarHBondContact O-CD 3.31Å; W180-P183 WeakPolarHBondContact O-CD 3.46Å; P183-F185 VanDerWaalsContact C-N 3.33Å; P183-C186 PolarHBondContact O-N 3.02Å; P183-Q187 VanDerWaalsContact C-NE2 3.29Å; P183-Q187 WeakPolarHBondContact O-CG 3.34Å; P183-Q187 PolarHBondContact O-N 2.78Å; P183-Q187 VanDerWaalsContact O-N 3.14Å; P183-Q187 PolarHBondContact O-NE2 3.04Å; P183-P216 WeakPolarHBondContact CA-O 3.24Å; P183-P216 WeakPolarHBondContact CB-O 3.39Å; P183-V217 HydrophobicContact CB-CG2 4.07Å; P183-V217 HydrophobicContact CG-CG2 4.3Å; P183-Y223 HydrophobicContact CB-CE2 4.33Å; P183-Y223 HydrophobicContact CG-CD2 4.25Å; P183-Y223 HydrophobicContact CG-CE2 3.92Å |
| 184 | A | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 8 Ų | 8 | 3% | 0.033 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y118 W180 I181 S182 Q187 W188 I394 | Y118-A184 HydrophobicContact CD1-CB 4.32Å; Y118-A184 HydrophobicContact CE1-CB 4.26Å; W180-A184 PolarHBondContact O-N 3.39Å; I181-A184 HydrophobicContact CD1-CB 4.37Å; I181-A184 PolarHBondContact O-N 3.38Å; S182-A184 PolarHBondContact O-N 2.96Å; A184-Q187 PolarHBondContact O-N 2.88Å; A184-W188 PolarHBondContact O-N 2.74Å; A184-I394 HydrophobicContact CB-CG2 4.08Å |
| 185 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 174.6 | 174.3 | -106.6 | 0 | 0 | 0 | 112.8 | M171 I181 S182 P183 Q187 W188 F189 I303 L379 C398 T401 V405 | M171-F185 HydrophobicContact SD-CE1 3.8Å; I181-F185 PolarHBondContact O-N 3.13Å; S182-F185 WeakPolarHBondContact O-CB 3.28Å; S182-F185 PolarHBondContact O-N 2.83Å; P183-F185 VanDerWaalsContact C-N 3.33Å; F185-Q187 VanDerWaalsContact C-N 3.26Å; F185-Q187 PolarHBondContact O-N 2.83Å; F185-W188 CarbonylContact O-C 3.49Å; F185-W188 WeakPolarHBondContact O-CB 3.28Å; F185-W188 PolarHBondContact O-N 3.03Å; F185-W188 VanDerWaalsContact O-N 3.13Å; F185-F189 HydrophobicContact CZ-CB 4.4Å; F185-F189 WeakPolarHBondContact O-CB 3.27Å; F185-F189 PolarHBondContact O-N 3.46Å; F185-I303 HydrophobicContact CD1-CD1 4.31Å; F185-I303 HydrophobicContact CD1-CG1 3.98Å; F185-I303 HydrophobicContact CD1-CG2 3.94Å; F185-I303 HydrophobicContact CE1-CD1 4.09Å; F185-I303 HydrophobicContact CE1-CG1 4.15Å; F185-L379 HydrophobicContact CB-CD1 4Å; F185-L379 HydrophobicContact CG-CD1 4.4Å; F185-C398 HydrophobicContact CD2-CB 4.19Å; F185-T401 HydrophobicContact CD1-CG2 4.25Å; F185-T401 HydrophobicContact CD2-CG2 3.83Å; F185-T401 HydrophobicContact CE1-CG2 3.88Å; F185-T401 HydrophobicContact CE2-CG2 3.44Å; F185-T401 VanDerWaalsContact CE2-CG2 3.44Å; F185-T401 HydrophobicContact CG-CG2 4.21Å; F185-T401 HydrophobicContact CZ-CG2 3.47Å; F185-T401 VanDerWaalsContact CZ-CG2 3.47Å; F185-V405 HydrophobicContact CE1-CG2 4.1Å; F185-V405 HydrophobicContact CZ-CB 4.45Å; F185-V405 HydrophobicContact CZ-CG2 3.71Å |
| 186 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.2 | -38 | 177 | -89.9 | 0 | 0 | 0 | 0 | 112.4 | C173 S182 P183 F189 V190 V214 P216 | C173-C186 HydrophobicContact CB-CB 3.7Å; C173-C186 WeakPolarHBondContact CB-SG 3.39Å; C173-C186 WeakPolarHBondContact SG-CB 3.5Å; C173-C186 CovalentContact SG-SG 2.02Å; C173-C186 PolarHBondContact SG-SG 2.93Å; S182-C186 PolarHBondContact O-N 2.98Å; S182-C186 VanDerWaalsContact O-N 3.13Å; P183-C186 PolarHBondContact O-N 3.02Å; C186-F189 PolarHBondContact O-N 2.72Å; C186-V190 WeakPolarHBondContact O-CG2 3.43Å; C186-V190 PolarHBondContact O-N 3.04Å; C186-V214 HydrophobicContact CB-CG1 3.84Å; C186-P216 HydrophobicContact CB-CB 4.26Å |
| 187 | Q | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 174.7 | -68.7 | 162.7 | 77.1 | 0 | 0 | 111.4 | H113 Y115 N119 W127 P183 A184 F185 F189 V190 N191 | H113-Q187 PolarHBondContact CD2-OE1 3.37Å; H113-Q187 PolarHBondContact NE2-OE1 2.79Å; Y115-Q187 HydrophobicContact CD1-CB 4.17Å; Y115-Q187 HydrophobicContact CE1-CB 4.27Å; Y115-Q187 VanDerWaalsContact CE1-O 3.3Å; Y115-Q187 WeakPolarHBondContact CE1-O 3.39Å; N119-Q187 PolarHBondContact ND2-OE1 3.27Å; W127-Q187 HydrophobicContact CE3-CG 4.16Å; W127-Q187 HydrophobicContact CH2-CB 4.18Å; W127-Q187 HydrophobicContact CH2-CG 3.98Å; W127-Q187 HydrophobicContact CZ2-CB 4.24Å; W127-Q187 HydrophobicContact CZ2-CG 4.37Å; W127-Q187 HydrophobicContact CZ3-CG 3.86Å; P183-Q187 VanDerWaalsContact C-NE2 3.29Å; P183-Q187 WeakPolarHBondContact O-CG 3.34Å; P183-Q187 PolarHBondContact O-N 2.78Å; P183-Q187 VanDerWaalsContact O-N 3.14Å; P183-Q187 PolarHBondContact O-NE2 3.04Å; A184-Q187 PolarHBondContact O-N 2.88Å; F185-Q187 VanDerWaalsContact C-N 3.26Å; F185-Q187 PolarHBondContact O-N 2.83Å; Q187-F189 VanDerWaalsContact C-N 3.31Å; Q187-F189 PolarHBondContact O-N 2.9Å; Q187-V190 PolarHBondContact O-N 2.77Å; Q187-N191 PolarHBondContact O-N 2.77Å; Q187-N191 VanDerWaalsContact O-N 3.11Å |
| 188 | W | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 18.8 Ų | 18.8 | 10% | 0.095 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 175 | -173.3 | -78.4 | 0 | 0 | 0 | 111.6 | T116 A184 F185 V190 N191 E192 K395 C398 E399 | T116-W188 HydrophobicContact CG2-CZ3 4.05Å; A184-W188 PolarHBondContact O-N 2.74Å; F185-W188 CarbonylContact O-C 3.49Å; F185-W188 WeakPolarHBondContact O-CB 3.28Å; F185-W188 PolarHBondContact O-N 3.03Å; F185-W188 VanDerWaalsContact O-N 3.13Å; W188-V190 VanDerWaalsContact C-N 3.34Å; W188-V190 PolarHBondContact O-N 3.08Å; W188-N191 WeakPolarHBondContact O-CB 3.49Å; W188-N191 PolarHBondContact O-N 2.85Å; W188-N191 VanDerWaalsContact O-N 3.17Å; W188-E192 PolarHBondContact NE1-OE2 3.18Å; W188-E192 PolarHBondContact O-N 3.18Å; W188-K395 HydrophobicContact CH2-CB 3.97Å; W188-K395 HydrophobicContact CH2-CD 4.03Å; W188-K395 HydrophobicContact CH2-CG 3.62Å; W188-K395 HydrophobicContact CZ2-CG 4.39Å; W188-K395 HydrophobicContact CZ3-CB 3.97Å; W188-K395 HydrophobicContact CZ3-CG 4.16Å; W188-C398 HydrophobicContact CB-CB 3.72Å; W188-C398 HydrophobicContact CD2-CB 3.43Å; W188-C398 VanDerWaalsContact CD2-CB 3.43Å; W188-C398 HydrophobicContact CE3-CB 3.94Å; W188-C398 HydrophobicContact CG-CB 3.29Å; W188-E399 HydrophobicContact CH2-CG 4.25Å; W188-E399 HydrophobicContact CZ2-CG 3.51Å |
| 189 | F | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | -179.5 | 173.7 | -87.4 | 0 | 0 | 0 | 111.7 | M171 F185 C186 Q187 N191 E192 A193 M203 V212 V214 M402 V405 | M171-F189 HydrophobicContact CE-CB 3.82Å; M171-F189 HydrophobicContact CE-CD1 3.36Å; M171-F189 HydrophobicContact CE-CD2 3.91Å; M171-F189 HydrophobicContact CE-CE1 3.86Å; M171-F189 HydrophobicContact CE-CE2 4.35Å; M171-F189 HydrophobicContact CE-CG 3.4Å; M171-F189 HydrophobicContact CE-CZ 4.34Å; F185-F189 HydrophobicContact CZ-CB 4.4Å; F185-F189 WeakPolarHBondContact O-CB 3.27Å; F185-F189 PolarHBondContact O-N 3.46Å; C186-F189 PolarHBondContact O-N 2.72Å; Q187-F189 VanDerWaalsContact C-N 3.31Å; Q187-F189 PolarHBondContact O-N 2.9Å; F189-N191 VanDerWaalsContact C-N 3.32Å; F189-N191 PolarHBondContact O-N 2.97Å; F189-E192 PolarHBondContact O-N 2.96Å; F189-A193 HydrophobicContact CE1-CB 4.43Å; F189-A193 VanDerWaalsContact O-CB 3.22Å; F189-A193 WeakPolarHBondContact O-CB 3.26Å; F189-A193 PolarHBondContact O-N 2.02Å; F189-M203 HydrophobicContact CE2-CE 4.5Å; F189-V212 HydrophobicContact CE1-CB 4.18Å; F189-V212 HydrophobicContact CE1-CG1 3.72Å; F189-V212 HydrophobicContact CZ-CB 4.28Å; F189-V212 HydrophobicContact CZ-CG1 3.83Å; F189-V212 HydrophobicContact CZ-CG2 4.19Å; F189-V214 HydrophobicContact CD1-CG2 3.86Å; F189-V214 HydrophobicContact CE1-CG2 3.89Å; F189-M402 HydrophobicContact CB-CE 3.98Å; F189-M402 HydrophobicContact CD2-CE 3.5Å; F189-M402 HydrophobicContact CD2-SD 3.85Å; F189-M402 HydrophobicContact CE2-CE 4.33Å; F189-M402 HydrophobicContact CE2-SD 4.18Å; F189-M402 HydrophobicContact CG-CE 4.07Å; F189-V405 HydrophobicContact CD2-CG1 4.14Å; F189-V405 HydrophobicContact CE2-CG1 3.74Å |
| 190 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 111 | W127 I131 L156 I158 C186 Q187 W188 A193 V194 V214 | W127-V190 HydrophobicContact CH2-CB 3.88Å; W127-V190 HydrophobicContact CH2-CG1 4.07Å; W127-V190 HydrophobicContact CH2-CG2 4.08Å; W127-V190 HydrophobicContact CZ2-CB 3.86Å; W127-V190 HydrophobicContact CZ2-CG1 3.88Å; I131-V190 HydrophobicContact CG1-CG1 3.87Å; L156-V190 HydrophobicContact CD1-CG1 4.18Å; L156-V190 HydrophobicContact CD1-CG2 3.99Å; I158-V190 HydrophobicContact CD1-CG2 3.88Å; I158-V190 HydrophobicContact CG1-CG1 4.38Å; I158-V190 HydrophobicContact CG1-CG2 4.33Å; C186-V190 WeakPolarHBondContact O-CG2 3.43Å; C186-V190 PolarHBondContact O-N 3.04Å; Q187-V190 PolarHBondContact O-N 2.77Å; W188-V190 VanDerWaalsContact C-N 3.34Å; W188-V190 PolarHBondContact O-N 3.08Å; V190-A193 PolarHBondContact O-N 2.89Å; V190-V194 WeakPolarHBondContact O-CG2 3.3Å; V190-V194 PolarHBondContact O-N 2.8Å; V190-V214 HydrophobicContact CG2-CB 4.16Å; V190-V214 HydrophobicContact CG2-CG1 3.99Å; V190-V214 HydrophobicContact CG2-CG2 4.24Å |
| 191 | N | 98.6 | Very high | 98.5 | Very high | 37 Ų | 37 | 28.8 Ų | 28.8 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.7 | -173.9 | 59.6 | 0 | 0 | 0 | 112.4 | Y115 Q187 W188 F189 A193 V194 T195 | Y115-N191 HydrophobicContact CD1-CB 3.85Å; Y115-N191 HydrophobicContact CD2-CB 4.25Å; Y115-N191 HydrophobicContact CE1-CB 3.41Å; Y115-N191 VanDerWaalsContact CE1-CB 3.41Å; Y115-N191 HydrophobicContact CE2-CB 3.83Å; Y115-N191 WeakPolarHBondContact CE2-OD1 3.33Å; Y115-N191 HydrophobicContact CG-CB 4.25Å; Y115-N191 VanDerWaalsContact CZ-CG 3.4Å; Y115-N191 VanDerWaalsContact CZ-OD1 3.31Å; Y115-N191 PolarHBondContact OH-OD1 3.23Å; Q187-N191 PolarHBondContact O-N 2.77Å; Q187-N191 VanDerWaalsContact O-N 3.11Å; W188-N191 WeakPolarHBondContact O-CB 3.49Å; W188-N191 PolarHBondContact O-N 2.85Å; W188-N191 VanDerWaalsContact O-N 3.17Å; F189-N191 VanDerWaalsContact C-N 3.32Å; F189-N191 PolarHBondContact O-N 2.97Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 2.86Å; N191-V194 PolarHBondContact O-N 3.43Å; N191-T195 WeakPolarHBondContact O-CB 3.35Å; N191-T195 VanDerWaalsContact O-CG2 3.26Å; N191-T195 WeakPolarHBondContact O-CG2 3.48Å; N191-T195 PolarHBondContact O-N 3.34Å; N191-T195 PolarHBondContact O-OG1 2.68Å |
| 192 | E | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 31 Ų | 31 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 179.5 | -166.5 | 176.8 | 135.8 | 0 | 0 | 110.8 | W188 F189 V194 T195 T196 M402 K406 | W188-E192 PolarHBondContact NE1-OE2 3.18Å; W188-E192 PolarHBondContact O-N 3.18Å; F189-E192 PolarHBondContact O-N 2.96Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 2.93Å; E192-T195 PolarHBondContact O-N 2.8Å; E192-T196 HydrophobicContact CG-CG2 3.74Å; E192-T196 VanDerWaalsContact O-CB 3.32Å; E192-T196 WeakPolarHBondContact O-CB 3.49Å; E192-T196 WeakPolarHBondContact O-CG2 3.41Å; E192-T196 PolarHBondContact O-N 2.57Å; E192-T196 PolarHBondContact O-OG1 2.92Å; E192-M402 HydrophobicContact CB-CE 3.73Å; E192-M402 VanDerWaalsContact CD-CG 3.5Å; E192-M402 HydrophobicContact CG-CE 4.22Å; E192-M402 WeakPolarHBondContact OE1-CG 3.29Å; E192-M402 WeakPolarHBondContact OE2-CG 3.46Å; E192-K406 IonicContact OE1-NZ 3.82Å; E192-K406 PolarHBondContact OE1-NZ 2.92Å |
| 193 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.1 | -47.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I158 F189 V190 N191 Y197 M203 L207 | I158-A193 HydrophobicContact CG2-CB 4.07Å; F189-A193 HydrophobicContact CE1-CB 4.43Å; F189-A193 VanDerWaalsContact O-CB 3.22Å; F189-A193 WeakPolarHBondContact O-CB 3.26Å; F189-A193 PolarHBondContact O-N 2.02Å; V190-A193 PolarHBondContact O-N 2.89Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 2.86Å; A193-Y197 VanDerWaalsContact O-CB 3.26Å; A193-Y197 WeakPolarHBondContact O-CB 3.3Å; A193-Y197 PolarHBondContact O-N 3.42Å; A193-M203 HydrophobicContact CB-CE 3.96Å; A193-M203 HydrophobicContact CB-SD 3.84Å; A193-L207 HydrophobicContact CB-CD1 4.14Å |
| 194 | V | 98.4 | Very high | 98.4 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.1 | -47 | 178.5 | 167.8 | 0 | 0 | 0 | 0 | 112.1 | I131 N135 V139 V190 N191 E192 | I131-V194 HydrophobicContact CD1-CG2 4.48Å; N135-V194 HydrophobicContact CB-CG1 4.15Å; N135-V194 HydrophobicContact CB-CG2 4.36Å; N135-V194 WeakPolarHBondContact OD1-CG1 3.43Å; V139-V194 HydrophobicContact CG2-CG2 3.54Å; V190-V194 WeakPolarHBondContact O-CG2 3.3Å; V190-V194 PolarHBondContact O-N 2.8Å; N191-V194 PolarHBondContact O-N 3.43Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 2.93Å |
| 195 | T | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 34.2 Ų | 34.2 | 52% | 0.521 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -77.6 | -23.5 | -170.9 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | N191 E192 | N191-T195 WeakPolarHBondContact O-CB 3.35Å; N191-T195 VanDerWaalsContact O-CG2 3.26Å; N191-T195 WeakPolarHBondContact O-CG2 3.48Å; N191-T195 PolarHBondContact O-N 3.34Å; N191-T195 PolarHBondContact O-OG1 2.68Å; E192-T195 PolarHBondContact O-N 2.8Å |
| 196 | T | 98.5 | Very high | 98.3 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 17% | 0.172 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -102.8 | -6.5 | 179.2 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | E192 G198 S199 D200 | E192-T196 HydrophobicContact CG-CG2 3.74Å; E192-T196 VanDerWaalsContact O-CB 3.32Å; E192-T196 WeakPolarHBondContact O-CB 3.49Å; E192-T196 WeakPolarHBondContact O-CG2 3.41Å; E192-T196 PolarHBondContact O-N 2.57Å; E192-T196 PolarHBondContact O-OG1 2.92Å; T196-G198 PolarHBondContact O-N 3.32Å; T196-S199 WeakPolarHBondContact CA-OG 3.49Å; T196-S199 PolarHBondContact O-N 3.14Å; T196-S199 PolarHBondContact O-OG 3.4Å; T196-S199 VanDerWaalsContact O-OG 3.07Å; T196-D200 PolarHBondContact O-N 3.39Å |
| 197 | Y | 98.2 | Very high | 98.2 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 125.8 | 172.8 | 178 | -93.3 | 0 | 0 | 0 | 111.1 | L138 K160 A193 T204 L207 N208 | L138-Y197 HydrophobicContact CD1-CD1 3.52Å; L138-Y197 HydrophobicContact CD1-CE1 4.14Å; L138-Y197 HydrophobicContact CD1-CG 3.71Å; L138-Y197 HydrophobicContact CD2-CD1 3.97Å; L138-Y197 HydrophobicContact CD2-CD2 4.15Å; L138-Y197 HydrophobicContact CD2-CE1 3.83Å; L138-Y197 HydrophobicContact CD2-CE2 4.03Å; L138-Y197 HydrophobicContact CD2-CG 4.11Å; L138-Y197 HydrophobicContact CG-CD1 4.29Å; L138-Y197 HydrophobicContact CG-CE1 4.44Å; K160-Y197 WeakPolarHBondContact CD-OH 3.45Å; A193-Y197 VanDerWaalsContact O-CB 3.26Å; A193-Y197 WeakPolarHBondContact O-CB 3.3Å; A193-Y197 PolarHBondContact O-N 3.42Å; Y197-T204 HydrophobicContact CD2-CG2 4.36Å; Y197-T204 HydrophobicContact CE2-CG2 4.13Å; Y197-L207 HydrophobicContact CD2-CB 3.85Å; Y197-L207 HydrophobicContact CD2-CD1 3.92Å; Y197-L207 HydrophobicContact CD2-CG 4.42Å; Y197-L207 HydrophobicContact CE2-CB 4Å; Y197-L207 HydrophobicContact CG-CD1 4.43Å; Y197-N208 PolarHBondContact OH-OD1 2.88Å; Y197-N208 VanDerWaalsContact OH-OD1 3.09Å |
| 198 | G | 97.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 37.1 Ų | 37.1 | 64% | 0.639 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -13.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | T196 T204 | T196-G198 PolarHBondContact O-N 3.32Å; G198-T204 WeakPolarHBondContact CA-OG1 3.4Å; G198-T204 PolarHBondContact N-OG1 2.99Å |
| 199 | S | 97.9 | Very high | 98.1 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 67% | 0.671 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -41.4 | 179 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | T196 | T196-S199 WeakPolarHBondContact CA-OG 3.49Å; T196-S199 PolarHBondContact O-N 3.14Å; T196-S199 PolarHBondContact O-OG 3.4Å; T196-S199 VanDerWaalsContact O-OG 3.07Å |
| 200 | D | 97.9 | Very high | 98.1 | Very high | 46 Ų | 46 | 40 Ų | 40 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -86.7 | 115.7 | 170 | 177.8 | -130.8 | 0 | 0 | 0 | 110.2 | T196 A202 M203 T204 K406 | T196-D200 PolarHBondContact O-N 3.39Å; D200-A202 VanDerWaalsContact C-N 3.29Å; D200-A202 PolarHBondContact O-N 3.23Å; D200-M203 HydrophobicContact CB-CB 4.1Å; D200-M203 PolarHBondContact O-N 2.83Å; D200-M203 WeakPolarHBondContact OD1-CB 3.41Å; D200-M203 PolarHBondContact OD1-N 3.13Å; D200-T204 VanDerWaalsContact O-CB 3.23Å; D200-T204 WeakPolarHBondContact O-CB 3.31Å; D200-T204 PolarHBondContact O-N 3.02Å; D200-T204 PolarHBondContact O-OG1 3.15Å; D200-K406 IonicContact OD1-NZ 2.74Å; D200-K406 PolarHBondContact OD1-NZ 3.06Å |
| 201 | S | 97.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 70% | 0.699 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.5 | -34.8 | -176.5 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | S205 | S201-S205 WeakPolarHBondContact O-CB 3.11Å; S201-S205 PolarHBondContact O-N 3.25Å |
| 202 | A | 96.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.3 | -51.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D200 T204 S205 L206 | D200-A202 VanDerWaalsContact C-N 3.29Å; D200-A202 PolarHBondContact O-N 3.23Å; A202-T204 VanDerWaalsContact C-N 3.31Å; A202-T204 PolarHBondContact O-N 3.16Å; A202-S205 PolarHBondContact O-N 3.3Å; A202-L206 WeakPolarHBondContact O-CB 3.38Å; A202-L206 PolarHBondContact O-N 2.78Å |
| 203 | M | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 175.4 | -172.7 | 58.8 | 77.6 | 0 | 0 | 111.9 | F189 A193 D200 S205 L206 L207 M402 K406 | F189-M203 HydrophobicContact CE2-CE 4.5Å; A193-M203 HydrophobicContact CB-CE 3.96Å; A193-M203 HydrophobicContact CB-SD 3.84Å; D200-M203 HydrophobicContact CB-CB 4.1Å; D200-M203 PolarHBondContact O-N 2.83Å; D200-M203 WeakPolarHBondContact OD1-CB 3.41Å; D200-M203 PolarHBondContact OD1-N 3.13Å; M203-S205 PolarHBondContact O-N 3.27Å; M203-L206 PolarHBondContact O-N 3.4Å; M203-L206 HydrophobicContact SD-CD2 4.21Å; M203-L207 HydrophobicContact CG-CD1 4.12Å; M203-L207 HydrophobicContact CG-CG 4.35Å; M203-L207 WeakPolarHBondContact O-CG 3.46Å; M203-L207 PolarHBondContact O-N 2.79Å; M203-L207 HydrophobicContact SD-CD1 4.04Å; M203-L207 HydrophobicContact SD-CD2 4.32Å; M203-L207 HydrophobicContact SD-CG 3.95Å; M203-M402 HydrophobicContact CE-SD 4.03Å; M203-K406 VanDerWaalsContact CE-CE 3.48Å |
| 204 | T | 98.3 | Very high | 98.1 | Very high | 28 Ų | 28 | 38 Ų | 38 | 17% | 0.172 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | Y197 G198 D200 A202 N208 | Y197-T204 HydrophobicContact CD2-CG2 4.36Å; Y197-T204 HydrophobicContact CE2-CG2 4.13Å; G198-T204 WeakPolarHBondContact CA-OG1 3.4Å; G198-T204 PolarHBondContact N-OG1 2.99Å; D200-T204 VanDerWaalsContact O-CB 3.23Å; D200-T204 WeakPolarHBondContact O-CB 3.31Å; D200-T204 PolarHBondContact O-N 3.02Å; D200-T204 PolarHBondContact O-OG1 3.15Å; A202-T204 VanDerWaalsContact C-N 3.31Å; A202-T204 PolarHBondContact O-N 3.16Å; T204-N208 WeakPolarHBondContact O-CB 3.45Å; T204-N208 PolarHBondContact O-N 2.69Å; T204-N208 VanDerWaalsContact O-N 3.1Å; T204-N208 PolarHBondContact O-ND2 3.27Å; T204-N208 VanDerWaalsContact O-ND2 3.11Å |
| 205 | S | 97.8 | Very high | 98.1 | Very high | 45 Ų | 45 | 37 Ų | 37 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | S201 A202 M203 L207 N208 D209 Q413 | S201-S205 WeakPolarHBondContact O-CB 3.11Å; S201-S205 PolarHBondContact O-N 3.25Å; A202-S205 PolarHBondContact O-N 3.3Å; M203-S205 PolarHBondContact O-N 3.27Å; S205-L207 PolarHBondContact O-N 2.8Å; S205-N208 PolarHBondContact O-N 3.32Å; S205-D209 PolarHBondContact O-N 3.41Å; S205-D209 VanDerWaalsContact O-N 3.16Å; S205-Q413 PolarHBondContact O-NE2 2.86Å; S205-Q413 PolarHBondContact OG-NE2 2.93Å |
| 206 | L | 98.1 | Very high | 98.1 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55 | -52.5 | 177.8 | 176.3 | 60.3 | 0 | 0 | 0 | 111.8 | I169 A202 M203 N208 D209 M210 V212 A409 | I169-L206 HydrophobicContact CD1-CD1 4.35Å; A202-L206 WeakPolarHBondContact O-CB 3.38Å; A202-L206 PolarHBondContact O-N 2.78Å; M203-L206 PolarHBondContact O-N 3.4Å; M203-L206 HydrophobicContact SD-CD2 4.21Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 3.46Å; L206-D209 PolarHBondContact O-N 3.35Å; L206-M210 HydrophobicContact CD1-CB 4.04Å; L206-M210 HydrophobicContact CD1-CG 4.31Å; L206-M210 HydrophobicContact CD1-SD 3.9Å; L206-M210 WeakPolarHBondContact O-CA 3.38Å; L206-M210 WeakPolarHBondContact O-CB 3.44Å; L206-M210 PolarHBondContact O-N 2.54Å; L206-V212 HydrophobicContact CD2-CG2 4.36Å; L206-A409 HydrophobicContact CD1-CB 3.82Å; L206-A409 HydrophobicContact CD2-CB 3.89Å; L206-A409 HydrophobicContact CG-CB 4.49Å |
| 207 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -76.6 | -19.8 | -174.4 | -61.7 | -173.4 | 0 | 0 | 0 | 113.8 | I158 K160 K166 A193 Y197 M203 S205 V212 | I158-L207 HydrophobicContact CG2-CD1 4Å; I158-L207 HydrophobicContact CG2-CD2 3.89Å; K160-L207 PolarHBondContact N-O 3.35Å; K166-L207 PolarHBondContact NZ-O 3.46Å; K166-L207 VanDerWaalsContact NZ-O 3.15Å; A193-L207 HydrophobicContact CB-CD1 4.14Å; Y197-L207 HydrophobicContact CD2-CB 3.85Å; Y197-L207 HydrophobicContact CD2-CD1 3.92Å; Y197-L207 HydrophobicContact CD2-CG 4.42Å; Y197-L207 HydrophobicContact CE2-CB 4Å; Y197-L207 HydrophobicContact CG-CD1 4.43Å; M203-L207 HydrophobicContact CG-CD1 4.12Å; M203-L207 HydrophobicContact CG-CG 4.35Å; M203-L207 WeakPolarHBondContact O-CG 3.46Å; M203-L207 PolarHBondContact O-N 2.79Å; M203-L207 HydrophobicContact SD-CD1 4.04Å; M203-L207 HydrophobicContact SD-CD2 4.32Å; M203-L207 HydrophobicContact SD-CG 3.95Å; S205-L207 PolarHBondContact O-N 2.8Å; L207-V212 HydrophobicContact CD2-CG2 4.29Å |
| 208 | N | 97.8 | Very high | 98.2 | Very high | 56 Ų | 56 | 29 Ų | 29 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.7 | -45.3 | 170.1 | -79.8 | -28.2 | 0 | 0 | 0 | 111.1 | K160 K166 Y197 T204 S205 L206 | K160-N208 WeakPolarHBondContact CD-OD1 3.37Å; K166-N208 WeakPolarHBondContact CD-O 3.43Å; Y197-N208 PolarHBondContact OH-OD1 2.88Å; Y197-N208 VanDerWaalsContact OH-OD1 3.09Å; T204-N208 WeakPolarHBondContact O-CB 3.45Å; T204-N208 PolarHBondContact O-N 2.69Å; T204-N208 VanDerWaalsContact O-N 3.1Å; T204-N208 PolarHBondContact O-ND2 3.27Å; T204-N208 VanDerWaalsContact O-ND2 3.11Å; S205-N208 PolarHBondContact O-N 3.32Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 3.46Å |
| 209 | D | 97.2 | Very high | 98.2 | Very high | 87 Ų | 87 | 26.1 Ų | 26.1 | 47% | 0.465 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -99.5 | -21.2 | -167.3 | -61 | -22.5 | 0 | 0 | 0 | 113.5 | S205 L206 Q413 | S205-D209 PolarHBondContact O-N 3.41Å; S205-D209 VanDerWaalsContact O-N 3.16Å; L206-D209 PolarHBondContact O-N 3.35Å; D209-Q413 PolarHBondContact OD2-NE2 3.44Å |
| 210 | M | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -128.8 | 161.3 | -179.2 | -58.5 | -174.2 | 72.1 | 0 | 0 | 112.1 | K166 P167 I169 L206 V412 Q413 L416 | K166-M210 PolarHBondContact NZ-O 3.05Å; P167-M210 HydrophobicContact CB-CE 4.1Å; P167-M210 HydrophobicContact CB-CG 4.45Å; P167-M210 CarbonylContact O-C 3.57Å; P167-M210 WeakPolarHBondContact O-CA 3.46Å; P167-M210 WeakPolarHBondContact O-CB 3.22Å; I169-M210 HydrophobicContact CD1-CE 4.25Å; I169-M210 HydrophobicContact CG1-CE 3.72Å; L206-M210 HydrophobicContact CD1-CB 4.04Å; L206-M210 HydrophobicContact CD1-CG 4.31Å; L206-M210 HydrophobicContact CD1-SD 3.9Å; L206-M210 WeakPolarHBondContact O-CA 3.38Å; L206-M210 WeakPolarHBondContact O-CB 3.44Å; L206-M210 PolarHBondContact O-N 2.54Å; M210-V412 HydrophobicContact CE-CG1 3.73Å; M210-Q413 HydrophobicContact SD-CB 3.86Å; M210-Q413 HydrophobicContact SD-CG 4.25Å; M210-L416 HydrophobicContact CE-CD2 4.45Å | ||
| 211 | D | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 146.5 | 163.1 | -71.7 | -43.9 | 0 | 0 | 0 | 109.9 | K157 K166 P167 A168 I169 | K157-D211 WeakPolarHBondContact CE-OD1 3.32Å; K157-D211 WeakPolarHBondContact CE-OD2 3.31Å; K157-D211 HydrophobicContact CG-CB 4.48Å; K157-D211 IonicContact NZ-OD1 3.81Å; K157-D211 IonicContact NZ-OD2 2.99Å; K157-D211 PolarHBondContact NZ-OD2 3.44Å; K166-D211 WeakPolarHBondContact CE-OD1 3.45Å; K166-D211 WeakPolarHBondContact CE-OD2 3.34Å; K166-D211 IonicContact NZ-OD1 2.8Å; K166-D211 PolarHBondContact NZ-OD1 2.93Å; P167-D211 PolarHBondContact O-N 3.48Å; A168-D211 CarbonylContact C-O 3.55Å; A168-D211 WeakPolarHBondContact CA-O 3.25Å; A168-D211 HydrophobicContact CB-CB 4.25Å; I169-D211 PolarHBondContact N-O 3.48Å |
| 212 | V | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115.3 | 169 | -169.7 | 0 | 0 | 0 | 0 | 108.1 | I158 I169 F189 L206 L207 V214 | I158-V212 WeakPolarHBondContact CD1-O 3.35Å; I158-V212 PolarHBondContact N-O 2.83Å; I158-V212 PolarHBondContact O-N 2.98Å; I169-V212 HydrophobicContact CB-CG1 4.31Å; I169-V212 HydrophobicContact CB-CG2 4.5Å; I169-V212 CarbonylContact O-C 3.58Å; I169-V212 WeakPolarHBondContact O-CA 3.42Å; F189-V212 HydrophobicContact CE1-CB 4.18Å; F189-V212 HydrophobicContact CE1-CG1 3.72Å; F189-V212 HydrophobicContact CZ-CB 4.28Å; F189-V212 HydrophobicContact CZ-CG1 3.83Å; F189-V212 HydrophobicContact CZ-CG2 4.19Å; L206-V212 HydrophobicContact CD2-CG2 4.36Å; L207-V212 HydrophobicContact CD2-CG2 4.29Å; V212-V214 HydrophobicContact CG1-CG2 3.82Å |
| 213 | Y | 98.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 8% | 0.075 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.6 | 169.9 | -64.8 | -68.4 | 0 | 0 | 0 | 108.4 | L155 L156 K157 A168 I169 F170 M171 F289 | L155-Y213 HydrophobicContact CD2-CD1 4.09Å; L155-Y213 HydrophobicContact CD2-CG 4.44Å; L155-Y213 HydrophobicContact CG-CD1 4.47Å; L156-Y213 CarbonylContact O-C 3.44Å; L156-Y213 VanDerWaalsContact O-CA 3.28Å; L156-Y213 WeakPolarHBondContact O-CA 3.14Å; K157-Y213 HydrophobicContact CB-CD1 3.93Å; K157-Y213 HydrophobicContact CB-CE1 3.89Å; K157-Y213 HydrophobicContact CD-CE1 3.87Å; K157-Y213 HydrophobicContact CG-CD1 4.08Å; K157-Y213 HydrophobicContact CG-CE1 3.73Å; A168-Y213 HydrophobicContact CB-CD2 3.81Å; A168-Y213 HydrophobicContact CB-CE2 3.53Å; I169-Y213 PolarHBondContact O-N 3.17Å; F170-Y213 HydrophobicContact CD2-CD2 4.5Å; F170-Y213 HydrophobicContact CD2-CG 4.39Å; M171-Y213 PolarHBondContact N-O 3.01Å; Y213-F289 HydrophobicContact CD1-CE1 4.29Å; Y213-F289 AromaticContact CD1-CZ 3.92Å; Y213-F289 HydrophobicContact CD1-CZ 3.92Å; Y213-F289 HydrophobicContact CD2-CE1 4.15Å; Y213-F289 HydrophobicContact CD2-CZ 4.36Å; Y213-F289 AromaticContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE2-CE1 4.39Å; Y213-F289 HydrophobicContact CE2-CZ 4.29Å; Y213-F289 HydrophobicContact CG-CE1 4.1Å; Y213-F289 HydrophobicContact CG-CZ 4.19Å |
| 214 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 116.6 | -178.6 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | L156 I158 M171 C186 F189 V190 V212 P216 | L156-V214 HydrophobicContact CB-CB 4.46Å; L156-V214 PolarHBondContact N-O 3.05Å; L156-V214 PolarHBondContact O-N 3.26Å; I158-V214 HydrophobicContact CD1-CB 3.85Å; I158-V214 HydrophobicContact CD1-CG2 3.51Å; M171-V214 HydrophobicContact CE-CB 4.4Å; M171-V214 HydrophobicContact CE-CG1 3.98Å; M171-V214 HydrophobicContact CE-CG2 3.57Å; M171-V214 CarbonylContact O-C 3.52Å; M171-V214 VanDerWaalsContact O-CA 3.27Å; M171-V214 WeakPolarHBondContact O-CA 3.14Å; C186-V214 HydrophobicContact CB-CG1 3.84Å; F189-V214 HydrophobicContact CD1-CG2 3.86Å; F189-V214 HydrophobicContact CE1-CG2 3.89Å; V190-V214 HydrophobicContact CG2-CB 4.16Å; V190-V214 HydrophobicContact CG2-CG1 3.99Å; V190-V214 HydrophobicContact CG2-CG2 4.24Å; V212-V214 HydrophobicContact CG1-CG2 3.82Å; V214-P216 HydrophobicContact CG1-CG 4.47Å; V214-P216 WeakPolarHBondContact O-CD 3.2Å |
| 215 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 98.7 | 171.1 | -178.2 | 60.7 | 0 | 0 | 0 | 108.4 | I144 M153 L155 M171 D172 C173 V217 F218 V286 | I144-L215 HydrophobicContact CD1-CD1 4.36Å; I144-L215 HydrophobicContact CD1-CD2 4.26Å; M153-L215 HydrophobicContact CE-CD2 4.11Å; L155-L215 HydrophobicContact CD1-CB 3.75Å; M171-L215 PolarHBondContact O-N 3.16Å; D172-L215 HydrophobicContact CB-CB 3.95Å; D172-L215 HydrophobicContact CB-CD2 4.33Å; C173-L215 PolarHBondContact N-O 3.13Å; L215-V217 VanDerWaalsContact C-N 3.3Å; L215-V217 PolarHBondContact O-N 3.22Å; L215-F218 HydrophobicContact CD2-CB 4.07Å; L215-F218 HydrophobicContact CD2-CD2 3.84Å; L215-F218 HydrophobicContact CD2-CG 4.34Å; L215-V286 HydrophobicContact CD2-CG2 3.58Å |
| 216 | P | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.019 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -67.4 | -30.6 | -169.6 | -20.5 | 33.4 | 0 | 0 | 0 | 113.8 | I124 W127 V154 L156 C173 P183 C186 V214 | I124-P216 HydrophobicContact CG2-CB 4.3Å; W127-P216 HydrophobicContact CZ3-CB 4.38Å; W127-P216 HydrophobicContact CZ3-CG 3.97Å; V154-P216 WeakPolarHBondContact O-CD 3.2Å; L156-P216 HydrophobicContact CD1-CG 4.27Å; C173-P216 WeakPolarHBondContact CB-O 3.17Å; P183-P216 WeakPolarHBondContact CA-O 3.24Å; P183-P216 WeakPolarHBondContact CB-O 3.39Å; C186-P216 HydrophobicContact CB-CB 4.26Å; V214-P216 HydrophobicContact CG1-CG 4.47Å; V214-P216 WeakPolarHBondContact O-CD 3.2Å |
| 217 | V | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | trans | -141.5 | 110.9 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | W121 I124 C173 P183 L215 V220 Y223 | W121-V217 HydrophobicContact CE3-CB 4.26Å; W121-V217 HydrophobicContact CE3-CG2 4.13Å; W121-V217 HydrophobicContact CZ3-CB 4.03Å; W121-V217 HydrophobicContact CZ3-CG2 4.12Å; I124-V217 HydrophobicContact CD1-CG2 3.84Å; I124-V217 HydrophobicContact CG2-CG2 4.36Å; C173-V217 CarbonylContact O-C 3.54Å; C173-V217 WeakPolarHBondContact O-CA 2.89Å; P183-V217 HydrophobicContact CB-CG2 4.07Å; P183-V217 HydrophobicContact CG-CG2 4.3Å; L215-V217 VanDerWaalsContact C-N 3.3Å; L215-V217 PolarHBondContact O-N 3.22Å; V217-V220 HydrophobicContact CB-CG2 4.29Å; V217-V220 HydrophobicContact CG1-CB 4.44Å; V217-V220 HydrophobicContact CG1-CG2 4.1Å; V217-Y223 HydrophobicContact CG1-CD1 4.28Å; V217-Y223 HydrophobicContact CG1-CG 3.97Å; V217-Y223 HydrophobicContact CG2-CD1 4.47Å | ||
| 218 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -73.5 | -56 | 175.2 | 178.4 | -76.9 | 0 | 0 | 0 | 110.8 | M153 C173 G174 F175 L215 V220 P250 F254 E282 V286 | M153-F218 HydrophobicContact CE-CD2 4.46Å; M153-F218 WeakPolarHBondContact CE-O 3.42Å; C173-F218 WeakPolarHBondContact O-CB 3.28Å; C173-F218 PolarHBondContact O-N 3.22Å; G174-F218 PolarHBondContact O-N 3.19Å; F175-F218 HydrophobicContact CD1-CD1 4.4Å; F175-F218 HydrophobicContact CD1-CE1 4.37Å; F175-F218 HydrophobicContact CD1-CZ 4.43Å; F175-F218 HydrophobicContact CD2-CB 3.61Å; F175-F218 HydrophobicContact CD2-CD1 4.04Å; F175-F218 AromaticContact CD2-CD2 3.65Å; F175-F218 HydrophobicContact CD2-CD2 3.65Å; F175-F218 HydrophobicContact CD2-CE2 4.25Å; F175-F218 AromaticContact CD2-CG 3.51Å; F175-F218 HydrophobicContact CD2-CG 3.51Å; F175-F218 HydrophobicContact CE1-CD2 4.33Å; F175-F218 HydrophobicContact CE1-CE1 4.34Å; F175-F218 AromaticContact CE1-CE2 3.97Å; F175-F218 HydrophobicContact CE1-CE2 3.97Å; F175-F218 AromaticContact CE1-CZ 3.96Å; F175-F218 HydrophobicContact CE1-CZ 3.96Å; F175-F218 HydrophobicContact CE2-CB 3.95Å; F175-F218 HydrophobicContact CE2-CD1 4.22Å; F175-F218 AromaticContact CE2-CD2 3.1Å; F175-F218 HydrophobicContact CE2-CD2 3.1Å; F175-F218 AromaticContact CE2-CE2 3.47Å; F175-F218 HydrophobicContact CE2-CE2 3.47Å; F175-F218 VanDerWaalsContact CE2-CE2 3.47Å; F175-F218 AromaticContact CE2-CG 3.51Å; F175-F218 HydrophobicContact CE2-CG 3.51Å; F175-F218 HydrophobicContact CE2-CZ 4.18Å; F175-F218 HydrophobicContact CG-CB 4.35Å; F175-F218 HydrophobicContact CG-CD1 4.13Å; F175-F218 HydrophobicContact CG-CD2 4.42Å; F175-F218 HydrophobicContact CG-CG 4.07Å; F175-F218 AromaticContact CZ-CD2 3.53Å; F175-F218 HydrophobicContact CZ-CD2 3.53Å; F175-F218 HydrophobicContact CZ-CE1 4.42Å; F175-F218 AromaticContact CZ-CE2 3.32Å; F175-F218 HydrophobicContact CZ-CE2 3.32Å; F175-F218 HydrophobicContact CZ-CG 4.13Å; F175-F218 AromaticContact CZ-CZ 3.81Å; F175-F218 HydrophobicContact CZ-CZ 3.81Å; L215-F218 HydrophobicContact CD2-CB 4.07Å; L215-F218 HydrophobicContact CD2-CD2 3.84Å; L215-F218 HydrophobicContact CD2-CG 4.34Å; F218-V220 PolarHBondContact O-N 3.42Å; F218-P250 HydrophobicContact CD1-CB 4.23Å; F218-P250 HydrophobicContact CE1-CB 3.54Å; F218-P250 HydrophobicContact CE1-CG 4.39Å; F218-P250 HydrophobicContact CZ-CB 4.28Å; F218-F254 HydrophobicContact CE2-CZ 4.14Å; F218-F254 HydrophobicContact CZ-CE2 4.29Å; F218-F254 HydrophobicContact CZ-CZ 4.11Å; F218-E282 HydrophobicContact CD1-CB 4.2Å; F218-E282 HydrophobicContact CE1-CB 3.63Å; F218-E282 HydrophobicContact CZ-CB 4.08Å; F218-V286 HydrophobicContact CD2-CB 4.42Å; F218-V286 HydrophobicContact CD2-CG2 3.66Å; F218-V286 HydrophobicContact CE2-CB 3.8Å; F218-V286 HydrophobicContact CE2-CG1 4.22Å; F218-V286 HydrophobicContact CE2-CG2 3.45Å; F218-V286 VanDerWaalsContact CE2-CG2 3.45Å |
| 219 | N | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -95 | 72.7 | -176.7 | 178.8 | 10.3 | 0 | 0 | 0 | 110 | G174 F175 D221 G222 Y223 R234 K235 | G174-N219 WeakPolarHBondContact O-CB 3.27Å; G174-N219 PolarHBondContact O-N 2.84Å; F175-N219 WeakPolarHBondContact O-CB 3.42Å; F175-N219 PolarHBondContact O-ND2 2.77Å; F175-N219 VanDerWaalsContact O-ND2 3.15Å; N219-D221 VanDerWaalsContact C-N 3.3Å; N219-D221 PolarHBondContact O-N 3.01Å; N219-G222 PolarHBondContact O-N 2.96Å; N219-G222 WeakPolarHBondContact OD1-CA 3.47Å; N219-G222 PolarHBondContact OD1-N 2.79Å; N219-Y223 VanDerWaalsContact O-CB 3.32Å; N219-Y223 WeakPolarHBondContact O-CB 3.19Å; N219-Y223 PolarHBondContact O-N 2.94Å; N219-R234 PolarHBondContact ND2-O 2.93Å; N219-K235 PolarHBondContact ND2-O 3.11Å | ||
| 220 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | -175.1 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | W121 T147 R151 V217 F218 Y223 V224 | W121-V220 HydrophobicContact CB-CG1 4.43Å; W121-V220 HydrophobicContact CD2-CG1 3.28Å; W121-V220 HydrophobicContact CE3-CG1 3.71Å; W121-V220 HydrophobicContact CE3-CG2 4.35Å; W121-V220 HydrophobicContact CG-CG1 3.58Å; W121-V220 HydrophobicContact CH2-CG1 4.23Å; W121-V220 HydrophobicContact CH2-CG2 4.02Å; W121-V220 HydrophobicContact CZ2-CG1 3.88Å; W121-V220 HydrophobicContact CZ2-CG2 4.33Å; W121-V220 HydrophobicContact CZ3-CG1 4.16Å; W121-V220 HydrophobicContact CZ3-CG2 4.05Å; T147-V220 HydrophobicContact CG2-CB 3.71Å; T147-V220 HydrophobicContact CG2-CG2 3.95Å; R151-V220 HydrophobicContact CB-CB 4.41Å; R151-V220 HydrophobicContact CB-CG1 3.95Å; R151-V220 HydrophobicContact CG-CG1 4.44Å; V217-V220 HydrophobicContact CB-CG2 4.29Å; V217-V220 HydrophobicContact CG1-CB 4.44Å; V217-V220 HydrophobicContact CG1-CG2 4.1Å; F218-V220 PolarHBondContact O-N 3.42Å; V220-Y223 PolarHBondContact O-N 3.05Å; V220-V224 HydrophobicContact CG1-CG2 4.5Å; V220-V224 WeakPolarHBondContact O-CG2 3.49Å; V220-V224 PolarHBondContact O-N 3.41Å |
| 221 | D | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.8 | -45 | -177.2 | -61.1 | -13.1 | 0 | 0 | 0 | 111.6 | T147 Y148 E149 R151 N219 V224 Y225 R237 | T147-D221 VanDerWaalsContact CB-CG 3.46Å; T147-D221 VanDerWaalsContact CB-OD1 3.26Å; T147-D221 WeakPolarHBondContact CB-OD1 3.44Å; T147-D221 VanDerWaalsContact CB-OD2 3.24Å; T147-D221 WeakPolarHBondContact CB-OD2 3.39Å; T147-D221 PolarHBondContact OG1-OD1 3.42Å; T147-D221 PolarHBondContact OG1-OD2 3.17Å; T147-D221 VanDerWaalsContact OG1-OD2 3.11Å; Y148-D221 PolarHBondContact N-OD2 3.39Å; E149-D221 WeakPolarHBondContact CB-OD2 3.31Å; E149-D221 HydrophobicContact CG-CB 4.28Å; E149-D221 WeakPolarHBondContact CG-OD2 3.43Å; E149-D221 PolarHBondContact N-OD2 3.34Å; R151-D221 IonicContact CZ-OD1 2.69Å; R151-D221 VanDerWaalsContact NH1-CG 3.34Å; R151-D221 IonicContact NH1-OD1 3.41Å; R151-D221 PolarHBondContact NH1-OD1 2.78Å; N219-D221 VanDerWaalsContact C-N 3.3Å; N219-D221 PolarHBondContact O-N 3.01Å; D221-V224 PolarHBondContact O-N 3.08Å; D221-Y225 WeakPolarHBondContact O-CB 3.02Å; D221-Y225 PolarHBondContact O-N 3.21Å; D221-R237 HydrophobicContact CB-CB 3.73Å; D221-R237 HydrophobicContact CB-CG 3.67Å |
| 222 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A177 N219 V224 Y225 S226 | A177-G222 VanDerWaalsContact CB-O 3.22Å; A177-G222 WeakPolarHBondContact CB-O 3.43Å; N219-G222 PolarHBondContact O-N 2.96Å; N219-G222 WeakPolarHBondContact OD1-CA 3.47Å; N219-G222 PolarHBondContact OD1-N 2.79Å; G222-V224 PolarHBondContact O-N 3.16Å; G222-Y225 CarbonylContact O-C 3.49Å; G222-Y225 WeakPolarHBondContact O-CB 3.36Å; G222-Y225 PolarHBondContact O-N 2.86Å; G222-Y225 VanDerWaalsContact O-N 3.1Å; G222-S226 PolarHBondContact O-N 2.85Å |
| 223 | Y | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 178.8 | -172.8 | -105.1 | 0 | 0 | 0 | 111.5 | N119 W121 I124 W180 P183 V217 N219 V220 Y225 S226 H227 | N119-Y223 WeakPolarHBondContact O-CE1 3.21Å; N119-Y223 PolarHBondContact O-OH 2.82Å; W121-Y223 HydrophobicContact CB-CD1 4.36Å; I124-Y223 HydrophobicContact CD1-CE1 3.76Å; W180-Y223 AromaticContact CD1-CE2 3.54Å; W180-Y223 HydrophobicContact CG-CE2 4.17Å; W180-Y223 AromaticContact NE1-CE2 3.9Å; P183-Y223 HydrophobicContact CB-CE2 4.33Å; P183-Y223 HydrophobicContact CG-CD2 4.25Å; P183-Y223 HydrophobicContact CG-CE2 3.92Å; V217-Y223 HydrophobicContact CG1-CD1 4.28Å; V217-Y223 HydrophobicContact CG1-CG 3.97Å; V217-Y223 HydrophobicContact CG2-CD1 4.47Å; N219-Y223 VanDerWaalsContact O-CB 3.32Å; N219-Y223 WeakPolarHBondContact O-CB 3.19Å; N219-Y223 PolarHBondContact O-N 2.94Å; V220-Y223 PolarHBondContact O-N 3.05Å; Y223-Y225 VanDerWaalsContact C-N 3.34Å; Y223-Y225 PolarHBondContact O-N 2.8Å; Y223-S226 PolarHBondContact O-N 2.91Å; Y223-S226 PolarHBondContact O-OG 3.29Å; Y223-H227 AromaticContact CE1-CD2 3.89Å; Y223-H227 AromaticContact CE1-NE2 3.63Å; Y223-H227 AromaticContact CE2-NE2 3.76Å; Y223-H227 AromaticContact CZ-CD2 3.87Å; Y223-H227 AromaticContact CZ-NE2 3.26Å; Y223-H227 VanDerWaalsContact CZ-NE2 3.26Å; Y223-H227 PolarHBondContact O-CD2 3.24Å; Y223-H227 PolarHBondContact O-N 3.49Å; Y223-H227 PolarHBondContact OH-NE2 3.5Å |
| 224 | V | 98.7 | Very high | 98 | Very high | 28 Ų | 28 | 16.2 Ų | 16.2 | 17% | 0.17 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 172.8 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | W121 V220 D221 G222 S226 H227 T228 | W121-V224 HydrophobicContact CB-CG2 3.51Å; W121-V224 HydrophobicContact CG-CG2 4Å; V220-V224 HydrophobicContact CG1-CG2 4.5Å; V220-V224 WeakPolarHBondContact O-CG2 3.49Å; V220-V224 PolarHBondContact O-N 3.41Å; D221-V224 PolarHBondContact O-N 3.08Å; G222-V224 PolarHBondContact O-N 3.16Å; V224-S226 PolarHBondContact O-N 3.37Å; V224-H227 PolarHBondContact O-N 2.84Å; V224-T228 HydrophobicContact CG1-CG2 4.36Å; V224-T228 PolarHBondContact O-N 2.85Å; V224-T228 PolarHBondContact O-OG1 2.77Å; V224-T228 VanDerWaalsContact O-OG1 3.09Å |
| 225 | Y | 98.6 | Very high | 98 | Very high | 56 Ų | 56 | 16.5 Ų | 16.5 | 22% | 0.22 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.8 | -34 | 179.9 | -165.8 | -105.1 | 0 | 0 | 0 | 112.6 | D221 G222 Y223 H227 T228 N229 D230 W233 | D221-Y225 WeakPolarHBondContact O-CB 3.02Å; D221-Y225 PolarHBondContact O-N 3.21Å; G222-Y225 CarbonylContact O-C 3.49Å; G222-Y225 WeakPolarHBondContact O-CB 3.36Å; G222-Y225 PolarHBondContact O-N 2.86Å; G222-Y225 VanDerWaalsContact O-N 3.1Å; Y223-Y225 VanDerWaalsContact C-N 3.34Å; Y223-Y225 PolarHBondContact O-N 2.8Å; Y225-H227 VanDerWaalsContact C-N 3.3Å; Y225-H227 PolarHBondContact O-N 3.46Å; Y225-T228 PolarHBondContact O-N 3.1Å; Y225-N229 HydrophobicContact CD1-CB 4.27Å; Y225-N229 HydrophobicContact CD2-CB 3.63Å; Y225-N229 HydrophobicContact CE1-CB 4.06Å; Y225-N229 HydrophobicContact CE2-CB 3.33Å; Y225-N229 VanDerWaalsContact CE2-CG 3.49Å; Y225-N229 HydrophobicContact CG-CB 4.09Å; Y225-N229 WeakPolarHBondContact O-CA 3.44Å; Y225-N229 WeakPolarHBondContact O-CB 3.02Å; Y225-N229 PolarHBondContact O-N 2.85Å; Y225-D230 HydrophobicContact CD1-CB 4.21Å; Y225-D230 HydrophobicContact CE1-CB 3.71Å; Y225-D230 PolarHBondContact O-N 3.41Å; Y225-W233 HydrophobicContact CD1-CB 3.69Å; Y225-W233 AromaticContact CD1-CD1 3.97Å; Y225-W233 AromaticContact CD1-CD2 3.65Å; Y225-W233 HydrophobicContact CD1-CD2 3.65Å; Y225-W233 HydrophobicContact CD1-CE3 4.05Å; Y225-W233 AromaticContact CD1-CG 3.46Å; Y225-W233 HydrophobicContact CD1-CG 3.46Å; Y225-W233 VanDerWaalsContact CD1-CG 3.46Å; Y225-W233 HydrophobicContact CE1-CB 4.23Å; Y225-W233 AromaticContact CE1-CD2 3.76Å; Y225-W233 HydrophobicContact CE1-CD2 3.76Å; Y225-W233 AromaticContact CE1-CE3 3.65Å; Y225-W233 HydrophobicContact CE1-CE3 3.65Å; Y225-W233 HydrophobicContact CE1-CG 4.02Å; Y225-W233 HydrophobicContact CE1-CZ3 4.35Å |
| 226 | S | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69 | -25.8 | 174.7 | 76.1 | 0 | 0 | 0 | 0 | 114.3 | A177 W180 G222 Y223 V224 D230 R231 | A177-S226 PolarHBondContact O-OG 2.6Å; W180-S226 WeakPolarHBondContact CZ2-O 3.27Å; W180-S226 PolarHBondContact NE1-OG 3.32Å; G222-S226 PolarHBondContact O-N 2.85Å; Y223-S226 PolarHBondContact O-N 2.91Å; Y223-S226 PolarHBondContact O-OG 3.29Å; V224-S226 PolarHBondContact O-N 3.37Å; S226-D230 VanDerWaalsContact CA-O 3.27Å; S226-D230 WeakPolarHBondContact CA-O 3.5Å; S226-R231 WeakPolarHBondContact O-CA 3.38Å |
| 227 | H | 96.6 | Very high | 98 | Very high | 54 Ų | 54 | 18.1 Ų | 18.1 | 25% | 0.25 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -84.4 | -28.6 | 174.9 | -84 | -104.9 | 0 | 0 | 0 | 112.7 | W180 Y223 V224 Y225 | W180-H227 AromaticContact CD2-NE2 3.9Å; W180-H227 AromaticContact CE2-CD2 3.62Å; W180-H227 AromaticContact CE2-NE2 3.38Å; W180-H227 AromaticContact CH2-CE1 3.9Å; W180-H227 AromaticContact CH2-NE2 3.94Å; W180-H227 AromaticContact CZ2-CD2 3.38Å; W180-H227 WeakPolarHBondContact CZ2-CD2 3.35Å; W180-H227 AromaticContact CZ2-CE1 3.82Å; W180-H227 AromaticContact CZ2-CG 3.79Å; W180-H227 AromaticContact CZ2-NE2 3.4Å; W180-H227 WeakPolarHBondContact CZ2-NE2 3.36Å; W180-H227 AromaticContact NE1-CD2 3.79Å; W180-H227 AromaticContact NE1-NE2 3.73Å; Y223-H227 AromaticContact CE1-CD2 3.89Å; Y223-H227 AromaticContact CE1-NE2 3.63Å; Y223-H227 AromaticContact CE2-NE2 3.76Å; Y223-H227 AromaticContact CZ-CD2 3.87Å; Y223-H227 AromaticContact CZ-NE2 3.26Å; Y223-H227 VanDerWaalsContact CZ-NE2 3.26Å; Y223-H227 PolarHBondContact O-CD2 3.24Å; Y223-H227 PolarHBondContact O-N 3.49Å; Y223-H227 PolarHBondContact OH-NE2 3.5Å; V224-H227 PolarHBondContact O-N 2.84Å; Y225-H227 VanDerWaalsContact C-N 3.3Å; Y225-H227 PolarHBondContact O-N 3.46Å |
| 228 | T | 95.6 | Very high | 98 | Very high | 72 Ų | 72 | 18.4 Ų | 18.4 | 44% | 0.442 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -109.4 | -22.8 | -169.8 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | V224 Y225 | V224-T228 HydrophobicContact CG1-CG2 4.36Å; V224-T228 PolarHBondContact O-N 2.85Å; V224-T228 PolarHBondContact O-OG1 2.77Å; V224-T228 VanDerWaalsContact O-OG1 3.09Å; Y225-T228 PolarHBondContact O-N 3.1Å |
| 229 | N | 95.3 | Very high | 97.9 | Very high | 25 Ų | 25 | 28 Ų | 28 | 13% | 0.134 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | -67.1 | -168.9 | -70.1 | 94.6 | 0 | 0 | 0 | 112.5 | A16 T19 Y225 | A16-N229 WeakPolarHBondContact CB-ND2 3.28Å; T19-N229 WeakPolarHBondContact CB-O 3.36Å; T19-N229 PolarHBondContact N-O 3.18Å; T19-N229 PolarHBondContact OG1-O 3.4Å; Y225-N229 HydrophobicContact CD1-CB 4.27Å; Y225-N229 HydrophobicContact CD2-CB 3.63Å; Y225-N229 HydrophobicContact CE1-CB 4.06Å; Y225-N229 HydrophobicContact CE2-CB 3.33Å; Y225-N229 VanDerWaalsContact CE2-CG 3.49Å; Y225-N229 HydrophobicContact CG-CB 4.09Å; Y225-N229 WeakPolarHBondContact O-CA 3.44Å; Y225-N229 WeakPolarHBondContact O-CB 3.02Å; Y225-N229 PolarHBondContact O-N 2.85Å |
| 230 | D | 96.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 29 Ų | 29 | 17% | 0.166 | 13% | 0.132 | C | C | . | . | trans | -131 | 102 | -172.5 | 179.2 | 4.4 | 0 | 0 | 0 | 110.3 | Y225 S226 M232 W233 | Y225-D230 HydrophobicContact CD1-CB 4.21Å; Y225-D230 HydrophobicContact CE1-CB 3.71Å; Y225-D230 PolarHBondContact O-N 3.41Å; S226-D230 VanDerWaalsContact CA-O 3.27Å; S226-D230 WeakPolarHBondContact CA-O 3.5Å; D230-M232 PolarHBondContact O-N 2.96Å; D230-M232 VanDerWaalsContact O-N 3.08Å; D230-M232 PolarHBondContact OD1-N 3.35Å; D230-W233 HydrophobicContact CB-CB 4.29Å; D230-W233 VanDerWaalsContact O-CB 3.24Å; D230-W233 WeakPolarHBondContact O-CB 3.49Å; D230-W233 PolarHBondContact O-N 3.32Å | ||
| 231 | R | 96.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.4 | -178 | -178.5 | 53.8 | -171.3 | 85.3 | -4.2 | 113.1 | F21 V100 Q103 R178 W180 S226 F387 L388 | F21-R231 HydrophobicContact CE2-CB 4.04Å; F21-R231 HydrophobicContact CZ-CB 4.26Å; V100-R231 HydrophobicContact CG1-CG 4.26Å; V100-R231 HydrophobicContact CG2-CG 4.38Å; Q103-R231 VanDerWaalsContact NE2-NH2 3.16Å; Q103-R231 VanDerWaalsContact OE1-NE 3.11Å; R178-R231 WeakPolarHBondContact CB-O 3.49Å; R178-R231 PolarHBondContact O-NH1 3.31Å; R178-R231 PolarHBondContact O-NH2 2.85Å; W180-R231 VanDerWaalsContact CD2-CZ 3.47Å; W180-R231 VanDerWaalsContact CD2-NH2 3.34Å; W180-R231 VanDerWaalsContact CH2-NE 3.32Å; W180-R231 VanDerWaalsContact CZ2-NE 3.31Å; S226-R231 WeakPolarHBondContact O-CA 3.38Å; R231-F387 PolarHBondContact NH2-O 3.38Å; R231-L388 HydrophobicContact CG-CD2 4.15Å |
| 232 | M | 96.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.5 | -179.2 | -69.2 | -57.3 | 107.7 | 0 | 0 | 113.9 | F21 W52 F96 R178 D230 R234 F387 L388 | F21-M232 HydrophobicContact CE1-CG 4.14Å; F21-M232 HydrophobicContact CZ-CG 4.16Å; W52-M232 HydrophobicContact CH2-SD 4.49Å; W52-M232 HydrophobicContact CZ2-CE 4.34Å; W52-M232 HydrophobicContact CZ2-SD 3.46Å; W52-M232 WeakPolarHBondContact CZ2-SD 3.37Å; F96-M232 HydrophobicContact CE1-CE 4.47Å; F96-M232 HydrophobicContact CE1-CG 3.83Å; F96-M232 HydrophobicContact CE1-SD 4.27Å; F96-M232 HydrophobicContact CZ-CE 3.72Å; F96-M232 HydrophobicContact CZ-CG 3.79Å; F96-M232 HydrophobicContact CZ-SD 3.6Å; R178-M232 VanDerWaalsContact CD-O 3.27Å; R178-M232 WeakPolarHBondContact CD-O 3.4Å; R178-M232 PolarHBondContact NH1-O 2.9Å; D230-M232 PolarHBondContact O-N 2.96Å; D230-M232 VanDerWaalsContact O-N 3.08Å; D230-M232 PolarHBondContact OD1-N 3.35Å; M232-R234 PolarHBondContact O-N 3Å; M232-F387 HydrophobicContact SD-CD2 4.39Å; M232-L388 HydrophobicContact CE-CD2 3.66Å; M232-L388 HydrophobicContact CE-CG 4.28Å |
| 233 | W | 98.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | trans | -60.1 | 131.6 | 175.9 | -169.5 | -96.6 | 0 | 0 | 0 | 111.7 | A177 R178 Y225 D230 K235 T236 V246 | A177-W233 CarbonylContact C-O 3.55Å; A177-W233 WeakPolarHBondContact CB-O 3.41Å; R178-W233 WeakPolarHBondContact CB-O 3.46Å; R178-W233 PolarHBondContact N-O 3.39Å; Y225-W233 HydrophobicContact CD1-CB 3.69Å; Y225-W233 AromaticContact CD1-CD1 3.97Å; Y225-W233 AromaticContact CD1-CD2 3.65Å; Y225-W233 HydrophobicContact CD1-CD2 3.65Å; Y225-W233 HydrophobicContact CD1-CE3 4.05Å; Y225-W233 AromaticContact CD1-CG 3.46Å; Y225-W233 HydrophobicContact CD1-CG 3.46Å; Y225-W233 VanDerWaalsContact CD1-CG 3.46Å; Y225-W233 HydrophobicContact CE1-CB 4.23Å; Y225-W233 AromaticContact CE1-CD2 3.76Å; Y225-W233 HydrophobicContact CE1-CD2 3.76Å; Y225-W233 AromaticContact CE1-CE3 3.65Å; Y225-W233 HydrophobicContact CE1-CE3 3.65Å; Y225-W233 HydrophobicContact CE1-CG 4.02Å; Y225-W233 HydrophobicContact CE1-CZ3 4.35Å; D230-W233 HydrophobicContact CB-CB 4.29Å; D230-W233 VanDerWaalsContact O-CB 3.24Å; D230-W233 WeakPolarHBondContact O-CB 3.49Å; D230-W233 PolarHBondContact O-N 3.32Å; W233-K235 VanDerWaalsContact CD1-O 3.24Å; W233-K235 HydrophobicContact CZ2-CB 4.14Å; W233-K235 PolarHBondContact NE1-O 2.86Å; W233-T236 WeakPolarHBondContact CZ2-O 3.49Å; W233-T236 PolarHBondContact NE1-O 3.46Å; W233-V246 HydrophobicContact CH2-CB 4.11Å; W233-V246 HydrophobicContact CH2-CG1 4.48Å; W233-V246 VanDerWaalsContact CH2-O 3.29Å; W233-V246 WeakPolarHBondContact CH2-O 3.43Å; W233-V246 HydrophobicContact CZ2-CB 4.38Å; W233-V246 HydrophobicContact CZ2-CG1 4.29Å; W233-V246 WeakPolarHBondContact CZ2-O 3.2Å | ||
| 234 | R | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | trans | -105.7 | -49.2 | -179.9 | -180 | -174.1 | 168.4 | 108.4 | -17.1 | 113 | D55 H176 A177 N219 M232 D249 | D55-R234 IonicContact OD1-CZ 3.42Å; D55-R234 IonicContact OD1-NH1 2.64Å; D55-R234 PolarHBondContact OD1-NH1 3.42Å; D55-R234 IonicContact OD1-NH2 2.84Å; D55-R234 PolarHBondContact OD1-NH2 2.88Å; D55-R234 IonicContact OD2-CZ 3.71Å; D55-R234 IonicContact OD2-NH1 3.76Å; D55-R234 IonicContact OD2-NH2 3.7Å; D55-R234 PolarHBondContact OD2-NH2 2.98Å; H176-R234 WeakPolarHBondContact CA-O 3.42Å; H176-R234 HydrophobicContact CB-CG 3.88Å; H176-R234 PolarHBondContact CD2-NE 3.1Å; H176-R234 PolarHBondContact CE1-NH1 3.48Å; H176-R234 PolarHBondContact CE1-NH2 2.92Å; H176-R234 PolarHBondContact ND1-NH1 3.49Å; H176-R234 VanDerWaalsContact NE2-CZ 3.31Å; H176-R234 PolarHBondContact NE2-NH2 3.35Å; A177-R234 PolarHBondContact N-O 2.64Å; N219-R234 PolarHBondContact ND2-O 2.93Å; M232-R234 PolarHBondContact O-N 3Å; R234-D249 IonicContact CZ-OD2 3.98Å; R234-D249 IonicContact NE-OD2 3.39Å; R234-D249 PolarHBondContact NE-OD2 3.27Å; R234-D249 VanDerWaalsContact NE-OD2 3.1Å; R234-D249 IonicContact NH2-OD2 2.78Å; R234-D249 PolarHBondContact NH2-OD2 3.38Å | ||
| 235 | K | 98.8 | Very high | 97 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -74.5 | 177.4 | -164.4 | -67 | -166.2 | -65.8 | 176.6 | 0 | 114.4 | N219 W233 V246 G247 T248 P267 S269 D270 | N219-K235 PolarHBondContact ND2-O 3.11Å; W233-K235 VanDerWaalsContact CD1-O 3.24Å; W233-K235 HydrophobicContact CZ2-CB 4.14Å; W233-K235 PolarHBondContact NE1-O 2.86Å; K235-V246 VanDerWaalsContact CE-O 3.29Å; K235-V246 WeakPolarHBondContact CE-O 3.18Å; K235-V246 PolarHBondContact NZ-O 2.81Å; K235-G247 PolarHBondContact NZ-O 3.15Å; K235-T248 WeakPolarHBondContact CA-O 3.21Å; K235-T248 VanDerWaalsContact CB-O 3.32Å; K235-T248 WeakPolarHBondContact CB-O 3.35Å; K235-P267 PolarHBondContact NZ-O 2.7Å; K235-S269 WeakPolarHBondContact CD-O 3.19Å; K235-S269 WeakPolarHBondContact CE-O 3.17Å; K235-S269 PolarHBondContact NZ-O 2.74Å; K235-D270 WeakPolarHBondContact CG-O 3.35Å |
| 236 | T | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -63.7 | -178.1 | 164.1 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | W233 S238 G247 T248 P250 E280 | W233-T236 WeakPolarHBondContact CZ2-O 3.49Å; W233-T236 PolarHBondContact NE1-O 3.46Å; T236-S238 PolarHBondContact OG1-OG 3.47Å; T236-G247 WeakPolarHBondContact O-CA 3.12Å; T236-G247 WeakPolarHBondContact OG1-CA 3.4Å; T236-T248 PolarHBondContact N-O 2.84Å; T236-T248 PolarHBondContact OG1-N 3.25Å; T236-T248 PolarHBondContact OG1-O 3.23Å; T236-P250 HydrophobicContact CG2-CB 4.16Å; T236-P250 HydrophobicContact CG2-CG 4.36Å; T236-E280 WeakPolarHBondContact CB-OE2 3.13Å; T236-E280 HydrophobicContact CG2-CB 4.37Å; T236-E280 HydrophobicContact CG2-CG 4.04Å; T236-E280 PolarHBondContact OG1-OE2 3.49Å | ||
| 237 | R | 98.7 | Very high | 97 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | trans | -112.8 | 19.7 | 175.6 | -64 | -60.6 | -58.7 | 167.4 | -4.2 | 113.8 | Y148 E149 D221 | Y148-R237 WeakPolarHBondContact CD1-O 3.4Å; E149-R237 HydrophobicContact CG-CB 4.35Å; D221-R237 HydrophobicContact CB-CB 3.73Å; D221-R237 HydrophobicContact CB-CG 3.67Å | ||
| 238 | S | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 145.9 | 178 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | T236 V246 G247 E280 | T236-S238 PolarHBondContact OG1-OG 3.47Å; S238-V246 WeakPolarHBondContact O-CG1 3.34Å; S238-G247 PolarHBondContact O-N 3.43Å; S238-E280 VanDerWaalsContact CB-OE2 3.23Å; S238-E280 WeakPolarHBondContact CB-OE2 3.41Å; S238-E280 PolarHBondContact OG-OE2 3.37Å |
| 239 | R | 97.9 | Very high | 97.2 | Very high | 201 Ų | 201 | 40.3 Ų | 40.3 | 76% | 0.758 | 24% | 0.242 | S | C | * | . | B | Isolated β-bridge | trans | -85.9 | 130.6 | 173.7 | -64.7 | -177.4 | 177.3 | -170.3 | -0.4 | 110.4 | Y148 | Y148-R239 HydrophobicContact CE1-CG 4.16Å; Y148-R239 WeakPolarHBondContact OH-CB 3.28Å; Y148-R239 WeakPolarHBondContact OH-CG 3.41Å |
| 240 | N | 96.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -93.4 | 118.5 | 179.5 | -64.2 | -50.1 | 0 | 0 | 0 | 110.8 | G242 S243 C245 G247 P267 F272 | N240-G242 PolarHBondContact O-N 2.7Å; N240-S243 PolarHBondContact O-N 3.35Å; N240-S243 VanDerWaalsContact O-N 3.13Å; N240-C245 PolarHBondContact ND2-O 2.59Å; N240-G247 PolarHBondContact ND2-N 3.32Å; N240-G247 PolarHBondContact ND2-O 2.82Å; N240-P267 HydrophobicContact CB-CB 4.01Å; N240-F272 WeakPolarHBondContact OD1-CE1 3.41Å |
| 241 | S | 93.4 | Very high | 97.5 | Very high | 132 Ų | 132 | 38.3 Ų | 38.3 | 92% | 0.923 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 129.1 | 180 | -171 | 0 | 0 | 0 | 0 | 111.2 | S243 | S241-S243 VanDerWaalsContact C-N 3.29Å; S241-S243 PolarHBondContact O-N 3.04Å |
| 242 | G | 94.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 94% | 0.938 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 5.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N240 | N240-G242 PolarHBondContact O-N 2.7Š|
| 243 | S | 96.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 37.6 Ų | 37.6 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | trans | -130.4 | 151 | 174.3 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | N240 S241 C245 | N240-S243 PolarHBondContact O-N 3.35Å; N240-S243 VanDerWaalsContact O-N 3.13Å; S241-S243 VanDerWaalsContact C-N 3.29Å; S241-S243 PolarHBondContact O-N 3.04Å; S243-C245 PolarHBondContact OG-N 2.64Å; S243-C245 VanDerWaalsContact OG-N 3.09Å | ||
| 244 | S | 96.1 | Very high | 97.7 | Very high | 119 Ų | 119 | 35.8 Ų | 35.8 | 83% | 0.832 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -83.6 | -15 | 168.7 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 245 | C | 96.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | trans | -76.5 | 139.9 | 180 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | N240 S243 P267 C268 | N240-C245 PolarHBondContact ND2-O 2.59Å; S243-C245 PolarHBondContact OG-N 2.64Å; S243-C245 VanDerWaalsContact OG-N 3.09Å; C245-P267 HydrophobicContact CB-CB 4.38Å; C245-P267 WeakPolarHBondContact CB-O 3.33Å; C245-C268 HydrophobicContact CB-CB 3.82Å; C245-C268 WeakPolarHBondContact CB-SG 3.41Å; C245-C268 WeakPolarHBondContact SG-CA 3.22Å; C245-C268 WeakPolarHBondContact SG-CB 3.32Å; C245-C268 CovalentContact SG-SG 2.04Å; C245-C268 PolarHBondContact SG-SG 2.58Å | ||
| 246 | V | 98.3 | Very high | 97.7 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -107.5 | 145.1 | -171.7 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | W233 K235 S238 | W233-V246 HydrophobicContact CH2-CB 4.11Å; W233-V246 HydrophobicContact CH2-CG1 4.48Å; W233-V246 VanDerWaalsContact CH2-O 3.29Å; W233-V246 WeakPolarHBondContact CH2-O 3.43Å; W233-V246 HydrophobicContact CZ2-CB 4.38Å; W233-V246 HydrophobicContact CZ2-CG1 4.29Å; W233-V246 WeakPolarHBondContact CZ2-O 3.2Å; K235-V246 VanDerWaalsContact CE-O 3.29Å; K235-V246 WeakPolarHBondContact CE-O 3.18Å; K235-V246 PolarHBondContact NZ-O 2.81Å; S238-V246 WeakPolarHBondContact O-CG1 3.34Å |
| 247 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | 83.5 | 157.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K235 T236 S238 N240 | K235-G247 PolarHBondContact NZ-O 3.15Å; T236-G247 WeakPolarHBondContact O-CA 3.12Å; T236-G247 WeakPolarHBondContact OG1-CA 3.4Å; S238-G247 PolarHBondContact O-N 3.43Å; N240-G247 PolarHBondContact ND2-N 3.32Å; N240-G247 PolarHBondContact ND2-O 2.82Å | ||
| 248 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -122.1 | 148 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 108 | K235 T236 P250 N253 F272 E280 | K235-T248 WeakPolarHBondContact CA-O 3.21Å; K235-T248 VanDerWaalsContact CB-O 3.32Å; K235-T248 WeakPolarHBondContact CB-O 3.35Å; T236-T248 PolarHBondContact N-O 2.84Å; T236-T248 PolarHBondContact OG1-N 3.25Å; T236-T248 PolarHBondContact OG1-O 3.23Å; T248-P250 VanDerWaalsContact O-CD 3.23Å; T248-P250 WeakPolarHBondContact O-CD 3.3Å; T248-N253 HydrophobicContact CG2-CB 4.04Å; T248-F272 WeakPolarHBondContact CG2-O 3.43Å; T248-E280 VanDerWaalsContact CB-OE1 3.26Å; T248-E280 WeakPolarHBondContact CB-OE1 3.47Å; T248-E280 WeakPolarHBondContact CB-OE2 3.48Å; T248-E280 HydrophobicContact CG2-CG 3.56Å; T248-E280 PolarHBondContact OG1-OE1 2.99Å | ||
| 249 | D | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -69.9 | 111.6 | 167.7 | -173.7 | -29.7 | 0 | 0 | 0 | 108.6 | H176 R234 N251 R252 N253 D270 F272 | H176-D249 IonicContact CD2-OD1 3.96Å; H176-D249 IonicContact NE2-OD1 3.1Å; H176-D249 PolarHBondContact NE2-OD1 3.07Å; H176-D249 IonicContact NE2-OD2 3.8Å; R234-D249 IonicContact CZ-OD2 3.98Å; R234-D249 IonicContact NE-OD2 3.39Å; R234-D249 PolarHBondContact NE-OD2 3.27Å; R234-D249 VanDerWaalsContact NE-OD2 3.1Å; R234-D249 IonicContact NH2-OD2 2.78Å; R234-D249 PolarHBondContact NH2-OD2 3.38Å; D249-N251 PolarHBondContact O-N 3.5Å; D249-N251 WeakPolarHBondContact OD1-CA 3.28Å; D249-N251 PolarHBondContact OD1-N 3.01Å; D249-R252 HydrophobicContact CB-CB 4.01Å; D249-R252 HydrophobicContact CB-CG 3.83Å; D249-R252 PolarHBondContact O-N 3.32Å; D249-N253 PolarHBondContact O-N 2.76Å; D249-D270 WeakPolarHBondContact CB-O 3.38Å; D249-F272 PolarHBondContact N-O 3.42Å | ||
| 250 | P | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -63.7 | -26.6 | -177.5 | 25.5 | -31 | 0 | 0 | 0 | 112.5 | F175 F218 T236 T248 R252 N253 F254 | F175-P250 HydrophobicContact CB-CG 4.37Å; F175-P250 HydrophobicContact CD1-CB 4.07Å; F175-P250 HydrophobicContact CD1-CG 4.19Å; F175-P250 WeakPolarHBondContact O-CG 3.45Å; F218-P250 HydrophobicContact CD1-CB 4.23Å; F218-P250 HydrophobicContact CE1-CB 3.54Å; F218-P250 HydrophobicContact CE1-CG 4.39Å; F218-P250 HydrophobicContact CZ-CB 4.28Å; T236-P250 HydrophobicContact CG2-CB 4.16Å; T236-P250 HydrophobicContact CG2-CG 4.36Å; T248-P250 VanDerWaalsContact O-CD 3.23Å; T248-P250 WeakPolarHBondContact O-CD 3.3Å; P250-R252 VanDerWaalsContact C-N 3.29Å; P250-R252 PolarHBondContact O-N 2.96Å; P250-N253 PolarHBondContact O-N 2.82Å; P250-F254 WeakPolarHBondContact O-CD2 3.3Å; P250-F254 VanDerWaalsContact O-CE2 3.29Å; P250-F254 WeakPolarHBondContact O-CE2 3.45Å |
| 251 | N | 98.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -92 | 17.9 | 177 | -151.4 | 24.4 | 0 | 0 | 0 | 113.3 | F175 D249 G360 G361 S362 | F175-N251 HydrophobicContact CD1-CB 3.89Å; F175-N251 HydrophobicContact CE1-CB 4.4Å; D249-N251 PolarHBondContact O-N 3.5Å; D249-N251 WeakPolarHBondContact OD1-CA 3.28Å; D249-N251 PolarHBondContact OD1-N 3.01Å; N251-G360 CarbonylContact C-O 3.34Å; N251-G361 VanDerWaalsContact OD1-CA 3.29Å; N251-G361 WeakPolarHBondContact OD1-CA 3.46Å; N251-S362 PolarHBondContact OD1-N 3.3Å; N251-S362 PolarHBondContact OD1-OG 2.93Å |
| 252 | R | 98.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -121.6 | 4.5 | 162.8 | -59.8 | -62 | -176.2 | -81.8 | -6.4 | 112.2 | D55 D249 P250 W258 G262 A263 C273 A359 G360 | D55-R252 IonicContact OD2-CZ 3.3Å; D55-R252 IonicContact OD2-NH2 2.72Å; D55-R252 PolarHBondContact OD2-NH2 3.47Å; D249-R252 HydrophobicContact CB-CB 4.01Å; D249-R252 HydrophobicContact CB-CG 3.83Å; D249-R252 PolarHBondContact O-N 3.32Å; P250-R252 VanDerWaalsContact C-N 3.29Å; P250-R252 PolarHBondContact O-N 2.96Å; R252-W258 VanDerWaalsContact O-CD1 3.24Å; R252-W258 PolarHBondContact O-NE1 2.84Å; R252-G262 PolarHBondContact NE-O 3.42Å; R252-A263 HydrophobicContact CB-CB 4.17Å; R252-A263 HydrophobicContact CG-CB 4.11Å; R252-C273 HydrophobicContact CB-CB 4.16Å; R252-A359 WeakPolarHBondContact CD-O 3.33Å; R252-G360 CarbonylContact C-O 3.54Å; R252-G360 VanDerWaalsContact C-O 3.29Å; R252-G360 WeakPolarHBondContact CA-O 3.29Å |
| 253 | N | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -102.5 | -4.6 | -169.7 | -163.2 | -116.8 | 0 | 0 | 0 | 113.9 | T248 D249 P250 C273 T276 P277 E278 S279 E280 G360 | T248-N253 HydrophobicContact CG2-CB 4.04Å; D249-N253 PolarHBondContact O-N 2.76Å; P250-N253 PolarHBondContact O-N 2.82Å; N253-C273 PolarHBondContact ND2-O 3.32Å; N253-T276 PolarHBondContact ND2-O 3.45Å; N253-P277 CarbonylContact O-C 3.59Å; N253-P277 WeakPolarHBondContact O-CA 3.23Å; N253-E278 PolarHBondContact O-N 3.25Å; N253-E278 WeakPolarHBondContact OD1-CA 3.15Å; N253-E278 PolarHBondContact OD1-N 3.16Å; N253-S279 PolarHBondContact ND2-OG 2.84Å; N253-S279 PolarHBondContact OD1-N 3.05Å; N253-E280 HydrophobicContact CB-CG 4.34Å; N253-E280 PolarHBondContact OD1-N 2.85Å; N253-G360 PolarHBondContact N-O 2.93Å | ||
| 254 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -81.8 | 157.8 | 178.7 | -70.9 | -101.8 | 0 | 0 | 0 | 112.2 | F175 F218 P250 A256 A287 G360 W365 | F175-F254 AromaticContact CE1-CE2 3.59Å; F175-F254 HydrophobicContact CE1-CE2 3.59Å; F175-F254 HydrophobicContact CE1-CZ 4.12Å; F175-F254 AromaticContact CZ-CE2 3.98Å; F175-F254 HydrophobicContact CZ-CE2 3.98Å; F175-F254 HydrophobicContact CZ-CZ 4.02Å; F218-F254 HydrophobicContact CE2-CZ 4.14Å; F218-F254 HydrophobicContact CZ-CE2 4.29Å; F218-F254 HydrophobicContact CZ-CZ 4.11Å; P250-F254 WeakPolarHBondContact O-CD2 3.3Å; P250-F254 VanDerWaalsContact O-CE2 3.29Å; P250-F254 WeakPolarHBondContact O-CE2 3.45Å; F254-A256 PolarHBondContact O-N 2.89Å; F254-A287 HydrophobicContact CE1-CB 4.26Å; F254-G360 WeakPolarHBondContact CB-O 3.2Å; F254-G360 PolarHBondContact N-O 3.28Å; F254-G360 VanDerWaalsContact O-CA 3.25Å; F254-G360 WeakPolarHBondContact O-CA 3.48Å; F254-W365 HydrophobicContact CB-CB 3.76Å; F254-W365 HydrophobicContact CB-CG 3.97Å; F254-W365 HydrophobicContact CD1-CB 4.27Å; F254-W365 AromaticContact CD1-CD2 3.74Å; F254-W365 HydrophobicContact CD1-CD2 3.74Å; F254-W365 AromaticContact CD1-CE3 3.87Å; F254-W365 HydrophobicContact CD1-CE3 3.87Å; F254-W365 AromaticContact CD1-CG 3.91Å; F254-W365 HydrophobicContact CD1-CG 3.91Å; F254-W365 HydrophobicContact CE1-CD2 4.45Å; F254-W365 HydrophobicContact CE1-CE3 4.19Å; F254-W365 HydrophobicContact CG-CB 4.36Å; F254-W365 HydrophobicContact CG-CG 4.39Å |
| 255 | N | 98.3 | Very high | 97.6 | Very high | 100 Ų | 100 | 30.6 Ų | 30.6 | 54% | 0.535 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -81.6 | 60.7 | -177.6 | -168.7 | 31.3 | 0 | 0 | 0 | 113 | P277 | N255-P277 HydrophobicContact CB-CB 3.77Š|
| 256 | A | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -133.6 | 98.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F254 W258 Y316 G360 D364 W365 | F254-A256 PolarHBondContact O-N 2.89Å; A256-W258 PolarHBondContact O-N 3.4Å; A256-W258 VanDerWaalsContact O-N 3.1Å; A256-Y316 HydrophobicContact CB-CD1 3.98Å; A256-Y316 HydrophobicContact CB-CE1 4.04Å; A256-G360 WeakPolarHBondContact O-CA 3.4Å; A256-G360 PolarHBondContact O-N 3.23Å; A256-D364 HydrophobicContact CB-CB 3.87Å; A256-W365 HydrophobicContact CB-CB 3.89Å |
| 257 | G | 97.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 57.5 | 23.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C259 T260 A359 | G257-C259 PolarHBondContact O-N 3.07Å; G257-T260 VanDerWaalsContact O-CB 3.29Å; G257-T260 WeakPolarHBondContact O-CB 3Å; G257-T260 WeakPolarHBondContact O-CG2 3.3Å; G257-T260 PolarHBondContact O-N 3.41Å; G257-T260 VanDerWaalsContact O-N 3.12Å; G257-T260 PolarHBondContact O-OG1 3.21Å; G257-A359 WeakPolarHBondContact O-CB 3.38Å |
| 258 | W | 98.4 | Very high | 97.4 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 27% | 0.265 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.1 | 126.4 | -162.7 | 176.2 | 78.1 | 0 | 0 | 0 | 114.4 | R252 A256 T260 C273 G274 T276 P277 | R252-W258 VanDerWaalsContact O-CD1 3.24Å; R252-W258 PolarHBondContact O-NE1 2.84Å; A256-W258 PolarHBondContact O-N 3.4Å; A256-W258 VanDerWaalsContact O-N 3.1Å; W258-T260 PolarHBondContact O-N 3.39Å; W258-C273 HydrophobicContact CZ2-CB 4.47Å; W258-C273 PolarHBondContact NE1-O 3.22Å; W258-G274 WeakPolarHBondContact CZ2-O 3.32Å; W258-T276 VanDerWaalsContact CZ2-C 3.49Å; W258-T276 VanDerWaalsContact CZ2-CA 3.48Å; W258-P277 HydrophobicContact CB-CB 4.43Å; W258-P277 HydrophobicContact CB-CG 3.92Å; W258-P277 HydrophobicContact CD2-CB 4.45Å; W258-P277 HydrophobicContact CD2-CG 3.64Å; W258-P277 HydrophobicContact CE3-CG 3.91Å; W258-P277 HydrophobicContact CG-CB 4.13Å; W258-P277 HydrophobicContact CG-CG 3.65Å |
| 259 | C | 97.5 | Very high | 97.2 | Very high | 33 Ų | 33 | 37 Ų | 37 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 21.7 | 175.9 | -144.8 | 0 | 0 | 0 | 0 | 116.3 | G257 C273 | G257-C259 PolarHBondContact O-N 3.07Å; C259-C273 HydrophobicContact CB-CB 3.58Å; C259-C273 WeakPolarHBondContact CB-SG 3.41Å; C259-C273 WeakPolarHBondContact SG-CB 3.36Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.25Å |
| 260 | T | 96.8 | Very high | 97 | Very high | 104 Ų | 104 | 39.3 Ų | 39.3 | 64% | 0.638 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -89.6 | -33.1 | -179.2 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | G257 W258 | G257-T260 VanDerWaalsContact O-CB 3.29Å; G257-T260 WeakPolarHBondContact O-CB 3Å; G257-T260 WeakPolarHBondContact O-CG2 3.3Å; G257-T260 PolarHBondContact O-N 3.41Å; G257-T260 VanDerWaalsContact O-N 3.12Å; G257-T260 PolarHBondContact O-OG1 3.21Å; W258-T260 PolarHBondContact O-N 3.39Å |
| 261 | I | 95.2 | Very high | 97 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 33% | 0.333 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -151.6 | 147.8 | -179.7 | -170.9 | 162.2 | 0 | 0 | 0 | 110.7 | A263 P357 A359 | I261-A263 PolarHBondContact O-N 2.95Å; I261-A263 VanDerWaalsContact O-N 3.12Å; I261-P357 HydrophobicContact CD1-CB 3.75Å; I261-P357 HydrophobicContact CD1-CG 3.77Å; I261-P357 HydrophobicContact CG1-CB 4.07Å; I261-P357 HydrophobicContact CG1-CG 4.16Å; I261-P357 HydrophobicContact CG2-CB 4.38Å; I261-A359 HydrophobicContact CG2-CB 4.06Å; I261-A359 VanDerWaalsContact O-CB 3.32Å; I261-A359 WeakPolarHBondContact O-CB 3.36Å; I261-A359 PolarHBondContact O-N 3.35Å |
| 262 | G | 93.8 | Very high | 97 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 59.7 | 24.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R252 P357 | R252-G262 PolarHBondContact NE-O 3.42Å; G262-P357 WeakPolarHBondContact CA-O 3.4Å |
| 263 | A | 96.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | trans | -141.6 | 158.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109 | R252 I261 C273 | R252-A263 HydrophobicContact CB-CB 4.17Å; R252-A263 HydrophobicContact CG-CB 4.11Å; I261-A263 PolarHBondContact O-N 2.95Å; I261-A263 VanDerWaalsContact O-N 3.12Å; A263-C273 HydrophobicContact CB-CB 4.06Å | ||
| 264 | S | 96.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -117.2 | 144.3 | -179 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | N266 S269 T271 F272 C273 | S264-N266 VanDerWaalsContact C-N 3.33Å; S264-N266 WeakPolarHBondContact OG-CB 3.48Å; S264-N266 PolarHBondContact OG-N 3.15Å; S264-N266 VanDerWaalsContact OG-N 3.12Å; S264-S269 VanDerWaalsContact CB-CB 3.41Å; S264-S269 VanDerWaalsContact CB-OG 3.27Å; S264-S269 WeakPolarHBondContact CB-OG 3.04Å; S264-S269 WeakPolarHBondContact OG-CB 3.43Å; S264-T271 PolarHBondContact N-O 3.22Å; S264-F272 CarbonylContact O-C 3.6Å; S264-F272 VanDerWaalsContact O-CA 3.29Å; S264-F272 WeakPolarHBondContact O-CA 3.29Å; S264-F272 WeakPolarHBondContact O-CD2 3.15Å; S264-C273 PolarHBondContact O-N 2.62Å; S264-C273 PolarHBondContact O-SG 2.78Å; S264-C273 VanDerWaalsContact O-SG 3.38Å |
| 265 | S | 96.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 43.4 Ų | 43.4 | 70% | 0.699 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -89.3 | -0.4 | 167.8 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | P267 F272 | S265-P267 WeakPolarHBondContact O-CD 2.81Å; S265-F272 WeakPolarHBondContact O-CE2 3.41Å |
| 266 | N | 96.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 42.2 Ų | 42.2 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | trans | -85.5 | 118.7 | 177.4 | 179.2 | 0.1 | 0 | 0 | 0 | 110.2 | S264 C268 S269 F272 | S264-N266 VanDerWaalsContact C-N 3.33Å; S264-N266 WeakPolarHBondContact OG-CB 3.48Å; S264-N266 PolarHBondContact OG-N 3.15Å; S264-N266 VanDerWaalsContact OG-N 3.12Å; N266-C268 PolarHBondContact O-N 3.47Å; N266-C268 PolarHBondContact OD1-N 2.71Å; N266-S269 WeakPolarHBondContact O-CB 3.24Å; N266-S269 PolarHBondContact O-N 2.74Å; N266-F272 VanDerWaalsContact C-CD2 3.4Å; N266-F272 WeakPolarHBondContact O-CB 3.18Å; N266-F272 WeakPolarHBondContact O-CD2 3.42Å | ||
| 267 | P | 97.3 | Very high | 96.9 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 20% | 0.195 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20.4 | 179.5 | -26.3 | 35.7 | 0 | 0 | 0 | 115.4 | K235 N240 C245 S265 F272 | K235-P267 PolarHBondContact NZ-O 2.7Å; N240-P267 HydrophobicContact CB-CB 4.01Å; C245-P267 HydrophobicContact CB-CB 4.38Å; C245-P267 WeakPolarHBondContact CB-O 3.33Å; S265-P267 WeakPolarHBondContact O-CD 2.81Å; P267-F272 HydrophobicContact CB-CD1 4.42Å; P267-F272 HydrophobicContact CB-CE1 4.27Å; P267-F272 HydrophobicContact CB-CE2 4.45Å; P267-F272 HydrophobicContact CB-CZ 4.28Å; P267-F272 HydrophobicContact CG-CE1 4.46Å; P267-F272 HydrophobicContact CG-CE2 4.04Å; P267-F272 HydrophobicContact CG-CZ 4Å |
| 268 | C | 94.9 | Very high | 96.9 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 43% | 0.432 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -10.8 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | C245 N266 | C245-C268 HydrophobicContact CB-CB 3.82Å; C245-C268 WeakPolarHBondContact CB-SG 3.41Å; C245-C268 WeakPolarHBondContact SG-CA 3.22Å; C245-C268 WeakPolarHBondContact SG-CB 3.32Å; C245-C268 CovalentContact SG-SG 2.04Å; C245-C268 PolarHBondContact SG-SG 2.58Å; N266-C268 PolarHBondContact O-N 3.47Å; N266-C268 PolarHBondContact OD1-N 2.71Å |
| 269 | S | 95.2 | Very high | 97 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -73.9 | 146.9 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 111 | K235 S264 N266 T271 F272 | K235-S269 WeakPolarHBondContact CD-O 3.19Å; K235-S269 WeakPolarHBondContact CE-O 3.17Å; K235-S269 PolarHBondContact NZ-O 2.74Å; S264-S269 VanDerWaalsContact CB-CB 3.41Å; S264-S269 VanDerWaalsContact CB-OG 3.27Å; S264-S269 WeakPolarHBondContact CB-OG 3.04Å; S264-S269 WeakPolarHBondContact OG-CB 3.43Å; N266-S269 WeakPolarHBondContact O-CB 3.24Å; N266-S269 PolarHBondContact O-N 2.74Å; S269-T271 PolarHBondContact O-N 3.26Å; S269-T271 PolarHBondContact OG-N 3.01Å; S269-T271 PolarHBondContact OG-OG1 2.84Å; S269-F272 WeakPolarHBondContact O-CB 3.32Å; S269-F272 PolarHBondContact O-N 3.44Å |
| 270 | D | 95 | Very high | 97 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21.5 | 172 | -73.2 | -45 | 0 | 0 | 0 | 113.5 | K235 D249 | K235-D270 WeakPolarHBondContact CG-O 3.35Å; D249-D270 WeakPolarHBondContact CB-O 3.38Å |
| 271 | T | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 24.3 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | D55 S264 S269 C273 | D55-T271 HydrophobicContact CB-CG2 3.54Å; S264-T271 PolarHBondContact N-O 3.22Å; S269-T271 PolarHBondContact O-N 3.26Å; S269-T271 PolarHBondContact OG-N 3.01Å; S269-T271 PolarHBondContact OG-OG1 2.84Å; T271-C273 PolarHBondContact O-N 3.1Å; T271-C273 VanDerWaalsContact O-N 3.16Å |
| 272 | F | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -55.8 | 121.1 | 176.9 | 178.1 | -127 | 0 | 0 | 0 | 110.7 | N240 T248 D249 S264 S265 N266 P267 S269 G274 | N240-F272 WeakPolarHBondContact OD1-CE1 3.41Å; T248-F272 WeakPolarHBondContact CG2-O 3.43Å; D249-F272 PolarHBondContact N-O 3.42Å; S264-F272 CarbonylContact O-C 3.6Å; S264-F272 VanDerWaalsContact O-CA 3.29Å; S264-F272 WeakPolarHBondContact O-CA 3.29Å; S264-F272 WeakPolarHBondContact O-CD2 3.15Å; S265-F272 WeakPolarHBondContact O-CE2 3.41Å; N266-F272 VanDerWaalsContact C-CD2 3.4Å; N266-F272 WeakPolarHBondContact O-CB 3.18Å; N266-F272 WeakPolarHBondContact O-CD2 3.42Å; P267-F272 HydrophobicContact CB-CD1 4.42Å; P267-F272 HydrophobicContact CB-CE1 4.27Å; P267-F272 HydrophobicContact CB-CE2 4.45Å; P267-F272 HydrophobicContact CB-CZ 4.28Å; P267-F272 HydrophobicContact CG-CE1 4.46Å; P267-F272 HydrophobicContact CG-CE2 4.04Å; P267-F272 HydrophobicContact CG-CZ 4Å; S269-F272 WeakPolarHBondContact O-CB 3.32Å; S269-F272 PolarHBondContact O-N 3.44Å; F272-G274 VanDerWaalsContact C-N 3.27Å; F272-G274 PolarHBondContact O-N 3.03Å |
| 273 | C | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | trans | -79.6 | -4.9 | -172.6 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | R252 N253 W258 C259 A263 S264 T271 | R252-C273 HydrophobicContact CB-CB 4.16Å; N253-C273 PolarHBondContact ND2-O 3.32Å; W258-C273 HydrophobicContact CZ2-CB 4.47Å; W258-C273 PolarHBondContact NE1-O 3.22Å; C259-C273 HydrophobicContact CB-CB 3.58Å; C259-C273 WeakPolarHBondContact CB-SG 3.41Å; C259-C273 WeakPolarHBondContact SG-CB 3.36Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.25Å; A263-C273 HydrophobicContact CB-CB 4.06Å; S264-C273 PolarHBondContact O-N 2.62Å; S264-C273 PolarHBondContact O-SG 2.78Å; S264-C273 VanDerWaalsContact O-SG 3.38Å; T271-C273 PolarHBondContact O-N 3.1Å; T271-C273 VanDerWaalsContact O-N 3.16Å | ||
| 274 | G | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | trans | 91.3 | -178 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W258 F272 | W258-G274 WeakPolarHBondContact CZ2-O 3.32Å; F272-G274 VanDerWaalsContact C-N 3.27Å; F272-G274 PolarHBondContact O-N 3.03Å | ||
| 275 | S | 97.7 | Very high | 97.8 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -82 | -28 | -177.8 | 57 | 0 | 0 | 0 | 0 | 113.4 | S279 | S275-S279 PolarHBondContact N-OG 3.2Å; S275-S279 WeakPolarHBondContact OG-CB 3.45Å |
| 276 | T | 98.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 34.9 Ų | 34.9 | 46% | 0.46 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -156 | 163.7 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | N253 W258 E278 S279 | N253-T276 PolarHBondContact ND2-O 3.45Å; W258-T276 VanDerWaalsContact CZ2-C 3.49Å; W258-T276 VanDerWaalsContact CZ2-CA 3.48Å; T276-E278 PolarHBondContact O-N 3.36Å; T276-S279 VanDerWaalsContact O-CB 3.3Å; T276-S279 WeakPolarHBondContact O-CB 3.3Å; T276-S279 PolarHBondContact O-N 3.1Å; T276-S279 VanDerWaalsContact O-N 3.11Å; T276-S279 PolarHBondContact O-OG 2.8Å |
| 277 | P | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 30.9 Ų | 30.9 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131.3 | 168.5 | -19.4 | 28.4 | 0 | 0 | 0 | 110.5 | N253 N255 W258 S279 | N253-P277 CarbonylContact O-C 3.59Å; N253-P277 WeakPolarHBondContact O-CA 3.23Å; N255-P277 HydrophobicContact CB-CB 3.77Å; W258-P277 HydrophobicContact CB-CB 4.43Å; W258-P277 HydrophobicContact CB-CG 3.92Å; W258-P277 HydrophobicContact CD2-CB 4.45Å; W258-P277 HydrophobicContact CD2-CG 3.64Å; W258-P277 HydrophobicContact CE3-CG 3.91Å; W258-P277 HydrophobicContact CG-CB 4.13Å; W258-P277 HydrophobicContact CG-CG 3.65Å; P277-S279 VanDerWaalsContact C-N 3.26Å; P277-S279 PolarHBondContact O-N 2.9Å |
| 278 | E | 98.5 | Very high | 98 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 35.5 | -178.3 | -56.4 | 169 | -150 | 0 | 0 | 112.9 | N253 T276 E280 K284 A287 R291 | N253-E278 PolarHBondContact O-N 3.25Å; N253-E278 WeakPolarHBondContact OD1-CA 3.15Å; N253-E278 PolarHBondContact OD1-N 3.16Å; T276-E278 PolarHBondContact O-N 3.36Å; E278-E280 VanDerWaalsContact C-N 3.27Å; E278-K284 HydrophobicContact CB-CB 4.34Å; E278-A287 HydrophobicContact CG-CB 4.32Å; E278-A287 WeakPolarHBondContact OE2-CB 3.49Å; E278-R291 IonicContact OE1-CZ 3.18Å; E278-R291 IonicContact OE1-NH2 2.77Å; E278-R291 PolarHBondContact OE1-NH2 3.22Å; E278-R291 IonicContact OE2-CZ 3.75Å; E278-R291 IonicContact OE2-NH1 2.77Å; E278-R291 PolarHBondContact OE2-NH1 3.37Å; E278-R291 IonicContact OE2-NH2 2.82Å; E278-R291 PolarHBondContact OE2-NH2 2.88Å |
| 279 | S | 98.7 | Very high | 98.2 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | trans | -65.9 | -30.9 | 170.9 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | N253 S275 T276 P277 | N253-S279 PolarHBondContact ND2-OG 2.84Å; N253-S279 PolarHBondContact OD1-N 3.05Å; S275-S279 PolarHBondContact N-OG 3.2Å; S275-S279 WeakPolarHBondContact OG-CB 3.45Å; T276-S279 VanDerWaalsContact O-CB 3.3Å; T276-S279 WeakPolarHBondContact O-CB 3.3Å; T276-S279 PolarHBondContact O-N 3.1Å; T276-S279 VanDerWaalsContact O-N 3.11Å; T276-S279 PolarHBondContact O-OG 2.8Å; P277-S279 VanDerWaalsContact C-N 3.26Å; P277-S279 PolarHBondContact O-N 2.9Å | ||
| 280 | E | 98.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -75.3 | 131.2 | 175.5 | -55.7 | -49 | 105.8 | 0 | 0 | 109.7 | T236 S238 T248 N253 E278 E282 S283 K284 | T236-E280 WeakPolarHBondContact CB-OE2 3.13Å; T236-E280 HydrophobicContact CG2-CB 4.37Å; T236-E280 HydrophobicContact CG2-CG 4.04Å; T236-E280 PolarHBondContact OG1-OE2 3.49Å; S238-E280 VanDerWaalsContact CB-OE2 3.23Å; S238-E280 WeakPolarHBondContact CB-OE2 3.41Å; S238-E280 PolarHBondContact OG-OE2 3.37Å; T248-E280 VanDerWaalsContact CB-OE1 3.26Å; T248-E280 WeakPolarHBondContact CB-OE1 3.47Å; T248-E280 WeakPolarHBondContact CB-OE2 3.48Å; T248-E280 HydrophobicContact CG2-CG 3.56Å; T248-E280 PolarHBondContact OG1-OE1 2.99Å; N253-E280 HydrophobicContact CB-CG 4.34Å; N253-E280 PolarHBondContact OD1-N 2.85Å; E278-E280 VanDerWaalsContact C-N 3.27Å; E280-E282 PolarHBondContact O-N 3.37Å; E280-S283 PolarHBondContact O-N 2.94Å; E280-K284 WeakPolarHBondContact O-CB 3.23Å; E280-K284 PolarHBondContact O-N 3.4Å |
| 281 | I | 98.8 | Very high | 98.6 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 32% | 0.323 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.7 | -31.4 | -178.5 | -171 | 58.5 | 0 | 0 | 0 | 110.8 | N146 K284 N285 | N146-I281 WeakPolarHBondContact O-CG2 3.37Å; I281-K284 HydrophobicContact CD1-CD 4.43Å; I281-K284 PolarHBondContact O-N 2.66Å; I281-N285 WeakPolarHBondContact O-CB 3.16Å; I281-N285 PolarHBondContact O-N 2.74Å; I281-N285 PolarHBondContact O-ND2 3.25Å; I281-N285 VanDerWaalsContact O-ND2 3.07Å; I281-N285 PolarHBondContact O-OD1 3.01Å |
| 282 | E | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -52.5 | 175.2 | -59.6 | 79.3 | -176.1 | 0 | 0 | 111.2 | T147 Y148 M153 F218 E280 K284 N285 V286 | T147-E282 WeakPolarHBondContact CA-OE1 3.39Å; T147-E282 WeakPolarHBondContact CB-OE1 3.46Å; T147-E282 HydrophobicContact CG2-CG 3.97Å; Y148-E282 PolarHBondContact N-OE1 3.12Å; M153-E282 HydrophobicContact CE-CB 3.93Å; M153-E282 HydrophobicContact CE-CG 4.37Å; M153-E282 HydrophobicContact SD-CB 4.02Å; M153-E282 HydrophobicContact SD-CG 4.06Å; F218-E282 HydrophobicContact CD1-CB 4.2Å; F218-E282 HydrophobicContact CE1-CB 3.63Å; F218-E282 HydrophobicContact CZ-CB 4.08Å; E280-E282 PolarHBondContact O-N 3.37Å; E282-K284 VanDerWaalsContact C-N 3.32Å; E282-K284 PolarHBondContact O-N 3.03Å; E282-N285 PolarHBondContact O-N 2.84Å; E282-V286 PolarHBondContact O-N 2.73Å; E282-V286 VanDerWaalsContact O-N 3.14Å |
| 283 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | E280 N285 V286 A287 | E280-S283 PolarHBondContact O-N 2.94Å; S283-N285 PolarHBondContact O-N 2.62Å; S283-V286 PolarHBondContact O-N 2.9Å; S283-A287 WeakPolarHBondContact O-CB 3.43Å; S283-A287 PolarHBondContact O-N 3.24Å |
| 284 | K | 98.9 | Very high | 98.4 | Very high | 100 Ų | 100 | 43.5 Ų | 43.5 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63 | -40.9 | 177 | -174.3 | 170.1 | -177.6 | 172.2 | 0 | 112.9 | E278 E280 I281 E282 N288 | E278-K284 HydrophobicContact CB-CB 4.34Å; E280-K284 WeakPolarHBondContact O-CB 3.23Å; E280-K284 PolarHBondContact O-N 3.4Å; I281-K284 HydrophobicContact CD1-CD 4.43Å; I281-K284 PolarHBondContact O-N 2.66Å; E282-K284 VanDerWaalsContact C-N 3.32Å; E282-K284 PolarHBondContact O-N 3.03Å; K284-N288 VanDerWaalsContact O-CB 3.26Å; K284-N288 WeakPolarHBondContact O-CB 3.27Å; K284-N288 PolarHBondContact O-N 2.88Å; K284-N288 PolarHBondContact O-ND2 2.97Å; K284-N288 VanDerWaalsContact O-ND2 3.13Å |
| 285 | N | 98.9 | Very high | 98.3 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 178.6 | -69.2 | -25.2 | 0 | 0 | 0 | 110.9 | N146 M153 I281 E282 S283 F289 | N146-N285 PolarHBondContact N-ND2 3.08Å; N146-N285 PolarHBondContact O-ND2 2.99Å; M153-N285 HydrophobicContact SD-CB 3.95Å; M153-N285 PolarHBondContact SD-ND2 3.2Å; I281-N285 WeakPolarHBondContact O-CB 3.16Å; I281-N285 PolarHBondContact O-N 2.74Å; I281-N285 PolarHBondContact O-ND2 3.25Å; I281-N285 VanDerWaalsContact O-ND2 3.07Å; I281-N285 PolarHBondContact O-OD1 3.01Å; E282-N285 PolarHBondContact O-N 2.84Å; S283-N285 PolarHBondContact O-N 2.62Å; N285-F289 PolarHBondContact O-N 3.23Å |
| 286 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 177.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | I144 M153 F170 L215 F218 E282 S283 N288 F289 I290 | I144-V286 HydrophobicContact CD1-CG2 3.79Å; M153-V286 HydrophobicContact CE-CG2 3.96Å; F170-V286 HydrophobicContact CE1-CG1 4.05Å; F170-V286 HydrophobicContact CZ-CG1 3.99Å; L215-V286 HydrophobicContact CD2-CG2 3.58Å; F218-V286 HydrophobicContact CD2-CB 4.42Å; F218-V286 HydrophobicContact CD2-CG2 3.66Å; F218-V286 HydrophobicContact CE2-CB 3.8Å; F218-V286 HydrophobicContact CE2-CG1 4.22Å; F218-V286 HydrophobicContact CE2-CG2 3.45Å; F218-V286 VanDerWaalsContact CE2-CG2 3.45Å; E282-V286 PolarHBondContact O-N 2.73Å; E282-V286 VanDerWaalsContact O-N 3.14Å; S283-V286 PolarHBondContact O-N 2.9Å; V286-N288 VanDerWaalsContact C-N 3.32Å; V286-N288 PolarHBondContact O-N 3.48Å; V286-F289 PolarHBondContact O-N 3.44Å; V286-F289 VanDerWaalsContact O-N 3.15Å; V286-I290 HydrophobicContact CG1-CD1 3.75Å; V286-I290 HydrophobicContact CG1-CG1 4.42Å; V286-I290 PolarHBondContact O-N 3.44Å |
| 287 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F254 E278 S283 I290 R291 W365 | F254-A287 HydrophobicContact CE1-CB 4.26Å; E278-A287 HydrophobicContact CG-CB 4.32Å; E278-A287 WeakPolarHBondContact OE2-CB 3.49Å; S283-A287 WeakPolarHBondContact O-CB 3.43Å; S283-A287 PolarHBondContact O-N 3.24Å; A287-I290 PolarHBondContact O-N 2.84Å; A287-R291 WeakPolarHBondContact O-CB 3.32Å; A287-R291 VanDerWaalsContact O-CG 3.28Å; A287-R291 WeakPolarHBondContact O-CG 3.3Å; A287-R291 PolarHBondContact O-N 3.21Å; A287-W365 VanDerWaalsContact CA-CH2 3.47Å; A287-W365 HydrophobicContact CB-CH2 3.89Å; A287-W365 HydrophobicContact CB-CZ2 3.65Å |
| 288 | N | 98.8 | Very high | 98.3 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 175 | -74 | -25.3 | 0 | 0 | 0 | 112.2 | K284 V286 I290 R291 N292 | K284-N288 VanDerWaalsContact O-CB 3.26Å; K284-N288 WeakPolarHBondContact O-CB 3.27Å; K284-N288 PolarHBondContact O-N 2.88Å; K284-N288 PolarHBondContact O-ND2 2.97Å; K284-N288 VanDerWaalsContact O-ND2 3.13Å; V286-N288 VanDerWaalsContact C-N 3.32Å; V286-N288 PolarHBondContact O-N 3.48Å; N288-I290 PolarHBondContact O-N 2.87Å; N288-R291 PolarHBondContact O-N 2.91Å; N288-R291 PolarHBondContact OD1-NH1 2.89Å; N288-N292 WeakPolarHBondContact O-CB 3.33Å; N288-N292 PolarHBondContact O-N 2.92Å; N288-N292 PolarHBondContact O-ND2 3.05Å |
| 289 | F | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 39 Ų | 39 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 177.7 | -178.5 | -91.7 | 0 | 0 | 0 | 111.4 | Q142 I144 L155 F170 Y213 N285 V286 N292 N293 I297 | Q142-F289 VanDerWaalsContact NE2-CZ 3.31Å; I144-F289 HydrophobicContact CG2-CB 4.44Å; I144-F289 HydrophobicContact CG2-CD2 3.68Å; I144-F289 HydrophobicContact CG2-CE2 4.28Å; I144-F289 HydrophobicContact CG2-CG 4.14Å; L155-F289 HydrophobicContact CD2-CD1 3.87Å; L155-F289 HydrophobicContact CD2-CD2 3.99Å; L155-F289 HydrophobicContact CD2-CE1 3.52Å; L155-F289 HydrophobicContact CD2-CE2 3.68Å; L155-F289 HydrophobicContact CD2-CG 4.09Å; L155-F289 HydrophobicContact CD2-CZ 3.42Å; L155-F289 VanDerWaalsContact CD2-CZ 3.42Å; F170-F289 AromaticContact CD2-CD1 3.87Å; F170-F289 HydrophobicContact CD2-CD1 3.87Å; F170-F289 AromaticContact CD2-CE1 3.78Å; F170-F289 HydrophobicContact CD2-CE1 3.78Å; F170-F289 AromaticContact CE2-CD1 3.43Å; F170-F289 HydrophobicContact CE2-CD1 3.43Å; F170-F289 VanDerWaalsContact CE2-CD1 3.43Å; F170-F289 AromaticContact CE2-CE1 3.66Å; F170-F289 HydrophobicContact CE2-CE1 3.66Å; F170-F289 HydrophobicContact CE2-CG 4.47Å; F170-F289 HydrophobicContact CZ-CD1 4.47Å; Y213-F289 HydrophobicContact CD1-CE1 4.29Å; Y213-F289 AromaticContact CD1-CZ 3.92Å; Y213-F289 HydrophobicContact CD1-CZ 3.92Å; Y213-F289 HydrophobicContact CD2-CE1 4.15Å; Y213-F289 HydrophobicContact CD2-CZ 4.36Å; Y213-F289 AromaticContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE2-CE1 4.39Å; Y213-F289 HydrophobicContact CE2-CZ 4.29Å; Y213-F289 HydrophobicContact CG-CE1 4.1Å; Y213-F289 HydrophobicContact CG-CZ 4.19Å; N285-F289 PolarHBondContact O-N 3.23Å; V286-F289 PolarHBondContact O-N 3.44Å; V286-F289 VanDerWaalsContact O-N 3.15Å; F289-N292 PolarHBondContact O-N 3.45Å; F289-N293 HydrophobicContact CE1-CB 4.5Å; F289-N293 WeakPolarHBondContact CE2-ND2 3.47Å; F289-N293 WeakPolarHBondContact CZ-ND2 3.48Å; F289-N293 PolarHBondContact O-N 3.18Å; F289-N293 VanDerWaalsContact O-N 3.11Å; F289-N293 PolarHBondContact O-ND2 2.83Å; F289-I297 HydrophobicContact CE1-CD1 4.44Å |
| 290 | I | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | -178.5 | -67.4 | 171.2 | 0 | 0 | 0 | 110.7 | F170 V286 A287 N288 N292 N293 K294 I297 Y300 W365 L369 | F170-I290 HydrophobicContact CD1-CD1 3.96Å; F170-I290 HydrophobicContact CD1-CG1 4.43Å; F170-I290 HydrophobicContact CD2-CD1 4.47Å; F170-I290 HydrophobicContact CD2-CG1 4.06Å; F170-I290 HydrophobicContact CE1-CD1 4.04Å; F170-I290 HydrophobicContact CE2-CG1 4.2Å; F170-I290 HydrophobicContact CG-CD1 4.17Å; F170-I290 HydrophobicContact CG-CG1 4.18Å; F170-I290 HydrophobicContact CZ-CD1 4.36Å; F170-I290 HydrophobicContact CZ-CG1 4.43Å; V286-I290 HydrophobicContact CG1-CD1 3.75Å; V286-I290 HydrophobicContact CG1-CG1 4.42Å; V286-I290 PolarHBondContact O-N 3.44Å; A287-I290 PolarHBondContact O-N 2.84Å; N288-I290 PolarHBondContact O-N 2.87Å; I290-N292 VanDerWaalsContact C-N 3.3Å; I290-N292 PolarHBondContact O-N 3.36Å; I290-N293 CarbonylContact O-C 3.38Å; I290-N293 PolarHBondContact O-N 3.48Å; I290-N293 VanDerWaalsContact O-N 3.1Å; I290-K294 WeakPolarHBondContact O-CA 3.36Å; I290-K294 PolarHBondContact O-N 3.42Å; I290-I297 HydrophobicContact CB-CD1 4.27Å; I290-I297 HydrophobicContact CG1-CD1 4.1Å; I290-I297 HydrophobicContact CG2-CD1 4.16Å; I290-Y300 HydrophobicContact CD1-CD2 3.95Å; I290-Y300 HydrophobicContact CD1-CE2 3.85Å; I290-W365 HydrophobicContact CB-CH2 3.81Å; I290-W365 HydrophobicContact CB-CZ3 3.99Å; I290-W365 HydrophobicContact CD1-CH2 4.44Å; I290-W365 HydrophobicContact CD1-CZ3 3.81Å; I290-W365 HydrophobicContact CG2-CH2 3.84Å; I290-W365 HydrophobicContact CG2-CZ3 3.84Å; I290-L369 HydrophobicContact CG2-CD2 3.86Å |
| 291 | R | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 37 Ų | 37 | 36% | 0.358 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 174.8 | -74.2 | -176.2 | -151.2 | 122 | -8 | 112.4 | E278 A287 N288 N293 K294 W365 L369 | E278-R291 IonicContact OE1-CZ 3.18Å; E278-R291 IonicContact OE1-NH2 2.77Å; E278-R291 PolarHBondContact OE1-NH2 3.22Å; E278-R291 IonicContact OE2-CZ 3.75Å; E278-R291 IonicContact OE2-NH1 2.77Å; E278-R291 PolarHBondContact OE2-NH1 3.37Å; E278-R291 IonicContact OE2-NH2 2.82Å; E278-R291 PolarHBondContact OE2-NH2 2.88Å; A287-R291 WeakPolarHBondContact O-CB 3.32Å; A287-R291 VanDerWaalsContact O-CG 3.28Å; A287-R291 WeakPolarHBondContact O-CG 3.3Å; A287-R291 PolarHBondContact O-N 3.21Å; N288-R291 PolarHBondContact O-N 2.91Å; N288-R291 PolarHBondContact OD1-NH1 2.89Å; R291-N293 PolarHBondContact O-N 3.21Å; R291-K294 WeakPolarHBondContact O-CB 3.41Å; R291-K294 PolarHBondContact O-N 3.14Å; R291-W365 HydrophobicContact CG-CZ2 4.15Å; R291-L369 HydrophobicContact CG-CD1 4.37Å; R291-L369 HydrophobicContact CG-CD2 4.04Å |
| 292 | N | 98.3 | Very high | 98.3 | Very high | 133 Ų | 133 | 34 Ų | 34 | 71% | 0.711 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -68.8 | -22.4 | 179.9 | -70.1 | -19.1 | 0 | 0 | 0 | 113 | N288 F289 I290 | N288-N292 WeakPolarHBondContact O-CB 3.33Å; N288-N292 PolarHBondContact O-N 2.92Å; N288-N292 PolarHBondContact O-ND2 3.05Å; F289-N292 PolarHBondContact O-N 3.45Å; I290-N292 VanDerWaalsContact C-N 3.3Å; I290-N292 PolarHBondContact O-N 3.36Å |
| 293 | N | 97.9 | Very high | 98.3 | Very high | 41 Ų | 41 | 33.9 Ų | 33.9 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 15.7 | -178.8 | -64 | -84.8 | 0 | 0 | 0 | 112.8 | F289 I290 R291 S295 T296 I297 | F289-N293 HydrophobicContact CE1-CB 4.5Å; F289-N293 WeakPolarHBondContact CE2-ND2 3.47Å; F289-N293 WeakPolarHBondContact CZ-ND2 3.48Å; F289-N293 PolarHBondContact O-N 3.18Å; F289-N293 VanDerWaalsContact O-N 3.11Å; F289-N293 PolarHBondContact O-ND2 2.83Å; I290-N293 CarbonylContact O-C 3.38Å; I290-N293 PolarHBondContact O-N 3.48Å; I290-N293 VanDerWaalsContact O-N 3.1Å; R291-N293 PolarHBondContact O-N 3.21Å; N293-S295 PolarHBondContact O-N 3.47Å; N293-S295 VanDerWaalsContact O-N 3.13Å; N293-T296 PolarHBondContact O-N 3.14Å; N293-T296 PolarHBondContact O-OG1 3.49Å; N293-I297 HydrophobicContact CB-CD1 3.79Å; N293-I297 HydrophobicContact CB-CG1 4.2Å; N293-I297 WeakPolarHBondContact O-CG1 3.38Å; N293-I297 PolarHBondContact O-N 3.43Å |
| 294 | K | 94.9 | Very high | 98.4 | Very high | 98 Ų | 98 | 33.9 Ų | 33.9 | 43% | 0.426 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.3 | -174.9 | 176.3 | -172.5 | 164.3 | 164.3 | 0 | 113 | I290 R291 T296 L369 | I290-K294 WeakPolarHBondContact O-CA 3.36Å; I290-K294 PolarHBondContact O-N 3.42Å; R291-K294 WeakPolarHBondContact O-CB 3.41Å; R291-K294 PolarHBondContact O-N 3.14Å; K294-T296 VanDerWaalsContact C-N 3.25Å; K294-T296 PolarHBondContact O-N 3.13Å; K294-L369 HydrophobicContact CD-CD1 3.97Å; K294-L369 HydrophobicContact CD-CD2 4.44Å; K294-L369 HydrophobicContact CD-CG 3.86Å; K294-L369 WeakPolarHBondContact CE-O 3.21Å; K294-L369 HydrophobicContact CG-CG 4.36Å; K294-L369 PolarHBondContact NZ-O 2.78Å |
| 295 | S | 95.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 29.3 Ų | 29.3 | 67% | 0.671 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.4 | 179.5 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | N293 K298 | N293-S295 PolarHBondContact O-N 3.47Å; N293-S295 VanDerWaalsContact O-N 3.13Å; S295-K298 WeakPolarHBondContact O-CE 3.49Å; S295-K298 PolarHBondContact O-NZ 2.87Å |
| 296 | T | 97.5 | Very high | 98.3 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -34 | -178.5 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | P165 P167 A168 N293 K294 K298 | P165-T296 HydrophobicContact CB-CG2 3.96Å; P167-T296 CarbonylContact C-O 3.6Å; P167-T296 WeakPolarHBondContact CA-O 3.05Å; A168-T296 PolarHBondContact N-O 3.25Å; N293-T296 PolarHBondContact O-N 3.14Å; N293-T296 PolarHBondContact O-OG1 3.49Å; K294-T296 VanDerWaalsContact C-N 3.25Å; K294-T296 PolarHBondContact O-N 3.13Å; T296-K298 WeakPolarHBondContact O-CG 3.39Å; T296-K298 PolarHBondContact O-N 2.99Å |
| 297 | I | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 118.6 | 179.9 | -63.4 | 168.7 | 0 | 0 | 0 | 110.1 | A168 F170 F289 I290 N293 A299 V371 | A168-I297 HydrophobicContact CB-CG1 4.32Å; A168-I297 CarbonylContact O-C 3.57Å; A168-I297 WeakPolarHBondContact O-CA 3.36Å; F170-I297 HydrophobicContact CB-CD1 4.31Å; F170-I297 HydrophobicContact CB-CG2 4.11Å; F170-I297 HydrophobicContact CD2-CD1 4.35Å; F289-I297 HydrophobicContact CE1-CD1 4.44Å; I290-I297 HydrophobicContact CB-CD1 4.27Å; I290-I297 HydrophobicContact CG1-CD1 4.1Å; I290-I297 HydrophobicContact CG2-CD1 4.16Å; N293-I297 HydrophobicContact CB-CD1 3.79Å; N293-I297 HydrophobicContact CB-CG1 4.2Å; N293-I297 WeakPolarHBondContact O-CG1 3.38Å; N293-I297 PolarHBondContact O-N 3.43Å; I297-A299 WeakPolarHBondContact CG2-O 3.43Å; I297-V371 HydrophobicContact CG2-CG1 4Å; I297-V371 HydrophobicContact CG2-CG2 4.06Å |
| 298 | K | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 30.5 Ų | 30.5 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -20.5 | -179.3 | -54 | -55.2 | 169 | 178.7 | 0 | 113.3 | P167 A168 S295 T296 Y373 V412 L416 Y417 | P167-K298 HydrophobicContact CB-CG 4.01Å; A168-K298 PolarHBondContact O-N 2.94Å; S295-K298 WeakPolarHBondContact O-CE 3.49Å; S295-K298 PolarHBondContact O-NZ 2.87Å; T296-K298 WeakPolarHBondContact O-CG 3.39Å; T296-K298 PolarHBondContact O-N 2.99Å; K298-Y373 WeakPolarHBondContact O-CD2 3.15Å; K298-V412 HydrophobicContact CB-CG1 3.79Å; K298-L416 HydrophobicContact CG-CD2 4.04Å; K298-Y417 HydrophobicContact CB-CE1 4.09Å; K298-Y417 HydrophobicContact CD-CD1 4.24Å; K298-Y417 HydrophobicContact CD-CE1 3.87Å; K298-Y417 HydrophobicContact CD-CE2 4.39Å; K298-Y417 WeakPolarHBondContact CE-O 3.4Å; K298-Y417 HydrophobicContact CG-CE1 4.5Å; K298-Y417 PolarHBondContact NZ-O 3.21Å |
| 299 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I169 F170 I297 Y373 V412 | I169-A299 HydrophobicContact CB-CB 4.5Å; I169-A299 HydrophobicContact CG1-CB 4.14Å; I169-A299 HydrophobicContact CG2-CB 4.16Å; F170-A299 PolarHBondContact N-O 2.97Å; I297-A299 WeakPolarHBondContact CG2-O 3.43Å; A299-Y373 CarbonylContact C-O 3.6Å; A299-Y373 WeakPolarHBondContact CA-O 3.47Å; A299-Y373 WeakPolarHBondContact CB-O 3.4Å; A299-V412 HydrophobicContact CB-CG1 4.33Å; A299-V412 HydrophobicContact CB-CG2 3.81Å |
| 300 | Y | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120 | 174.8 | 178.1 | -103.6 | 0 | 0 | 0 | 108.4 | F170 D172 I290 T302 S362 D363 A366 Y373 S374 Y375 | F170-Y300 HydrophobicContact CB-CD2 4.28Å; F170-Y300 AromaticContact CD1-CD2 3.73Å; F170-Y300 HydrophobicContact CD1-CD2 3.73Å; F170-Y300 AromaticContact CD1-CE2 3.62Å; F170-Y300 HydrophobicContact CD1-CE2 3.62Å; F170-Y300 HydrophobicContact CE1-CE2 4.05Å; F170-Y300 HydrophobicContact CG-CD2 4.38Å; F170-Y300 CarbonylContact O-C 3.53Å; F170-Y300 WeakPolarHBondContact O-CA 3.35Å; D172-Y300 PolarHBondContact OD1-OH 2.82Å; D172-Y300 WeakPolarHBondContact OD2-CE2 3.29Å; D172-Y300 PolarHBondContact OD2-OH 2.93Å; I290-Y300 HydrophobicContact CD1-CD2 3.95Å; I290-Y300 HydrophobicContact CD1-CE2 3.85Å; Y300-T302 HydrophobicContact CE1-CG2 3.87Å; Y300-S362 WeakPolarHBondContact OH-CB 3.37Å; Y300-S362 PolarHBondContact OH-OG 2.84Å; Y300-D363 HydrophobicContact CD1-CB 4.45Å; Y300-D363 HydrophobicContact CE1-CB 4.32Å; Y300-A366 HydrophobicContact CD1-CB 3.72Å; Y300-A366 HydrophobicContact CD2-CB 4.27Å; Y300-A366 HydrophobicContact CE1-CB 4.38Å; Y300-A366 HydrophobicContact CG-CB 3.66Å; Y300-Y373 PolarHBondContact N-O 3.23Å; Y300-S374 CarbonylContact O-C 3.59Å; Y300-S374 WeakPolarHBondContact O-CA 3.48Å; Y300-Y375 PolarHBondContact O-N 3.46Å |
| 301 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 109.7 | -179.5 | -51.4 | -179.2 | 0 | 0 | 0 | 108.3 | I169 F170 M171 D172 Y375 F377 V405 I408 | I169-L301 HydrophobicContact CG2-CD1 3.82Å; I169-L301 HydrophobicContact CG2-CG 3.97Å; F170-L301 PolarHBondContact O-N 3.36Å; M171-L301 WeakPolarHBondContact CA-O 3.37Å; M171-L301 HydrophobicContact CB-CB 4.32Å; M171-L301 HydrophobicContact CG-CB 4.15Å; D172-L301 PolarHBondContact N-O 3.3Å; L301-Y375 WeakPolarHBondContact CA-O 3.21Å; L301-Y375 HydrophobicContact CD2-CD2 3.89Å; L301-Y375 HydrophobicContact CD2-CG 4.44Å; L301-F377 HydrophobicContact CD2-CE2 4.44Å; L301-V405 HydrophobicContact CD1-CG1 4.08Å; L301-V405 HydrophobicContact CD1-CG2 4.42Å; L301-I408 HydrophobicContact CD2-CD1 4.32Å; L301-I408 HydrophobicContact CD2-CG2 4.12Å |
| 302 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.4 | 174.6 | -172 | 0 | 0 | 0 | 0 | 110 | D172 Y300 H304 D363 Y375 T376 F377 | D172-T302 WeakPolarHBondContact OD1-CA 3.31Å; D172-T302 WeakPolarHBondContact OD1-CB 3.49Å; D172-T302 PolarHBondContact OD1-OG1 2.72Å; Y300-T302 HydrophobicContact CE1-CG2 3.87Å; T302-H304 PolarHBondContact OG1-NE2 3.24Å; T302-D363 HydrophobicContact CG2-CB 4.32Å; T302-Y375 PolarHBondContact N-O 2.99Å; T302-T376 HydrophobicContact CG2-CG2 4.11Å; T302-T376 WeakPolarHBondContact CG2-OG1 3.37Å; T302-T376 WeakPolarHBondContact O-CA 3.29Å; T302-F377 PolarHBondContact O-N 3.11Å |
| 303 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.2 | -170.6 | -47.2 | -60 | 0 | 0 | 0 | 109.5 | M171 D172 S182 F185 F377 L379 | M171-I303 HydrophobicContact CG-CG1 4.12Å; M171-I303 HydrophobicContact SD-CD1 4.49Å; M171-I303 HydrophobicContact SD-CG1 4.37Å; D172-I303 WeakPolarHBondContact O-CG1 3.3Å; D172-I303 PolarHBondContact O-N 3.32Å; S182-I303 VanDerWaalsContact CB-O 3.31Å; S182-I303 WeakPolarHBondContact CB-O 3.43Å; S182-I303 PolarHBondContact OG-O 3Å; F185-I303 HydrophobicContact CD1-CD1 4.31Å; F185-I303 HydrophobicContact CD1-CG1 3.98Å; F185-I303 HydrophobicContact CD1-CG2 3.94Å; F185-I303 HydrophobicContact CE1-CD1 4.09Å; F185-I303 HydrophobicContact CE1-CG1 4.15Å; I303-F377 HydrophobicContact CD1-CB 3.83Å; I303-F377 HydrophobicContact CD1-CD2 3.52Å; I303-F377 HydrophobicContact CD1-CE2 4.31Å; I303-F377 HydrophobicContact CD1-CG 3.86Å; I303-F377 HydrophobicContact CG2-CB 4.47Å; I303-L379 HydrophobicContact CG2-CD1 3.59Å; I303-L379 HydrophobicContact CG2-CD2 4.3Å; I303-L379 HydrophobicContact CG2-CG 3.87Å |
| 304 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 177.5 | -175.8 | -74.4 | -88.5 | 0 | 0 | 0 | 111.2 | F175 H176 E179 T302 F377 E378 L379 | F175-H304 VanDerWaalsContact CB-CE1 3.45Å; F175-H304 WeakPolarHBondContact CB-CE1 3.13Å; H176-H304 AromaticContact CE1-CE1 3.47Å; H176-H304 PolarHBondContact CE1-CE1 3.15Å; H176-H304 VanDerWaalsContact CE1-CE1 3.47Å; H176-H304 AromaticContact CE1-ND1 3.57Å; H176-H304 AromaticContact ND1-CE1 3.6Å; H176-H304 AromaticContact ND1-ND1 3.32Å; H176-H304 PolarHBondContact ND1-ND1 3Å; E179-H304 IonicContact OE1-ND1 3.66Å; E179-H304 WeakPolarHBondContact OE2-CA 3.3Å; E179-H304 VanDerWaalsContact OE2-CB 3.3Å; E179-H304 WeakPolarHBondContact OE2-CB 3.32Å; E179-H304 IonicContact OE2-CG 3.39Å; E179-H304 IonicContact OE2-ND1 3.49Å; E179-H304 PolarHBondContact OE2-ND1 2.89Å; T302-H304 PolarHBondContact OG1-NE2 3.24Å; H304-F377 CarbonylContact C-O 3.59Å; H304-F377 VanDerWaalsContact CA-O 3.31Å; H304-F377 WeakPolarHBondContact CA-O 3.27Å; H304-F377 WeakPolarHBondContact CB-O 3.43Å; H304-F377 PolarHBondContact N-O 2.78Å; H304-E378 WeakPolarHBondContact CB-OE2 3.24Å; H304-L379 WeakPolarHBondContact O-CB 3.33Å; H304-L379 VanDerWaalsContact O-CG 3.31Å; H304-L379 WeakPolarHBondContact O-CG 3.45Å; H304-L379 PolarHBondContact O-N 3.45Å |
| 305 | S | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 154.8 | 165.8 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | E179 I181 E378 F387 | E179-S305 VanDerWaalsContact CB-OG 3.27Å; E179-S305 WeakPolarHBondContact CB-OG 3.28Å; E179-S305 WeakPolarHBondContact CG-O 3.43Å; E179-S305 WeakPolarHBondContact CG-OG 3.42Å; E179-S305 VanDerWaalsContact OE1-O 3.11Å; E179-S305 PolarHBondContact OE2-N 3.33Å; I181-S305 WeakPolarHBondContact CG2-OG 3.3Å; S305-E378 VanDerWaalsContact CA-OE2 3.25Å; S305-E378 WeakPolarHBondContact CA-OE2 3.4Å; S305-E378 PolarHBondContact N-OE2 2.69Å; S305-F387 VanDerWaalsContact O-CE1 3.23Å; S305-F387 WeakPolarHBondContact O-CE1 3.4Å |
| 306 | Y | 98.4 | Very high | 98.6 | Very high | 9 Ų | 9 | 9.9 Ų | 9.9 | 4% | 0.035 | 5% | 0.046 | C | C | . | . | S | Bend | cis | -122.6 | 164.2 | 3.8 | 64.8 | -86.2 | 0 | 0 | 0 | 109 | W52 D67 L379 G386 F387 | W52-Y306 HydrophobicContact CB-CE1 4.21Å; W52-Y306 WeakPolarHBondContact CB-OH 3.38Å; W52-Y306 AromaticContact CE3-CE1 3.87Å; W52-Y306 HydrophobicContact CE3-CE1 3.87Å; D67-Y306 WeakPolarHBondContact CB-OH 3.33Å; D67-Y306 PolarHBondContact OD2-OH 3.26Å; Y306-L379 WeakPolarHBondContact CA-O 3.26Å; Y306-G386 VanDerWaalsContact CD1-CA 3.43Å; Y306-F387 AromaticContact CD1-CD1 3.71Å; Y306-F387 HydrophobicContact CD1-CD1 3.71Å; Y306-F387 AromaticContact CD1-CE1 3.52Å; Y306-F387 HydrophobicContact CD1-CE1 3.52Å; Y306-F387 HydrophobicContact CD1-CE2 4.36Å; Y306-F387 HydrophobicContact CD1-CG 4.22Å; Y306-F387 AromaticContact CD1-CZ 3.85Å; Y306-F387 HydrophobicContact CD1-CZ 3.85Å; Y306-F387 HydrophobicContact CE1-CD1 4.18Å; Y306-F387 HydrophobicContact CE1-CD2 4.24Å; Y306-F387 AromaticContact CE1-CE1 3.81Å; Y306-F387 HydrophobicContact CE1-CE1 3.81Å; Y306-F387 AromaticContact CE1-CE2 3.86Å; Y306-F387 HydrophobicContact CE1-CE2 3.86Å; Y306-F387 HydrophobicContact CE1-CG 4.37Å; Y306-F387 AromaticContact CE1-CZ 3.62Å; Y306-F387 HydrophobicContact CE1-CZ 3.62Å |
| 307 | S | 97.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 10.8 Ų | 10.8 | 6% | 0.056 | 5% | 0.052 | C | C | . | . | S | Bend | trans | 160.1 | -4.1 | 157.6 | -81.1 | 0 | 0 | 0 | 0 | 112 | R53 L379 D381 | R53-S307 PolarHBondContact NH1-OG 2.95Å; S307-L379 PolarHBondContact N-O 3.44Å; S307-L379 VanDerWaalsContact N-O 3.08Å; S307-D381 CarbonylContact C-O 3.46Å; S307-D381 WeakPolarHBondContact CA-O 3.47Å; S307-D381 PolarHBondContact N-O 2.83Å |
| 308 | Q | 98.8 | Very high | 98.5 | Very high | 27 Ų | 27 | 17.3 Ų | 17.3 | 13% | 0.126 | 8% | 0.081 | C | C | . | . | trans | 57.6 | 61 | -172.2 | -59.4 | 176.5 | -177.9 | 0 | 0 | 111.5 | T344 R345 Y346 T347 E378 L379 R380 T382 | Q308-T344 VanDerWaalsContact CD-CG2 3.42Å; Q308-T344 HydrophobicContact CG-CG2 4.24Å; Q308-R345 WeakPolarHBondContact CB-O 3.04Å; Q308-R345 PolarHBondContact NE2-O 3.41Å; Q308-Y346 VanDerWaalsContact C-CD1 3.46Å; Q308-Y346 HydrophobicContact CB-CD1 4.4Å; Q308-Y346 HydrophobicContact CB-CD2 3.73Å; Q308-Y346 HydrophobicContact CB-CE1 4.39Å; Q308-Y346 HydrophobicContact CB-CE2 3.72Å; Q308-Y346 HydrophobicContact CB-CG 4.08Å; Q308-Y346 HydrophobicContact CG-CD2 4.27Å; Q308-Y346 HydrophobicContact CG-CE2 3.81Å; Q308-Y346 CarbonylContact O-C 3.52Å; Q308-Y346 WeakPolarHBondContact O-CA 3.36Å; Q308-T347 PolarHBondContact O-N 2.84Å; Q308-E378 CarbonylContact C-O 3.48Å; Q308-E378 WeakPolarHBondContact CA-O 3.43Å; Q308-E378 PolarHBondContact N-O 2.6Å; Q308-L379 PolarHBondContact N-O 3.07Å; Q308-L379 VanDerWaalsContact N-O 3.12Å; Q308-R380 HydrophobicContact CG-CG 4.37Å; Q308-T382 HydrophobicContact CB-CG2 4.34Å; Q308-T382 HydrophobicContact CG-CG2 4.12Å | ||
| 309 | L | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146.2 | 177.9 | -50.9 | 173.2 | 0 | 0 | 0 | 110.5 | L311 Y346 T347 I355 E378 | L309-L311 HydrophobicContact CB-CD1 4.34Å; L309-L311 HydrophobicContact CB-CD2 3.88Å; L309-L311 HydrophobicContact CB-CG 3.87Å; L309-L311 HydrophobicContact CD1-CD1 4.29Å; L309-L311 HydrophobicContact CD1-CD2 4.3Å; L309-Y346 WeakPolarHBondContact O-CD1 3.46Å; L309-T347 CarbonylContact C-O 3.31Å; L309-T347 WeakPolarHBondContact CA-O 3.49Å; L309-I355 HydrophobicContact CD1-CB 4.05Å; L309-I355 HydrophobicContact CD1-CD1 3.83Å; L309-I355 HydrophobicContact CD1-CG1 3.8Å; L309-E378 HydrophobicContact CB-CB 3.87Å; L309-E378 HydrophobicContact CB-CG 4.12Å; L309-E378 HydrophobicContact CD1-CB 4.5Å; L309-E378 HydrophobicContact CD1-CG 4.26Å; L309-E378 HydrophobicContact CG-CB 4.24Å; L309-E378 HydrophobicContact CG-CG 4.48Å; L309-E378 PolarHBondContact N-O 2.64Å; L309-E378 PolarHBondContact O-N 3.09Å |
| 310 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 97.1 | 166.9 | 178.6 | 52.6 | 0 | 0 | 0 | 108.4 | A331 A334 Y346 T347 S348 G349 Y375 F377 I408 | L310-A331 HydrophobicContact CD2-CB 4.03Å; L310-A331 WeakPolarHBondContact CD2-O 3.4Å; L310-A331 HydrophobicContact CG-CB 3.98Å; L310-A334 HydrophobicContact CD2-CB 3.69Å; L310-Y346 HydrophobicContact CB-CD1 4.46Å; L310-T347 PolarHBondContact N-O 3.33Å; L310-S348 VanDerWaalsContact O-CA 3.26Å; L310-S348 WeakPolarHBondContact O-CA 3.34Å; L310-G349 PolarHBondContact O-N 3.1Å; L310-Y375 HydrophobicContact CD1-CD1 4.2Å; L310-Y375 HydrophobicContact CD1-CG 4.38Å; L310-F377 HydrophobicContact CD1-CD1 3.89Å; L310-F377 HydrophobicContact CD1-CD2 3.82Å; L310-F377 HydrophobicContact CD1-CE1 3.69Å; L310-F377 HydrophobicContact CD1-CE2 3.63Å; L310-F377 HydrophobicContact CD1-CG 3.95Å; L310-F377 HydrophobicContact CD1-CZ 3.57Å; L310-F377 HydrophobicContact CD2-CE1 4.13Å; L310-F377 HydrophobicContact CD2-CZ 4.2Å; L310-F377 HydrophobicContact CG-CE1 4.43Å; L310-I408 HydrophobicContact CD2-CD1 4.4Å |
| 311 | L | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 158.8 | -170.1 | -53.1 | 175.5 | 0 | 0 | 0 | 111 | L309 G349 S351 T354 I355 Y375 T376 E378 | L309-L311 HydrophobicContact CB-CD1 4.34Å; L309-L311 HydrophobicContact CB-CD2 3.88Å; L309-L311 HydrophobicContact CB-CG 3.87Å; L309-L311 HydrophobicContact CD1-CD1 4.29Å; L309-L311 HydrophobicContact CD1-CD2 4.3Å; L311-G349 WeakPolarHBondContact CA-O 3.49Å; L311-S351 WeakPolarHBondContact CB-OG 3.46Å; L311-T354 HydrophobicContact CD2-CG2 3.62Å; L311-I355 HydrophobicContact CD1-CB 4.25Å; L311-I355 HydrophobicContact CD1-CG2 3.91Å; L311-Y375 VanDerWaalsContact O-CA 3.29Å; L311-Y375 WeakPolarHBondContact O-CA 3.22Å; L311-T376 PolarHBondContact N-O 2.87Å; L311-T376 PolarHBondContact O-N 3.33Å; L311-E378 HydrophobicContact CD1-CG 4.45Å |
| 312 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 165.5 | 172.5 | 59.4 | -91.6 | 0 | 0 | 0 | 110.5 | H324 L327 L328 A331 G349 P350 S351 Y375 | F312-H324 AromaticContact CE2-CE1 3.93Å; F312-H324 AromaticContact CE2-ND1 3.52Å; F312-H324 AromaticContact CZ-CE1 3.91Å; F312-H324 AromaticContact CZ-ND1 3.96Å; F312-L327 HydrophobicContact CB-CB 4.34Å; F312-L327 HydrophobicContact CB-CD1 4.44Å; F312-L327 HydrophobicContact CD1-CB 4.35Å; F312-L327 HydrophobicContact CD2-CB 3.59Å; F312-L327 HydrophobicContact CD2-CD1 3.84Å; F312-L327 HydrophobicContact CD2-CG 4.37Å; F312-L327 HydrophobicContact CE2-CB 3.9Å; F312-L327 HydrophobicContact CG-CB 3.84Å; F312-L327 HydrophobicContact CG-CD1 4.44Å; F312-L327 HydrophobicContact CZ-CB 4.41Å; F312-L328 HydrophobicContact CE1-CB 4.05Å; F312-L328 HydrophobicContact CE1-CD1 3.89Å; F312-L328 HydrophobicContact CZ-CB 3.74Å; F312-L328 HydrophobicContact CZ-CD1 4.06Å; F312-L328 HydrophobicContact CZ-CG 4.47Å; F312-A331 HydrophobicContact CD1-CB 4.2Å; F312-A331 HydrophobicContact CE1-CB 4.4Å; F312-G349 WeakPolarHBondContact CD1-O 3.31Å; F312-G349 VanDerWaalsContact CE1-CA 3.44Å; F312-G349 WeakPolarHBondContact CE1-O 3.2Å; F312-G349 PolarHBondContact N-O 3.47Å; F312-P350 HydrophobicContact CE2-CB 4.1Å; F312-P350 HydrophobicContact CZ-CB 4.39Å; F312-P350 CarbonylContact O-C 3.54Å; F312-P350 VanDerWaalsContact O-CA 3.24Å; F312-P350 WeakPolarHBondContact O-CA 3.38Å; F312-S351 PolarHBondContact O-N 2.71Å; F312-S351 PolarHBondContact O-OG 3.3Å; F312-Y375 HydrophobicContact CB-CD1 3.79Å; F312-Y375 HydrophobicContact CB-CE1 3.9Å; F312-Y375 HydrophobicContact CD1-CE1 4.38Å; F312-Y375 HydrophobicContact CG-CE1 4.42Å |
| 313 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -55.4 | 146.4 | -178.8 | -33 | 39.4 | 0 | 0 | 0 | 115.3 | D364 Y367 S374 | P313-D364 WeakPolarHBondContact CA-OD1 3.4Å; P313-D364 VanDerWaalsContact CB-OD1 3.27Å; P313-D364 WeakPolarHBondContact CB-OD1 3.29Å; P313-Y367 HydrophobicContact CB-CD1 4.06Å; P313-Y367 HydrophobicContact CB-CG 4.08Å; P313-Y367 HydrophobicContact CG-CD1 4.43Å; P313-Y367 HydrophobicContact CG-CG 3.95Å; P313-S374 WeakPolarHBondContact CD-O 3.21Å |
| 314 | Y | 98.6 | Very high | 98.2 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | cis | -102.7 | 149.7 | 6.5 | -72.9 | -74.1 | 0 | 0 | 0 | 114.3 | Y316 T317 A321 A352 D364 Y367 D368 | Y314-Y316 HydrophobicContact CD1-CD1 4.14Å; Y314-Y316 AromaticContact CD1-CE1 3.49Å; Y314-Y316 HydrophobicContact CD1-CE1 3.49Å; Y314-Y316 VanDerWaalsContact CD1-CE1 3.49Å; Y314-Y316 AromaticContact CD1-CZ 3.74Å; Y314-Y316 AromaticContact CE1-CE1 3.7Å; Y314-Y316 HydrophobicContact CE1-CE1 3.7Å; Y314-Y316 AromaticContact CE1-CZ 3.78Å; Y314-Y316 WeakPolarHBondContact CE1-OH 3.28Å; Y314-T317 HydrophobicContact CD1-CG2 4.46Å; Y314-T317 HydrophobicContact CD2-CG2 4.13Å; Y314-T317 HydrophobicContact CG-CG2 3.81Å; Y314-A321 HydrophobicContact CD2-CB 4.3Å; Y314-A321 HydrophobicContact CE2-CB 4.16Å; Y314-A352 WeakPolarHBondContact O-CB 3Å; Y314-A352 PolarHBondContact O-N 3.03Å; Y314-D364 VanDerWaalsContact CA-OD1 3.28Å; Y314-D364 WeakPolarHBondContact CA-OD1 3.25Å; Y314-D364 HydrophobicContact CD1-CB 4.36Å; Y314-Y367 AromaticContact CE1-CD1 3.96Å; Y314-Y367 HydrophobicContact CE1-CD1 3.96Å; Y314-Y367 HydrophobicContact CE2-CD1 4.36Å; Y314-Y367 HydrophobicContact CE2-CE1 4.18Å; Y314-Y367 AromaticContact CZ-CD1 3.66Å; Y314-Y367 AromaticContact CZ-CE1 3.84Å; Y314-Y367 WeakPolarHBondContact OH-CD1 3.24Å; Y314-Y367 WeakPolarHBondContact OH-CE1 3.44Å; Y314-D368 WeakPolarHBondContact CE1-OD1 3.38Å; Y314-D368 VanDerWaalsContact CZ-OD1 3.31Å; Y314-D368 PolarHBondContact OH-OD1 2.69Å | ||
| 315 | A | 97.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -98.8 | -38.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T317 S351 P357 A358 D364 | A315-T317 VanDerWaalsContact C-N 3.26Å; A315-T317 PolarHBondContact O-N 3.37Å; A315-S351 VanDerWaalsContact CB-CB 3.48Å; A315-P357 CarbonylContact O-C 3.6Å; A315-P357 VanDerWaalsContact O-CA 3.28Å; A315-P357 WeakPolarHBondContact O-CA 3.4Å; A315-A358 CarbonylContact C-O 3.58Å; A315-A358 WeakPolarHBondContact CB-O 3.42Å; A315-A358 PolarHBondContact O-N 3.35Å; A315-D364 WeakPolarHBondContact CA-OD2 3.43Å; A315-D364 VanDerWaalsContact CB-OD2 3.3Å; A315-D364 WeakPolarHBondContact CB-OD2 3.29Å; A315-D364 VanDerWaalsContact N-CG 3.31Å; A315-D364 PolarHBondContact N-OD1 3.35Å; A315-D364 PolarHBondContact N-OD2 2.89Å |
| 316 | Y | 97.4 | Very high | 98.2 | Very high | 58 Ų | 58 | 40.5 Ų | 40.5 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -77.5 | -8.8 | -176.9 | 70.9 | -107.9 | 0 | 0 | 0 | 114.1 | A256 Y314 A358 D364 D368 | A256-Y316 HydrophobicContact CB-CD1 3.98Å; A256-Y316 HydrophobicContact CB-CE1 4.04Å; Y314-Y316 HydrophobicContact CD1-CD1 4.14Å; Y314-Y316 AromaticContact CD1-CE1 3.49Å; Y314-Y316 HydrophobicContact CD1-CE1 3.49Å; Y314-Y316 VanDerWaalsContact CD1-CE1 3.49Å; Y314-Y316 AromaticContact CD1-CZ 3.74Å; Y314-Y316 AromaticContact CE1-CE1 3.7Å; Y314-Y316 HydrophobicContact CE1-CE1 3.7Å; Y314-Y316 AromaticContact CE1-CZ 3.78Å; Y314-Y316 WeakPolarHBondContact CE1-OH 3.28Å; Y316-A358 WeakPolarHBondContact CA-O 3.38Å; Y316-A358 PolarHBondContact N-O 3.43Å; Y316-A358 VanDerWaalsContact N-O 3.16Å; Y316-D364 HydrophobicContact CD1-CB 3.73Å; Y316-D364 WeakPolarHBondContact CD1-OD2 3.07Å; Y316-D364 HydrophobicContact CE1-CB 3.91Å; Y316-D364 PolarHBondContact N-OD2 3.36Å; Y316-D368 VanDerWaalsContact CE1-OD2 3.29Å; Y316-D368 WeakPolarHBondContact CE1-OD2 3.44Å; Y316-D368 PolarHBondContact OH-OD1 3.04Å; Y316-D368 PolarHBondContact OH-OD2 3.45Å |
| 317 | T | 97.2 | Very high | 98.2 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | trans | -150.2 | 155.6 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | Y314 A315 S319 A352 | Y314-T317 HydrophobicContact CD1-CG2 4.46Å; Y314-T317 HydrophobicContact CD2-CG2 4.13Å; Y314-T317 HydrophobicContact CG-CG2 3.81Å; A315-T317 VanDerWaalsContact C-N 3.26Å; A315-T317 PolarHBondContact O-N 3.37Å; T317-S319 VanDerWaalsContact C-N 3.27Å; T317-S319 PolarHBondContact OG1-N 3.5Å; T317-S319 PolarHBondContact OG1-OG 2.88Å; T317-A352 WeakPolarHBondContact O-CB 3.35Å | ||
| 318 | F | 96.9 | Very high | 98.3 | Very high | 137 Ų | 137 | 41.8 Ų | 41.8 | 60% | 0.601 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -83.3 | -0.9 | 171.4 | -67.8 | -73.6 | 0 | 0 | 0 | 113.4 | A352 P357 | F318-A352 HydrophobicContact CD1-CB 3.95Å; F318-A352 HydrophobicContact CE1-CB 4Å; F318-A352 WeakPolarHBondContact CE1-O 3.29Å; F318-P357 HydrophobicContact CZ-CB 4.35Å; F318-P357 HydrophobicContact CZ-CG 4.17Å |
| 319 | S | 97.2 | Very high | 98.3 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -62.6 | 140.8 | 170 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | T317 | T317-S319 VanDerWaalsContact C-N 3.27Å; T317-S319 PolarHBondContact OG1-N 3.5Å; T317-S319 PolarHBondContact OG1-OG 2.88Å |
| 320 | L | 97.8 | Very high | 98.3 | Very high | 109 Ų | 109 | 47.3 Ų | 47.3 | 57% | 0.571 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 141.3 | 174.1 | -56.2 | -172.4 | 0 | 0 | 0 | 110.5 | H324 | L320-H324 HydrophobicContact CB-CB 4Š|
| 321 | A | 97.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 149.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y314 D323 H324 L327 Y367 | Y314-A321 HydrophobicContact CD2-CB 4.3Å; Y314-A321 HydrophobicContact CE2-CB 4.16Å; A321-D323 PolarHBondContact O-N 2.62Å; A321-H324 HydrophobicContact CB-CB 4.48Å; A321-H324 WeakPolarHBondContact O-CB 3.36Å; A321-H324 PolarHBondContact O-N 3.5Å; A321-L327 HydrophobicContact CB-CD1 4.09Å; A321-Y367 HydrophobicContact CB-CE1 3.7Å |
| 322 | A | 98.3 | Very high | 98.3 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 81% | 0.81 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y367 | A322-Y367 PolarHBondContact N-OH 3.01Š|
| 323 | D | 98.4 | Very high | 98.3 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 16.6 | 178.8 | -56.5 | -84.6 | 0 | 0 | 0 | 113.4 | A321 S325 E326 L327 Y367 K372 | A321-D323 PolarHBondContact O-N 2.62Å; D323-S325 VanDerWaalsContact C-N 3.32Å; D323-S325 PolarHBondContact O-N 3.45Å; D323-S325 VanDerWaalsContact O-N 3.11Å; D323-E326 PolarHBondContact O-N 2.94Å; D323-L327 HydrophobicContact CB-CD1 4.4Å; D323-L327 HydrophobicContact CB-CG 4.23Å; D323-L327 PolarHBondContact O-N 3.19Å; D323-Y367 PolarHBondContact N-OH 3.3Å; D323-Y367 VanDerWaalsContact N-OH 3.16Å; D323-Y367 PolarHBondContact OD2-OH 2.96Å; D323-K372 HydrophobicContact CB-CG 4.42Å; D323-K372 VanDerWaalsContact OD1-CE 3.24Å; D323-K372 WeakPolarHBondContact OD1-CE 3.32Å; D323-K372 IonicContact OD1-NZ 2.94Å; D323-K372 PolarHBondContact OD1-NZ 2.86Å |
| 324 | H | 98.6 | Very high | 98.3 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -47.2 | -47.7 | -170.5 | 174.4 | 92.9 | 0 | 0 | 0 | 114.4 | F312 L320 A321 E326 L327 L328 | F312-H324 AromaticContact CE2-CE1 3.93Å; F312-H324 AromaticContact CE2-ND1 3.52Å; F312-H324 AromaticContact CZ-CE1 3.91Å; F312-H324 AromaticContact CZ-ND1 3.96Å; L320-H324 HydrophobicContact CB-CB 4Å; A321-H324 HydrophobicContact CB-CB 4.48Å; A321-H324 WeakPolarHBondContact O-CB 3.36Å; A321-H324 PolarHBondContact O-N 3.5Å; H324-E326 VanDerWaalsContact C-N 3.27Å; H324-E326 PolarHBondContact O-N 3.33Å; H324-L327 PolarHBondContact O-N 3.32Å; H324-L328 WeakPolarHBondContact O-CB 3.2Å; H324-L328 PolarHBondContact O-N 2.92Å |
| 325 | S | 98.6 | Very high | 98.3 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 69% | 0.692 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63 | -34.1 | -178 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | D323 K329 | D323-S325 VanDerWaalsContact C-N 3.32Å; D323-S325 PolarHBondContact O-N 3.45Å; D323-S325 VanDerWaalsContact O-N 3.11Å; S325-K329 WeakPolarHBondContact O-CB 3.43Å; S325-K329 PolarHBondContact O-N 2.88Å |
| 326 | E | 98.8 | Very high | 98.4 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76.4 | -44.2 | 176.7 | -175.1 | 173.5 | -178.9 | 0 | 0 | 111.1 | D323 H324 L328 K329 V330 K372 Y373 H411 | D323-E326 PolarHBondContact O-N 2.94Å; H324-E326 VanDerWaalsContact C-N 3.27Å; H324-E326 PolarHBondContact O-N 3.33Å; E326-L328 VanDerWaalsContact C-N 3.33Å; E326-L328 PolarHBondContact O-N 3.03Å; E326-K329 PolarHBondContact O-N 2.93Å; E326-V330 HydrophobicContact CG-CG2 4.43Å; E326-V330 WeakPolarHBondContact O-CG2 3.43Å; E326-V330 PolarHBondContact O-N 3.27Å; E326-K372 WeakPolarHBondContact OE2-CE 3.23Å; E326-K372 IonicContact OE2-NZ 3.04Å; E326-K372 PolarHBondContact OE2-NZ 3.45Å; E326-Y373 PolarHBondContact OE1-OH 3.45Å; E326-Y373 VanDerWaalsContact OE1-OH 3.1Å; E326-H411 IonicContact OE1-CD2 2.7Å; E326-H411 IonicContact OE1-CE1 3.89Å; E326-H411 IonicContact OE1-NE2 3.52Å; E326-H411 PolarHBondContact OE1-NE2 3.01Å |
| 327 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 177.9 | -64.9 | 175.9 | 0 | 0 | 0 | 111.7 | F312 A321 D323 H324 K329 V330 A331 Y367 K372 Y373 Y375 | F312-L327 HydrophobicContact CB-CB 4.34Å; F312-L327 HydrophobicContact CB-CD1 4.44Å; F312-L327 HydrophobicContact CD1-CB 4.35Å; F312-L327 HydrophobicContact CD2-CB 3.59Å; F312-L327 HydrophobicContact CD2-CD1 3.84Å; F312-L327 HydrophobicContact CD2-CG 4.37Å; F312-L327 HydrophobicContact CE2-CB 3.9Å; F312-L327 HydrophobicContact CG-CB 3.84Å; F312-L327 HydrophobicContact CG-CD1 4.44Å; F312-L327 HydrophobicContact CZ-CB 4.41Å; A321-L327 HydrophobicContact CB-CD1 4.09Å; D323-L327 HydrophobicContact CB-CD1 4.4Å; D323-L327 HydrophobicContact CB-CG 4.23Å; D323-L327 PolarHBondContact O-N 3.19Å; H324-L327 PolarHBondContact O-N 3.32Å; L327-K329 PolarHBondContact O-N 3.44Å; L327-V330 PolarHBondContact O-N 2.87Å; L327-A331 WeakPolarHBondContact O-CB 3.28Å; L327-A331 PolarHBondContact O-N 3.19Å; L327-Y367 HydrophobicContact CD1-CE2 4.07Å; L327-K372 WeakPolarHBondContact CD2-O 3.5Å; L327-Y373 HydrophobicContact CD2-CD1 4.25Å; L327-Y375 WeakPolarHBondContact CA-OH 3.48Å; L327-Y375 HydrophobicContact CB-CE1 4.43Å; L327-Y375 HydrophobicContact CD2-CE1 4.34Å; L327-Y375 HydrophobicContact CD2-CE2 4.38Å; L327-Y375 WeakPolarHBondContact CD2-OH 3.27Å; L327-Y375 PolarHBondContact O-OH 2.93Å |
| 328 | L | 98.8 | Very high | 98.5 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 176.6 | -177.4 | 59.3 | 0 | 0 | 0 | 111.6 | F312 H324 E326 V330 A331 E332 | F312-L328 HydrophobicContact CE1-CB 4.05Å; F312-L328 HydrophobicContact CE1-CD1 3.89Å; F312-L328 HydrophobicContact CZ-CB 3.74Å; F312-L328 HydrophobicContact CZ-CD1 4.06Å; F312-L328 HydrophobicContact CZ-CG 4.47Å; H324-L328 WeakPolarHBondContact O-CB 3.2Å; H324-L328 PolarHBondContact O-N 2.92Å; E326-L328 VanDerWaalsContact C-N 3.33Å; E326-L328 PolarHBondContact O-N 3.03Å; L328-V330 VanDerWaalsContact C-N 3.29Å; L328-V330 PolarHBondContact O-N 2.96Å; L328-A331 PolarHBondContact O-N 3.46Å; L328-E332 HydrophobicContact CD1-CG 4.12Å; L328-E332 HydrophobicContact CG-CG 4.41Å; L328-E332 WeakPolarHBondContact O-CB 3.22Å; L328-E332 WeakPolarHBondContact O-CG 3.46Å; L328-E332 PolarHBondContact O-N 3.12Å |
| 329 | K | 98.9 | Very high | 98.6 | Very high | 147 Ų | 147 | 46.1 Ų | 46.1 | 64% | 0.639 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.1 | -39.3 | -180 | -178.3 | -179.2 | 178.7 | -177.6 | 0 | 112.3 | S325 E326 L327 G333 | S325-K329 WeakPolarHBondContact O-CB 3.43Å; S325-K329 PolarHBondContact O-N 2.88Å; E326-K329 PolarHBondContact O-N 2.93Å; L327-K329 PolarHBondContact O-N 3.44Å; K329-G333 PolarHBondContact O-N 3.38Å; K329-G333 VanDerWaalsContact O-N 3.11Å |
| 330 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.8 | -43.3 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | E326 L327 L328 G333 A334 Y375 I408 H411 | E326-V330 HydrophobicContact CG-CG2 4.43Å; E326-V330 WeakPolarHBondContact O-CG2 3.43Å; E326-V330 PolarHBondContact O-N 3.27Å; L327-V330 PolarHBondContact O-N 2.87Å; L328-V330 VanDerWaalsContact C-N 3.29Å; L328-V330 PolarHBondContact O-N 2.96Å; V330-G333 PolarHBondContact O-N 3.33Å; V330-A334 WeakPolarHBondContact O-CB 3.5Å; V330-A334 PolarHBondContact O-N 3.4Å; V330-Y375 VanDerWaalsContact CB-OH 3.27Å; V330-Y375 WeakPolarHBondContact CB-OH 3.35Å; V330-Y375 HydrophobicContact CG1-CE2 4.28Å; V330-Y375 WeakPolarHBondContact CG1-OH 3.48Å; V330-I408 HydrophobicContact CG1-CG1 4.04Å; V330-I408 HydrophobicContact CG1-CG2 4.49Å; V330-H411 HydrophobicContact CG1-CB 4.42Å; V330-H411 HydrophobicContact CG2-CB 4.33Å; V330-H411 VanDerWaalsContact CG2-CD2 3.5Å; V330-H411 WeakPolarHBondContact CG2-CD2 3.21Å; V330-H411 WeakPolarHBondContact CG2-NE2 3.45Å |
| 331 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L310 F312 L327 L328 G333 A334 S335 S348 Y375 | L310-A331 HydrophobicContact CD2-CB 4.03Å; L310-A331 WeakPolarHBondContact CD2-O 3.4Å; L310-A331 HydrophobicContact CG-CB 3.98Å; F312-A331 HydrophobicContact CD1-CB 4.2Å; F312-A331 HydrophobicContact CE1-CB 4.4Å; L327-A331 WeakPolarHBondContact O-CB 3.28Å; L327-A331 PolarHBondContact O-N 3.19Å; L328-A331 PolarHBondContact O-N 3.46Å; A331-G333 VanDerWaalsContact C-N 3.34Å; A331-G333 PolarHBondContact O-N 3.39Å; A331-A334 PolarHBondContact O-N 2.94Å; A331-S335 WeakPolarHBondContact O-CB 3.18Å; A331-S335 PolarHBondContact O-N 3.36Å; A331-S335 PolarHBondContact O-OG 3.4Å; A331-S335 VanDerWaalsContact O-OG 3.12Å; A331-S348 PolarHBondContact O-OG 3.16Å; A331-Y375 HydrophobicContact CB-CD1 4.46Å; A331-Y375 HydrophobicContact CB-CE1 4Å |
| 332 | E | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 50 Ų | 50 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.8 | -71.9 | 176.9 | 155.1 | 0 | 0 | 112 | L328 S335 A336 | L328-E332 HydrophobicContact CD1-CG 4.12Å; L328-E332 HydrophobicContact CG-CG 4.41Å; L328-E332 WeakPolarHBondContact O-CB 3.22Å; L328-E332 WeakPolarHBondContact O-CG 3.46Å; L328-E332 PolarHBondContact O-N 3.12Å; E332-S335 PolarHBondContact O-N 2.61Å; E332-A336 WeakPolarHBondContact O-CB 3.37Å; E332-A336 PolarHBondContact O-N 3.22Å |
| 333 | G | 98.9 | Very high | 98.7 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | K329 V330 A331 A336 A337 | K329-G333 PolarHBondContact O-N 3.38Å; K329-G333 VanDerWaalsContact O-N 3.11Å; V330-G333 PolarHBondContact O-N 3.33Å; A331-G333 VanDerWaalsContact C-N 3.34Å; A331-G333 PolarHBondContact O-N 3.39Å; G333-A336 PolarHBondContact O-N 3.04Å; G333-A337 PolarHBondContact O-N 3.43Å |
| 334 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L310 V330 A331 A336 A337 L338 A404 Y407 I408 | L310-A334 HydrophobicContact CD2-CB 3.69Å; V330-A334 WeakPolarHBondContact O-CB 3.5Å; V330-A334 PolarHBondContact O-N 3.4Å; A331-A334 PolarHBondContact O-N 2.94Å; A334-A336 VanDerWaalsContact C-N 3.32Å; A334-A336 PolarHBondContact O-N 3.48Å; A334-A337 WeakPolarHBondContact O-CB 3.26Å; A334-A337 PolarHBondContact O-N 3.12Å; A334-L338 PolarHBondContact O-N 3.22Å; A334-A404 HydrophobicContact CB-CB 3.98Å; A334-Y407 HydrophobicContact CB-CD1 3.89Å; A334-Y407 HydrophobicContact CB-CG 4.37Å; A334-I408 HydrophobicContact CB-CD1 4.16Å; A334-I408 HydrophobicContact CB-CG1 3.79Å |
| 335 | S | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -38.5 | 174.3 | -67 | 0 | 0 | 0 | 0 | 112.2 | A331 E332 L338 T339 S348 | A331-S335 WeakPolarHBondContact O-CB 3.18Å; A331-S335 PolarHBondContact O-N 3.36Å; A331-S335 PolarHBondContact O-OG 3.4Å; A331-S335 VanDerWaalsContact O-OG 3.12Å; E332-S335 PolarHBondContact O-N 2.61Å; S335-L338 PolarHBondContact O-N 2.94Å; S335-T339 WeakPolarHBondContact O-CB 3.31Å; S335-T339 PolarHBondContact O-N 3.33Å; S335-T339 PolarHBondContact O-OG1 2.89Å; S335-S348 PolarHBondContact OG-OG 2.84Å |
| 336 | A | 98.9 | Very high | 98.8 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 50% | 0.504 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E332 G333 A334 T339 S340 | E332-A336 WeakPolarHBondContact O-CB 3.37Å; E332-A336 PolarHBondContact O-N 3.22Å; G333-A336 PolarHBondContact O-N 3.04Å; A334-A336 VanDerWaalsContact C-N 3.32Å; A334-A336 PolarHBondContact O-N 3.48Å; A336-T339 PolarHBondContact O-N 2.89Å; A336-S340 PolarHBondContact O-N 2.98Å; A336-S340 VanDerWaalsContact O-N 3.13Å |
| 337 | A | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 21% | 0.207 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G333 A334 S340 L403 Y407 | G333-A337 PolarHBondContact O-N 3.43Å; A334-A337 WeakPolarHBondContact O-CB 3.26Å; A334-A337 PolarHBondContact O-N 3.12Å; A337-S340 WeakPolarHBondContact O-CB 3.47Å; A337-S340 PolarHBondContact O-N 2.93Å; A337-S340 PolarHBondContact O-OG 3.36Å; A337-L403 HydrophobicContact CB-CB 4.34Å; A337-L403 WeakPolarHBondContact O-CD1 3.37Å; A337-Y407 HydrophobicContact CB-CD2 4.26Å |
| 338 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 173.4 | -175.5 | 160.1 | 0 | 0 | 0 | 111.5 | A334 S335 S340 L341 T344 Y346 E400 A404 | A334-L338 PolarHBondContact O-N 3.22Å; S335-L338 PolarHBondContact O-N 2.94Å; L338-S340 PolarHBondContact O-N 2.88Å; L338-S340 VanDerWaalsContact O-N 3.1Å; L338-L341 PolarHBondContact O-N 3Å; L338-T344 HydrophobicContact CD2-CG2 4.38Å; L338-Y346 HydrophobicContact CD1-CD1 4.24Å; L338-Y346 HydrophobicContact CD1-CD2 3.85Å; L338-Y346 HydrophobicContact CD1-CE1 4Å; L338-Y346 HydrophobicContact CD1-CE2 3.59Å; L338-Y346 HydrophobicContact CD1-CG 4.18Å; L338-Y346 HydrophobicContact CD2-CD2 3.58Å; L338-Y346 HydrophobicContact CD2-CE2 3.55Å; L338-Y346 HydrophobicContact CG-CD2 4.37Å; L338-Y346 HydrophobicContact CG-CE2 4.25Å; L338-E400 HydrophobicContact CD1-CG 4.28Å; L338-E400 HydrophobicContact CD2-CB 4.01Å; L338-E400 HydrophobicContact CD2-CG 3.79Å; L338-E400 HydrophobicContact CG-CB 3.8Å; L338-E400 HydrophobicContact CG-CG 3.75Å; L338-E400 WeakPolarHBondContact CG-O 3.45Å; L338-A404 HydrophobicContact CB-CB 4.11Å; L338-A404 HydrophobicContact CD1-CB 4.18Å |
| 339 | T | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 51 Ų | 51 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.6 | -31.1 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 112 | S335 A336 L341 G343 T344 | S335-T339 WeakPolarHBondContact O-CB 3.31Å; S335-T339 PolarHBondContact O-N 3.33Å; S335-T339 PolarHBondContact O-OG1 2.89Å; A336-T339 PolarHBondContact O-N 2.89Å; T339-L341 PolarHBondContact O-N 2.81Å; T339-L341 VanDerWaalsContact O-N 3.15Å; T339-G343 WeakPolarHBondContact O-CA 3.27Å; T339-G343 PolarHBondContact O-N 3.46Å; T339-T344 VanDerWaalsContact CA-O 3.28Å; T339-T344 WeakPolarHBondContact CA-O 3.46Å; T339-T344 WeakPolarHBondContact CB-O 3.46Å; T339-T344 PolarHBondContact OG1-O 3.4Å |
| 340 | S | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 45.1 Ų | 45.1 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.7 | -21.8 | -175.1 | 77.5 | 0 | 0 | 0 | 0 | 115 | A336 A337 L338 | A336-S340 PolarHBondContact O-N 2.98Å; A336-S340 VanDerWaalsContact O-N 3.13Å; A337-S340 WeakPolarHBondContact O-CB 3.47Å; A337-S340 PolarHBondContact O-N 2.93Å; A337-S340 PolarHBondContact O-OG 3.36Å; L338-S340 PolarHBondContact O-N 2.88Å; L338-S340 VanDerWaalsContact O-N 3.1Å |
| 341 | L | 98.5 | Very high | 98.6 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -87.6 | -51.9 | -174.8 | -171 | 61 | 0 | 0 | 0 | 113.2 | L338 T339 E399 E400 L403 | L338-L341 PolarHBondContact O-N 3Å; T339-L341 PolarHBondContact O-N 2.81Å; T339-L341 VanDerWaalsContact O-N 3.15Å; L341-E399 HydrophobicContact CD2-CB 3.7Å; L341-E400 HydrophobicContact CB-CB 4.45Å; L341-E400 HydrophobicContact CD2-CB 4.35Å; L341-L403 HydrophobicContact CB-CD1 3.76Å; L341-L403 HydrophobicContact CD2-CD1 4.19Å; L341-L403 HydrophobicContact CG-CD1 4.44Å |
| 342 | Y | 98.6 | Very high | 98.4 | Very high | 106 Ų | 106 | 45.4 Ų | 45.4 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -122.2 | 1.6 | -176.1 | -61.2 | -54.9 | 0 | 0 | 0 | 114.5 | T344 P396 E399 E400 | Y342-T344 PolarHBondContact O-N 3.26Å; Y342-P396 HydrophobicContact CD2-CB 4.04Å; Y342-P396 WeakPolarHBondContact CD2-O 3.43Å; Y342-P396 VanDerWaalsContact CE2-CA 3.49Å; Y342-P396 HydrophobicContact CE2-CB 3.84Å; Y342-P396 VanDerWaalsContact CE2-O 3.25Å; Y342-P396 WeakPolarHBondContact CE2-O 3.42Å; Y342-E399 HydrophobicContact CE2-CB 4.14Å; Y342-E399 PolarHBondContact OH-OE2 3.24Å; Y342-E400 HydrophobicContact CD2-CB 4.05Å |
| 343 | G | 98.5 | Very high | 98.3 | Very high | 46 Ų | 46 | 44 Ų | 44 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | trans | 76.4 | 5.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T339 R345 | T339-G343 WeakPolarHBondContact O-CA 3.27Å; T339-G343 PolarHBondContact O-N 3.46Å; G343-R345 PolarHBondContact O-N 3.23Å | ||
| 344 | T | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 126.9 | 176.9 | -45.8 | 0 | 0 | 0 | 0 | 110.3 | Q308 L338 T339 Y342 Y346 R380 E400 | Q308-T344 VanDerWaalsContact CD-CG2 3.42Å; Q308-T344 HydrophobicContact CG-CG2 4.24Å; L338-T344 HydrophobicContact CD2-CG2 4.38Å; T339-T344 VanDerWaalsContact CA-O 3.28Å; T339-T344 WeakPolarHBondContact CA-O 3.46Å; T339-T344 WeakPolarHBondContact CB-O 3.46Å; T339-T344 PolarHBondContact OG1-O 3.4Å; Y342-T344 PolarHBondContact O-N 3.26Å; T344-Y346 HydrophobicContact CG2-CD2 4.23Å; T344-Y346 HydrophobicContact CG2-CE2 3.83Å; T344-R380 HydrophobicContact CG2-CG 4.35Å; T344-R380 PolarHBondContact OG1-NH2 2.95Å; T344-E400 WeakPolarHBondContact CB-OE2 3.44Å; T344-E400 WeakPolarHBondContact CG2-OE1 3.46Å; T344-E400 PolarHBondContact OG1-OE1 2.98Å; T344-E400 PolarHBondContact OG1-OE2 2.9Å |
| 345 | R | 98.6 | Very high | 97.7 | Very high | 200 Ų | 200 | 46.7 Ų | 46.7 | 76% | 0.755 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -102.8 | 124.9 | -174.2 | -62.7 | -174.9 | 179.4 | -170.5 | -1.4 | 110.6 | Q308 G343 | Q308-R345 WeakPolarHBondContact CB-O 3.04Å; Q308-R345 PolarHBondContact NE2-O 3.41Å; G343-R345 PolarHBondContact O-N 3.23Å |
| 346 | Y | 98.7 | Very high | 97.3 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 8% | 0.078 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -104 | 141.5 | 172.5 | -82.5 | -127.1 | 0 | 0 | 0 | 110.1 | Q308 L309 L310 L338 T344 E378 L379 | Q308-Y346 VanDerWaalsContact C-CD1 3.46Å; Q308-Y346 HydrophobicContact CB-CD1 4.4Å; Q308-Y346 HydrophobicContact CB-CD2 3.73Å; Q308-Y346 HydrophobicContact CB-CE1 4.39Å; Q308-Y346 HydrophobicContact CB-CE2 3.72Å; Q308-Y346 HydrophobicContact CB-CG 4.08Å; Q308-Y346 HydrophobicContact CG-CD2 4.27Å; Q308-Y346 HydrophobicContact CG-CE2 3.81Å; Q308-Y346 CarbonylContact O-C 3.52Å; Q308-Y346 WeakPolarHBondContact O-CA 3.36Å; L309-Y346 WeakPolarHBondContact O-CD1 3.46Å; L310-Y346 HydrophobicContact CB-CD1 4.46Å; L338-Y346 HydrophobicContact CD1-CD1 4.24Å; L338-Y346 HydrophobicContact CD1-CD2 3.85Å; L338-Y346 HydrophobicContact CD1-CE1 4Å; L338-Y346 HydrophobicContact CD1-CE2 3.59Å; L338-Y346 HydrophobicContact CD1-CG 4.18Å; L338-Y346 HydrophobicContact CD2-CD2 3.58Å; L338-Y346 HydrophobicContact CD2-CE2 3.55Å; L338-Y346 HydrophobicContact CG-CD2 4.37Å; L338-Y346 HydrophobicContact CG-CE2 4.25Å; T344-Y346 HydrophobicContact CG2-CD2 4.23Å; T344-Y346 HydrophobicContact CG2-CE2 3.83Å; Y346-E378 WeakPolarHBondContact CE1-O 3.36Å; Y346-L379 WeakPolarHBondContact OH-CA 3.49Å |
| 347 | T | 98.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 52% | 0.521 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.7 | 168.4 | -53.7 | 0 | 0 | 0 | 0 | 108.9 | Q308 L309 L310 T354 | Q308-T347 PolarHBondContact O-N 2.84Å; L309-T347 CarbonylContact C-O 3.31Å; L309-T347 WeakPolarHBondContact CA-O 3.49Å; L310-T347 PolarHBondContact N-O 3.33Å; T347-T354 HydrophobicContact CG2-CG2 3.89Å |
| 348 | S | 98.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 45 Ų | 45 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140 | -178.5 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | L310 A331 S335 | L310-S348 VanDerWaalsContact O-CA 3.26Å; L310-S348 WeakPolarHBondContact O-CA 3.34Å; A331-S348 PolarHBondContact O-OG 3.16Å; S335-S348 PolarHBondContact OG-OG 2.84Å |
| 349 | G | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L310 L311 F312 T354 | L310-G349 PolarHBondContact O-N 3.1Å; L311-G349 WeakPolarHBondContact CA-O 3.49Å; F312-G349 WeakPolarHBondContact CD1-O 3.31Å; F312-G349 VanDerWaalsContact CE1-CA 3.44Å; F312-G349 WeakPolarHBondContact CE1-O 3.2Å; F312-G349 PolarHBondContact N-O 3.47Å; G349-T354 VanDerWaalsContact CA-OG1 3.24Å; G349-T354 WeakPolarHBondContact CA-OG1 3.34Å |
| 350 | P | 97.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 43 Ų | 43 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 136.1 | 175.2 | 28.8 | -33.6 | 0 | 0 | 0 | 109.9 | F312 A352 A353 T354 | F312-P350 HydrophobicContact CE2-CB 4.1Å; F312-P350 HydrophobicContact CZ-CB 4.39Å; F312-P350 CarbonylContact O-C 3.54Å; F312-P350 VanDerWaalsContact O-CA 3.24Å; F312-P350 WeakPolarHBondContact O-CA 3.38Å; P350-A352 PolarHBondContact O-N 3Å; P350-A353 HydrophobicContact CG-CB 4.12Å; P350-A353 PolarHBondContact O-N 2.95Å; P350-T354 WeakPolarHBondContact O-CB 3.22Å; P350-T354 PolarHBondContact O-N 2.82Å; P350-T354 PolarHBondContact O-OG1 3.41Å |
| 351 | S | 97.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51.2 | -53.2 | -171.7 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | L311 F312 A315 A353 T354 I355 | L311-S351 WeakPolarHBondContact CB-OG 3.46Å; F312-S351 PolarHBondContact O-N 2.71Å; F312-S351 PolarHBondContact O-OG 3.3Å; A315-S351 VanDerWaalsContact CB-CB 3.48Å; S351-A353 VanDerWaalsContact C-N 3.27Å; S351-A353 PolarHBondContact O-N 3.22Å; S351-A353 VanDerWaalsContact O-N 3.16Å; S351-T354 PolarHBondContact O-N 3.06Å; S351-T354 VanDerWaalsContact O-N 3.17Å; S351-I355 WeakPolarHBondContact O-CG2 3.32Å; S351-I355 PolarHBondContact O-N 3.45Å |
| 352 | A | 95.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.6 | -36.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y314 T317 F318 P350 Y356 P357 | Y314-A352 WeakPolarHBondContact O-CB 3Å; Y314-A352 PolarHBondContact O-N 3.03Å; T317-A352 WeakPolarHBondContact O-CB 3.35Å; F318-A352 HydrophobicContact CD1-CB 3.95Å; F318-A352 HydrophobicContact CE1-CB 4Å; F318-A352 WeakPolarHBondContact CE1-O 3.29Å; P350-A352 PolarHBondContact O-N 3Å; A352-Y356 CarbonylContact O-C 3.53Å; A352-P357 HydrophobicContact CB-CB 4.38Å |
| 353 | A | 95 | Very high | 96.9 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 62% | 0.62 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -90.8 | -21.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P350 S351 | P350-A353 HydrophobicContact CG-CB 4.12Å; P350-A353 PolarHBondContact O-N 2.95Å; S351-A353 VanDerWaalsContact C-N 3.27Å; S351-A353 PolarHBondContact O-N 3.22Å; S351-A353 VanDerWaalsContact O-N 3.16Å |
| 354 | T | 94.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -96.2 | -36.4 | -173 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | L311 T347 G349 P350 S351 | L311-T354 HydrophobicContact CD2-CG2 3.62Å; T347-T354 HydrophobicContact CG2-CG2 3.89Å; G349-T354 VanDerWaalsContact CA-OG1 3.24Å; G349-T354 WeakPolarHBondContact CA-OG1 3.34Å; P350-T354 WeakPolarHBondContact O-CB 3.22Å; P350-T354 PolarHBondContact O-N 2.82Å; P350-T354 PolarHBondContact O-OG1 3.41Å; S351-T354 PolarHBondContact O-N 3.06Å; S351-T354 VanDerWaalsContact O-N 3.17Å |
| 355 | I | 91.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 28.2 Ų | 28.2 | 18% | 0.179 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -73.6 | 177.2 | -155.6 | -174.5 | 0 | 0 | 0 | 110.4 | L309 L311 S351 | L309-I355 HydrophobicContact CD1-CB 4.05Å; L309-I355 HydrophobicContact CD1-CD1 3.83Å; L309-I355 HydrophobicContact CD1-CG1 3.8Å; L311-I355 HydrophobicContact CD1-CB 4.25Å; L311-I355 HydrophobicContact CD1-CG2 3.91Å; S351-I355 WeakPolarHBondContact O-CG2 3.32Å; S351-I355 PolarHBondContact O-N 3.45Å |
| 356 | Y | 90.8 | Very high | 96.9 | Very high | 25 Ų | 25 | 18.7 Ų | 18.7 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | trans | -176.3 | 158.9 | 176.6 | 42.2 | -104.4 | 0 | 0 | 0 | 108.9 | P54 D55 L59 A352 A358 | P54-Y356 HydrophobicContact CB-CD1 3.51Å; P54-Y356 HydrophobicContact CB-CE1 3.39Å; P54-Y356 HydrophobicContact CB-CG 4.27Å; D55-Y356 PolarHBondContact N-OH 2.85Å; D55-Y356 PolarHBondContact OD1-OH 2.84Å; D55-Y356 PolarHBondContact OD2-OH 3.29Å; L59-Y356 HydrophobicContact CD1-CD2 3.55Å; L59-Y356 HydrophobicContact CD1-CE2 3.68Å; L59-Y356 HydrophobicContact CD1-CG 4.06Å; L59-Y356 HydrophobicContact CD2-CD2 4.29Å; L59-Y356 HydrophobicContact CD2-CG 4.49Å; L59-Y356 HydrophobicContact CG-CD2 4.44Å; A352-Y356 CarbonylContact O-C 3.53Å; Y356-A358 HydrophobicContact CD2-CB 4.37Å; Y356-A358 HydrophobicContact CE2-CB 4.44Å | ||
| 357 | P | 93.8 | Very high | 96.9 | Very high | 25 Ų | 25 | 18.7 Ų | 18.7 | 16% | 0.162 | 12% | 0.119 | C | C | . | . | trans | -69.2 | 133 | 176.2 | 28.1 | -35 | 0 | 0 | 0 | 111.7 | L59 I261 G262 A315 F318 A352 | L59-P357 WeakPolarHBondContact CD2-O 3.48Å; I261-P357 HydrophobicContact CD1-CB 3.75Å; I261-P357 HydrophobicContact CD1-CG 3.77Å; I261-P357 HydrophobicContact CG1-CB 4.07Å; I261-P357 HydrophobicContact CG1-CG 4.16Å; I261-P357 HydrophobicContact CG2-CB 4.38Å; G262-P357 WeakPolarHBondContact CA-O 3.4Å; A315-P357 CarbonylContact O-C 3.6Å; A315-P357 VanDerWaalsContact O-CA 3.28Å; A315-P357 WeakPolarHBondContact O-CA 3.4Å; F318-P357 HydrophobicContact CZ-CB 4.35Å; F318-P357 HydrophobicContact CZ-CG 4.17Å; A352-P357 HydrophobicContact CB-CB 4.38Å | ||
| 358 | A | 95.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 18 Ų | 18 | 7% | 0.074 | 11% | 0.112 | C | C | . | . | trans | -149.1 | 128.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A315 Y316 Y356 | A315-A358 CarbonylContact C-O 3.58Å; A315-A358 WeakPolarHBondContact CB-O 3.42Å; A315-A358 PolarHBondContact O-N 3.35Å; Y316-A358 WeakPolarHBondContact CA-O 3.38Å; Y316-A358 PolarHBondContact N-O 3.43Å; Y316-A358 VanDerWaalsContact N-O 3.16Å; Y356-A358 HydrophobicContact CD2-CB 4.37Å; Y356-A358 HydrophobicContact CE2-CB 4.44Å | ||
| 359 | A | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -102.7 | 157 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R252 G257 I261 G361 | R252-A359 WeakPolarHBondContact CD-O 3.33Å; G257-A359 WeakPolarHBondContact O-CB 3.38Å; I261-A359 HydrophobicContact CG2-CB 4.06Å; I261-A359 VanDerWaalsContact O-CB 3.32Å; I261-A359 WeakPolarHBondContact O-CB 3.36Å; I261-A359 PolarHBondContact O-N 3.35Å; A359-G361 VanDerWaalsContact C-N 3.34Å |
| 360 | G | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 78.2 | 18.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N251 R252 N253 F254 A256 | N251-G360 CarbonylContact C-O 3.34Å; R252-G360 CarbonylContact C-O 3.54Å; R252-G360 VanDerWaalsContact C-O 3.29Å; R252-G360 WeakPolarHBondContact CA-O 3.29Å; N253-G360 PolarHBondContact N-O 2.93Å; F254-G360 WeakPolarHBondContact CB-O 3.2Å; F254-G360 PolarHBondContact N-O 3.28Å; F254-G360 VanDerWaalsContact O-CA 3.25Å; F254-G360 WeakPolarHBondContact O-CA 3.48Å; A256-G360 WeakPolarHBondContact O-CA 3.4Å; A256-G360 PolarHBondContact O-N 3.23Å |
| 361 | G | 98.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | trans | -70 | 147.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N251 A359 W365 | N251-G361 VanDerWaalsContact OD1-CA 3.29Å; N251-G361 WeakPolarHBondContact OD1-CA 3.46Å; A359-G361 VanDerWaalsContact C-N 3.34Å; G361-W365 WeakPolarHBondContact O-CB 3.43Å; G361-W365 PolarHBondContact O-N 3.34Å | ||
| 362 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.7 | -31.7 | 179.3 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | N251 Y300 W365 A366 | N251-S362 PolarHBondContact OD1-N 3.3Å; N251-S362 PolarHBondContact OD1-OG 2.93Å; Y300-S362 WeakPolarHBondContact OH-CB 3.37Å; Y300-S362 PolarHBondContact OH-OG 2.84Å; S362-W365 PolarHBondContact O-N 3.34Å; S362-A366 VanDerWaalsContact O-CB 3.32Å; S362-A366 WeakPolarHBondContact O-CB 3.03Å; S362-A366 PolarHBondContact O-N 3.12Å |
| 363 | D | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.9 | -48.5 | 179.1 | 57.4 | -16.2 | 0 | 0 | 0 | 112.3 | Y300 T302 W365 A366 Y367 S374 T376 | Y300-D363 HydrophobicContact CD1-CB 4.45Å; Y300-D363 HydrophobicContact CE1-CB 4.32Å; T302-D363 HydrophobicContact CG2-CB 4.32Å; D363-W365 VanDerWaalsContact C-N 3.34Å; D363-A366 PolarHBondContact O-N 3.42Å; D363-Y367 WeakPolarHBondContact O-CB 3.34Å; D363-Y367 PolarHBondContact O-N 2.75Å; D363-S374 VanDerWaalsContact CA-OG 3.3Å; D363-S374 WeakPolarHBondContact CA-OG 3.43Å; D363-S374 PolarHBondContact O-OG 3.43Å; D363-T376 WeakPolarHBondContact CB-OG1 3.24Å; D363-T376 VanDerWaalsContact CG-OG1 3.26Å; D363-T376 PolarHBondContact OD2-OG1 3.07Å |
| 364 | D | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 172.7 | -82 | -5.3 | 0 | 0 | 0 | 110.9 | A256 P313 Y314 A315 Y316 A366 Y367 D368 | A256-D364 HydrophobicContact CB-CB 3.87Å; P313-D364 WeakPolarHBondContact CA-OD1 3.4Å; P313-D364 VanDerWaalsContact CB-OD1 3.27Å; P313-D364 WeakPolarHBondContact CB-OD1 3.29Å; Y314-D364 VanDerWaalsContact CA-OD1 3.28Å; Y314-D364 WeakPolarHBondContact CA-OD1 3.25Å; Y314-D364 HydrophobicContact CD1-CB 4.36Å; A315-D364 WeakPolarHBondContact CA-OD2 3.43Å; A315-D364 VanDerWaalsContact CB-OD2 3.3Å; A315-D364 WeakPolarHBondContact CB-OD2 3.29Å; A315-D364 VanDerWaalsContact N-CG 3.31Å; A315-D364 PolarHBondContact N-OD1 3.35Å; A315-D364 PolarHBondContact N-OD2 2.89Å; Y316-D364 HydrophobicContact CD1-CB 3.73Å; Y316-D364 WeakPolarHBondContact CD1-OD2 3.07Å; Y316-D364 HydrophobicContact CE1-CB 3.91Å; Y316-D364 PolarHBondContact N-OD2 3.36Å; D364-A366 PolarHBondContact O-N 3.35Å; D364-Y367 PolarHBondContact O-N 2.82Å; D364-D368 WeakPolarHBondContact O-CB 3.37Å; D364-D368 PolarHBondContact O-N 2.81Å |
| 365 | W | 98.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 15.4 Ų | 15.4 | 5% | 0.049 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 177.6 | 171.2 | 86.9 | 0 | 0 | 0 | 112.6 | F254 A256 A287 I290 R291 G361 S362 D363 Y367 L369 | F254-W365 HydrophobicContact CB-CB 3.76Å; F254-W365 HydrophobicContact CB-CG 3.97Å; F254-W365 HydrophobicContact CD1-CB 4.27Å; F254-W365 AromaticContact CD1-CD2 3.74Å; F254-W365 HydrophobicContact CD1-CD2 3.74Å; F254-W365 AromaticContact CD1-CE3 3.87Å; F254-W365 HydrophobicContact CD1-CE3 3.87Å; F254-W365 AromaticContact CD1-CG 3.91Å; F254-W365 HydrophobicContact CD1-CG 3.91Å; F254-W365 HydrophobicContact CE1-CD2 4.45Å; F254-W365 HydrophobicContact CE1-CE3 4.19Å; F254-W365 HydrophobicContact CG-CB 4.36Å; F254-W365 HydrophobicContact CG-CG 4.39Å; A256-W365 HydrophobicContact CB-CB 3.89Å; A287-W365 VanDerWaalsContact CA-CH2 3.47Å; A287-W365 HydrophobicContact CB-CH2 3.89Å; A287-W365 HydrophobicContact CB-CZ2 3.65Å; I290-W365 HydrophobicContact CB-CH2 3.81Å; I290-W365 HydrophobicContact CB-CZ3 3.99Å; I290-W365 HydrophobicContact CD1-CH2 4.44Å; I290-W365 HydrophobicContact CD1-CZ3 3.81Å; I290-W365 HydrophobicContact CG2-CH2 3.84Å; I290-W365 HydrophobicContact CG2-CZ3 3.84Å; R291-W365 HydrophobicContact CG-CZ2 4.15Å; G361-W365 WeakPolarHBondContact O-CB 3.43Å; G361-W365 PolarHBondContact O-N 3.34Å; S362-W365 PolarHBondContact O-N 3.34Å; D363-W365 VanDerWaalsContact C-N 3.34Å; W365-Y367 VanDerWaalsContact C-N 3.32Å; W365-Y367 PolarHBondContact O-N 3.36Å; W365-L369 HydrophobicContact CH2-CD2 3.73Å; W365-L369 HydrophobicContact CZ2-CD2 3.91Å; W365-L369 HydrophobicContact CZ3-CD2 4.31Å; W365-L369 VanDerWaalsContact O-CB 3.24Å; W365-L369 WeakPolarHBondContact O-CB 3.42Å; W365-L369 PolarHBondContact O-N 3.42Å |
| 366 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y300 S362 D363 D364 L369 G370 V371 | Y300-A366 HydrophobicContact CD1-CB 3.72Å; Y300-A366 HydrophobicContact CD2-CB 4.27Å; Y300-A366 HydrophobicContact CE1-CB 4.38Å; Y300-A366 HydrophobicContact CG-CB 3.66Å; S362-A366 VanDerWaalsContact O-CB 3.32Å; S362-A366 WeakPolarHBondContact O-CB 3.03Å; S362-A366 PolarHBondContact O-N 3.12Å; D363-A366 PolarHBondContact O-N 3.42Å; D364-A366 PolarHBondContact O-N 3.35Å; A366-L369 WeakPolarHBondContact O-CB 3.49Å; A366-L369 PolarHBondContact O-N 3.04Å; A366-G370 PolarHBondContact O-N 3.39Å; A366-V371 HydrophobicContact CB-CB 4.34Å; A366-V371 VanDerWaalsContact O-CB 3.3Å; A366-V371 WeakPolarHBondContact O-CB 3.44Å; A366-V371 PolarHBondContact O-N 2.99Å |
| 367 | Y | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 12.7 Ų | 12.7 | 8% | 0.075 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.9 | -44.8 | 177 | -173.3 | -99.8 | 0 | 0 | 0 | 112.7 | P313 Y314 A321 A322 D323 L327 D363 D364 W365 L369 G370 V371 K372 | P313-Y367 HydrophobicContact CB-CD1 4.06Å; P313-Y367 HydrophobicContact CB-CG 4.08Å; P313-Y367 HydrophobicContact CG-CD1 4.43Å; P313-Y367 HydrophobicContact CG-CG 3.95Å; Y314-Y367 AromaticContact CE1-CD1 3.96Å; Y314-Y367 HydrophobicContact CE1-CD1 3.96Å; Y314-Y367 HydrophobicContact CE2-CD1 4.36Å; Y314-Y367 HydrophobicContact CE2-CE1 4.18Å; Y314-Y367 AromaticContact CZ-CD1 3.66Å; Y314-Y367 AromaticContact CZ-CE1 3.84Å; Y314-Y367 WeakPolarHBondContact OH-CD1 3.24Å; Y314-Y367 WeakPolarHBondContact OH-CE1 3.44Å; A321-Y367 HydrophobicContact CB-CE1 3.7Å; A322-Y367 PolarHBondContact N-OH 3.01Å; D323-Y367 PolarHBondContact N-OH 3.3Å; D323-Y367 VanDerWaalsContact N-OH 3.16Å; D323-Y367 PolarHBondContact OD2-OH 2.96Å; L327-Y367 HydrophobicContact CD1-CE2 4.07Å; D363-Y367 WeakPolarHBondContact O-CB 3.34Å; D363-Y367 PolarHBondContact O-N 2.75Å; D364-Y367 PolarHBondContact O-N 2.82Å; W365-Y367 VanDerWaalsContact C-N 3.32Å; W365-Y367 PolarHBondContact O-N 3.36Å; Y367-L369 PolarHBondContact O-N 3.25Å; Y367-G370 WeakPolarHBondContact O-CA 3.28Å; Y367-G370 PolarHBondContact O-N 2.76Å; Y367-V371 WeakPolarHBondContact CA-O 3.28Å; Y367-K372 VanDerWaalsContact CD2-O 3.26Å; Y367-K372 WeakPolarHBondContact CD2-O 3.25Å; Y367-K372 VanDerWaalsContact CE2-O 3.28Å; Y367-K372 WeakPolarHBondContact CE2-O 3.46Å |
| 368 | D | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 12.6 Ų | 12.6 | 39% | 0.385 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -63.3 | -29.8 | 173.8 | -78.9 | -15.7 | 0 | 0 | 0 | 111.9 | Y314 Y316 D364 G370 | Y314-D368 WeakPolarHBondContact CE1-OD1 3.38Å; Y314-D368 VanDerWaalsContact CZ-OD1 3.31Å; Y314-D368 PolarHBondContact OH-OD1 2.69Å; Y316-D368 VanDerWaalsContact CE1-OD2 3.29Å; Y316-D368 WeakPolarHBondContact CE1-OD2 3.44Å; Y316-D368 PolarHBondContact OH-OD1 3.04Å; Y316-D368 PolarHBondContact OH-OD2 3.45Å; D364-D368 WeakPolarHBondContact O-CB 3.37Å; D364-D368 PolarHBondContact O-N 2.81Å; D368-G370 PolarHBondContact O-N 2.97Å |
| 369 | L | 98.1 | Very high | 98.6 | Very high | 35 Ų | 35 | 12.2 Ų | 12.2 | 18% | 0.183 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -14.9 | 170 | -171.6 | 65.2 | 0 | 0 | 0 | 112 | I290 R291 K294 W365 A366 Y367 | I290-L369 HydrophobicContact CG2-CD2 3.86Å; R291-L369 HydrophobicContact CG-CD1 4.37Å; R291-L369 HydrophobicContact CG-CD2 4.04Å; K294-L369 HydrophobicContact CD-CD1 3.97Å; K294-L369 HydrophobicContact CD-CD2 4.44Å; K294-L369 HydrophobicContact CD-CG 3.86Å; K294-L369 WeakPolarHBondContact CE-O 3.21Å; K294-L369 HydrophobicContact CG-CG 4.36Å; K294-L369 PolarHBondContact NZ-O 2.78Å; W365-L369 HydrophobicContact CH2-CD2 3.73Å; W365-L369 HydrophobicContact CZ2-CD2 3.91Å; W365-L369 HydrophobicContact CZ3-CD2 4.31Å; W365-L369 VanDerWaalsContact O-CB 3.24Å; W365-L369 WeakPolarHBondContact O-CB 3.42Å; W365-L369 PolarHBondContact O-N 3.42Å; A366-L369 WeakPolarHBondContact O-CB 3.49Å; A366-L369 PolarHBondContact O-N 3.04Å; Y367-L369 PolarHBondContact O-N 3.25Å |
| 370 | G | 98 | Very high | 98.7 | Very high | 38 Ų | 38 | 13.5 Ų | 13.5 | 39% | 0.392 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | 15 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A366 Y367 D368 K372 Y417 | A366-G370 PolarHBondContact O-N 3.39Å; Y367-G370 WeakPolarHBondContact O-CA 3.28Å; Y367-G370 PolarHBondContact O-N 2.76Å; D368-G370 PolarHBondContact O-N 2.97Å; G370-K372 PolarHBondContact O-N 3.08Å; G370-Y417 PolarHBondContact O-OH 3.26Å |
| 371 | V | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -81.5 | 95.9 | 166.8 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | I297 A366 Y367 Y373 Y417 | I297-V371 HydrophobicContact CG2-CG1 4Å; I297-V371 HydrophobicContact CG2-CG2 4.06Å; A366-V371 HydrophobicContact CB-CB 4.34Å; A366-V371 VanDerWaalsContact O-CB 3.3Å; A366-V371 WeakPolarHBondContact O-CB 3.44Å; A366-V371 PolarHBondContact O-N 2.99Å; Y367-V371 WeakPolarHBondContact CA-O 3.28Å; V371-Y373 PolarHBondContact O-N 3.29Å; V371-Y417 WeakPolarHBondContact CA-OH 3.37Å | ||
| 372 | K | 98.4 | Very high | 98.6 | Very high | 40 Ų | 40 | 17.3 Ų | 17.3 | 17% | 0.174 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -57.6 | -48.5 | -170 | 170.8 | 171.1 | 168.5 | 149 | 0 | 112.6 | D323 E326 L327 Y367 G370 S374 Y417 | D323-K372 HydrophobicContact CB-CG 4.42Å; D323-K372 VanDerWaalsContact OD1-CE 3.24Å; D323-K372 WeakPolarHBondContact OD1-CE 3.32Å; D323-K372 IonicContact OD1-NZ 2.94Å; D323-K372 PolarHBondContact OD1-NZ 2.86Å; E326-K372 WeakPolarHBondContact OE2-CE 3.23Å; E326-K372 IonicContact OE2-NZ 3.04Å; E326-K372 PolarHBondContact OE2-NZ 3.45Å; L327-K372 WeakPolarHBondContact CD2-O 3.5Å; Y367-K372 VanDerWaalsContact CD2-O 3.26Å; Y367-K372 WeakPolarHBondContact CD2-O 3.25Å; Y367-K372 VanDerWaalsContact CE2-O 3.28Å; Y367-K372 WeakPolarHBondContact CE2-O 3.46Å; G370-K372 PolarHBondContact O-N 3.08Å; K372-S374 PolarHBondContact O-N 3.1Å; K372-S374 VanDerWaalsContact O-N 3.17Å; K372-Y417 HydrophobicContact CB-CE1 3.76Å; K372-Y417 PolarHBondContact N-OH 3.3Å |
| 373 | Y | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 78.8 | -176.3 | -57.1 | -70.7 | 0 | 0 | 0 | 110.2 | K298 A299 Y300 E326 L327 V371 H411 V412 N415 Y417 | K298-Y373 WeakPolarHBondContact O-CD2 3.15Å; A299-Y373 CarbonylContact C-O 3.6Å; A299-Y373 WeakPolarHBondContact CA-O 3.47Å; A299-Y373 WeakPolarHBondContact CB-O 3.4Å; Y300-Y373 PolarHBondContact N-O 3.23Å; E326-Y373 PolarHBondContact OE1-OH 3.45Å; E326-Y373 VanDerWaalsContact OE1-OH 3.1Å; L327-Y373 HydrophobicContact CD2-CD1 4.25Å; V371-Y373 PolarHBondContact O-N 3.29Å; Y373-H411 AromaticContact CE1-CD2 3.56Å; Y373-H411 AromaticContact CE1-NE2 3.72Å; Y373-H411 AromaticContact CZ-CD2 3.85Å; Y373-V412 HydrophobicContact CD1-CG2 4.5Å; Y373-V412 HydrophobicContact CD2-CB 4.25Å; Y373-V412 HydrophobicContact CD2-CG1 4.06Å; Y373-V412 HydrophobicContact CD2-CG2 3.62Å; Y373-V412 HydrophobicContact CE2-CB 4.47Å; Y373-V412 HydrophobicContact CE2-CG1 4.35Å; Y373-V412 HydrophobicContact CE2-CG2 4.2Å; Y373-V412 HydrophobicContact CG-CG2 3.78Å; Y373-N415 WeakPolarHBondContact OH-CB 3.39Å; Y373-N415 PolarHBondContact OH-O 3.07Å; Y373-Y417 HydrophobicContact CD2-CE1 4.43Å; Y373-Y417 HydrophobicContact CE2-CD1 4.47Å; Y373-Y417 HydrophobicContact CE2-CE1 4.31Å |
| 374 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.7 | 178.4 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | Y300 P313 D363 K372 | Y300-S374 CarbonylContact O-C 3.59Å; Y300-S374 WeakPolarHBondContact O-CA 3.48Å; P313-S374 WeakPolarHBondContact CD-O 3.21Å; D363-S374 VanDerWaalsContact CA-OG 3.3Å; D363-S374 WeakPolarHBondContact CA-OG 3.43Å; D363-S374 PolarHBondContact O-OG 3.43Å; K372-S374 PolarHBondContact O-N 3.1Å; K372-S374 VanDerWaalsContact O-N 3.17Å |
| 375 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.9 | -177.9 | -63.5 | -79.7 | 0 | 0 | 0 | 112.3 | Y300 L301 T302 L310 L311 F312 L327 V330 A331 I408 | Y300-Y375 PolarHBondContact O-N 3.46Å; L301-Y375 WeakPolarHBondContact CA-O 3.21Å; L301-Y375 HydrophobicContact CD2-CD2 3.89Å; L301-Y375 HydrophobicContact CD2-CG 4.44Å; T302-Y375 PolarHBondContact N-O 2.99Å; L310-Y375 HydrophobicContact CD1-CD1 4.2Å; L310-Y375 HydrophobicContact CD1-CG 4.38Å; L311-Y375 VanDerWaalsContact O-CA 3.29Å; L311-Y375 WeakPolarHBondContact O-CA 3.22Å; F312-Y375 HydrophobicContact CB-CD1 3.79Å; F312-Y375 HydrophobicContact CB-CE1 3.9Å; F312-Y375 HydrophobicContact CD1-CE1 4.38Å; F312-Y375 HydrophobicContact CG-CE1 4.42Å; L327-Y375 WeakPolarHBondContact CA-OH 3.48Å; L327-Y375 HydrophobicContact CB-CE1 4.43Å; L327-Y375 HydrophobicContact CD2-CE1 4.34Å; L327-Y375 HydrophobicContact CD2-CE2 4.38Å; L327-Y375 WeakPolarHBondContact CD2-OH 3.27Å; L327-Y375 PolarHBondContact O-OH 2.93Å; V330-Y375 VanDerWaalsContact CB-OH 3.27Å; V330-Y375 WeakPolarHBondContact CB-OH 3.35Å; V330-Y375 HydrophobicContact CG1-CE2 4.28Å; V330-Y375 WeakPolarHBondContact CG1-OH 3.48Å; A331-Y375 HydrophobicContact CB-CD1 4.46Å; A331-Y375 HydrophobicContact CB-CE1 4Å; Y375-I408 HydrophobicContact CD2-CD1 4.02Å; Y375-I408 HydrophobicContact CD2-CG2 4.09Å; Y375-I408 HydrophobicContact CE2-CD1 4.37Å; Y375-I408 HydrophobicContact CE2-CG2 3.95Å; Y375-I408 HydrophobicContact CG-CD1 4.25Å |
| 376 | T | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124 | 171.9 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | T302 L311 D363 | T302-T376 HydrophobicContact CG2-CG2 4.11Å; T302-T376 WeakPolarHBondContact CG2-OG1 3.37Å; T302-T376 WeakPolarHBondContact O-CA 3.29Å; L311-T376 PolarHBondContact N-O 2.87Å; L311-T376 PolarHBondContact O-N 3.33Å; D363-T376 WeakPolarHBondContact CB-OG1 3.24Å; D363-T376 VanDerWaalsContact CG-OG1 3.26Å; D363-T376 PolarHBondContact OD2-OG1 3.07Å |
| 377 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.9 | 172.9 | -77 | -99 | 0 | 0 | 0 | 109.7 | L301 T302 I303 H304 L310 L379 T401 A404 V405 I408 | L301-F377 HydrophobicContact CD2-CE2 4.44Å; T302-F377 PolarHBondContact O-N 3.11Å; I303-F377 HydrophobicContact CD1-CB 3.83Å; I303-F377 HydrophobicContact CD1-CD2 3.52Å; I303-F377 HydrophobicContact CD1-CE2 4.31Å; I303-F377 HydrophobicContact CD1-CG 3.86Å; I303-F377 HydrophobicContact CG2-CB 4.47Å; H304-F377 CarbonylContact C-O 3.59Å; H304-F377 VanDerWaalsContact CA-O 3.31Å; H304-F377 WeakPolarHBondContact CA-O 3.27Å; H304-F377 WeakPolarHBondContact CB-O 3.43Å; H304-F377 PolarHBondContact N-O 2.78Å; L310-F377 HydrophobicContact CD1-CD1 3.89Å; L310-F377 HydrophobicContact CD1-CD2 3.82Å; L310-F377 HydrophobicContact CD1-CE1 3.69Å; L310-F377 HydrophobicContact CD1-CE2 3.63Å; L310-F377 HydrophobicContact CD1-CG 3.95Å; L310-F377 HydrophobicContact CD1-CZ 3.57Å; L310-F377 HydrophobicContact CD2-CE1 4.13Å; L310-F377 HydrophobicContact CD2-CZ 4.2Å; L310-F377 HydrophobicContact CG-CE1 4.43Å; F377-L379 HydrophobicContact CB-CD2 4.04Å; F377-L379 HydrophobicContact CD1-CD2 4.4Å; F377-T401 HydrophobicContact CD1-CG2 4.33Å; F377-T401 HydrophobicContact CE1-CG2 4.48Å; F377-A404 HydrophobicContact CE1-CB 3.73Å; F377-A404 HydrophobicContact CZ-CB 4.08Å; F377-V405 HydrophobicContact CE2-CG2 4.38Å; F377-V405 HydrophobicContact CZ-CG2 4.14Å; F377-I408 HydrophobicContact CE2-CD1 3.87Å; F377-I408 HydrophobicContact CZ-CD1 3.59Å |
| 378 | E | 98.9 | Very high | 97.8 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 105.3 | 162.8 | -66.4 | -66.9 | 170.8 | 0 | 0 | 108 | H304 S305 Q308 L309 L311 Y346 | H304-E378 WeakPolarHBondContact CB-OE2 3.24Å; S305-E378 VanDerWaalsContact CA-OE2 3.25Å; S305-E378 WeakPolarHBondContact CA-OE2 3.4Å; S305-E378 PolarHBondContact N-OE2 2.69Å; Q308-E378 CarbonylContact C-O 3.48Å; Q308-E378 WeakPolarHBondContact CA-O 3.43Å; Q308-E378 PolarHBondContact N-O 2.6Å; L309-E378 HydrophobicContact CB-CB 3.87Å; L309-E378 HydrophobicContact CB-CG 4.12Å; L309-E378 HydrophobicContact CD1-CB 4.5Å; L309-E378 HydrophobicContact CD1-CG 4.26Å; L309-E378 HydrophobicContact CG-CB 4.24Å; L309-E378 HydrophobicContact CG-CG 4.48Å; L309-E378 PolarHBondContact N-O 2.64Å; L309-E378 PolarHBondContact O-N 3.09Å; L311-E378 HydrophobicContact CD1-CG 4.45Å; Y346-E378 WeakPolarHBondContact CE1-O 3.36Å |
| 379 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -170.3 | -173.6 | -60.7 | -172.2 | 0 | 0 | 0 | 112.8 | I181 F185 I303 H304 Y306 S307 Q308 Y346 F377 T397 T401 | I181-L379 HydrophobicContact CG1-CD1 4.2Å; I181-L379 HydrophobicContact CG2-CB 4.17Å; I181-L379 HydrophobicContact CG2-CD1 4.39Å; F185-L379 HydrophobicContact CB-CD1 4Å; F185-L379 HydrophobicContact CG-CD1 4.4Å; I303-L379 HydrophobicContact CG2-CD1 3.59Å; I303-L379 HydrophobicContact CG2-CD2 4.3Å; I303-L379 HydrophobicContact CG2-CG 3.87Å; H304-L379 WeakPolarHBondContact O-CB 3.33Å; H304-L379 VanDerWaalsContact O-CG 3.31Å; H304-L379 WeakPolarHBondContact O-CG 3.45Å; H304-L379 PolarHBondContact O-N 3.45Å; Y306-L379 WeakPolarHBondContact CA-O 3.26Å; S307-L379 PolarHBondContact N-O 3.44Å; S307-L379 VanDerWaalsContact N-O 3.08Å; Q308-L379 PolarHBondContact N-O 3.07Å; Q308-L379 VanDerWaalsContact N-O 3.12Å; Y346-L379 WeakPolarHBondContact OH-CA 3.49Å; F377-L379 HydrophobicContact CB-CD2 4.04Å; F377-L379 HydrophobicContact CD1-CD2 4.4Å; L379-T397 HydrophobicContact CB-CG2 4.18Å; L379-T397 HydrophobicContact CD1-CG2 4.26Å; L379-T401 HydrophobicContact CD2-CG2 3.67Å |
| 380 | R | 98.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 10% | 0.102 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -58.6 | 153.1 | 176 | -69.2 | -161.5 | -168.3 | -176 | 1.2 | 112 | Q308 T344 L389 T397 E400 | Q308-R380 HydrophobicContact CG-CG 4.37Å; T344-R380 HydrophobicContact CG2-CG 4.35Å; T344-R380 PolarHBondContact OG1-NH2 2.95Å; R380-L389 HydrophobicContact CB-CD1 4.21Å; R380-L389 HydrophobicContact CB-CD2 3.95Å; R380-T397 HydrophobicContact CB-CG2 4.13Å; R380-T397 WeakPolarHBondContact CD-OG1 3.17Å; R380-T397 HydrophobicContact CG-CG2 4.05Å; R380-E400 IonicContact CZ-OE1 3.76Å; R380-E400 IonicContact CZ-OE2 3.32Å; R380-E400 IonicContact NE-OE1 3.87Å; R380-E400 PolarHBondContact NE-OE1 3.14Å; R380-E400 IonicContact NE-OE2 2.66Å; R380-E400 VanDerWaalsContact NH2-CD 3.3Å; R380-E400 IonicContact NH2-OE1 3.49Å; R380-E400 PolarHBondContact NH2-OE1 3.19Å; R380-E400 IonicContact NH2-OE2 2.62Å; R380-E400 PolarHBondContact NH2-OE2 3.06Å |
| 381 | D | 98.3 | Very high | 97.7 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 8% | 0.08 | 10% | 0.096 | C | C | . | . | cis | -107.6 | -149.1 | -4.8 | 64.4 | 11.9 | 0 | 0 | 0 | 111.4 | S307 G383 Y384 Y385 G386 L389 | S307-D381 CarbonylContact C-O 3.46Å; S307-D381 WeakPolarHBondContact CA-O 3.47Å; S307-D381 PolarHBondContact N-O 2.83Å; D381-G383 WeakPolarHBondContact OD1-CA 3.39Å; D381-G383 PolarHBondContact OD1-N 3.45Å; D381-Y384 PolarHBondContact OD1-N 2.84Å; D381-Y384 PolarHBondContact OD2-N 2.87Å; D381-Y385 WeakPolarHBondContact OD2-CB 3.48Å; D381-Y385 VanDerWaalsContact OD2-CD2 3.27Å; D381-Y385 WeakPolarHBondContact OD2-CD2 3.49Å; D381-Y385 PolarHBondContact OD2-N 3.09Å; D381-G386 WeakPolarHBondContact OD1-CA 3.49Å; D381-G386 PolarHBondContact OD1-N 3.39Å; D381-L389 HydrophobicContact CB-CD1 4.07Å | ||
| 382 | T | 96.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 24.2 Ų | 24.2 | 43% | 0.429 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -104.5 | 23.4 | 175.9 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | R28 Q308 | R28-T382 PolarHBondContact NH1-O 3.14Å; R28-T382 PolarHBondContact NH2-O 3.04Å; Q308-T382 HydrophobicContact CB-CG2 4.34Å; Q308-T382 HydrophobicContact CG-CG2 4.12Å |
| 383 | G | 93.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 105.3 | 5.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L92 D381 | L92-G383 WeakPolarHBondContact CD1-O 3.44Å; D381-G383 WeakPolarHBondContact OD1-CA 3.39Å; D381-G383 PolarHBondContact OD1-N 3.45Å |
| 384 | Y | 93.7 | Very high | 97.6 | Very high | 152 Ų | 152 | 24.9 Ų | 24.9 | 60% | 0.596 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -68 | -48.2 | 174.7 | 179.6 | -91.9 | 0 | 0 | 0 | 110.5 | D381 | D381-Y384 PolarHBondContact OD1-N 2.84Å; D381-Y384 PolarHBondContact OD2-N 2.87Å |
| 385 | Y | 95.7 | Very high | 97.6 | Very high | 83 Ų | 83 | 29.6 Ų | 29.6 | 33% | 0.325 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -100.9 | -28.9 | 167.2 | -59.5 | -71.5 | 0 | 0 | 0 | 112 | D381 F387 L388 L389 P390 | D381-Y385 WeakPolarHBondContact OD2-CB 3.48Å; D381-Y385 VanDerWaalsContact OD2-CD2 3.27Å; D381-Y385 WeakPolarHBondContact OD2-CD2 3.49Å; D381-Y385 PolarHBondContact OD2-N 3.09Å; Y385-F387 PolarHBondContact O-N 3.16Å; Y385-L388 WeakPolarHBondContact O-CB 3.49Å; Y385-L388 PolarHBondContact O-N 2.88Å; Y385-L389 HydrophobicContact CD2-CD1 4.04Å; Y385-P390 HydrophobicContact CD1-CG 4.49Å; Y385-P390 HydrophobicContact CD2-CG 4.3Å; Y385-P390 HydrophobicContact CE1-CG 4.16Å; Y385-P390 HydrophobicContact CE2-CG 3.96Å |
| 386 | G | 96.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | 55.1 | -122.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y306 D381 L388 | Y306-G386 VanDerWaalsContact CD1-CA 3.43Å; D381-G386 WeakPolarHBondContact OD1-CA 3.49Å; D381-G386 PolarHBondContact OD1-N 3.39Å; G386-L388 PolarHBondContact O-N 3.05Å |
| 387 | F | 97.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -70.2 | -11.7 | 178.8 | -51 | -58.9 | 0 | 0 | 0 | 114 | W52 Q103 R178 E179 R231 M232 S305 Y306 Y385 | W52-F387 HydrophobicContact CB-CE2 3.75Å; W52-F387 HydrophobicContact CB-CZ 4.34Å; W52-F387 AromaticContact CD1-CE2 3.71Å; W52-F387 AromaticContact CD2-CD2 3.55Å; W52-F387 HydrophobicContact CD2-CD2 3.55Å; W52-F387 AromaticContact CD2-CE2 3.53Å; W52-F387 HydrophobicContact CD2-CE2 3.53Å; W52-F387 AromaticContact CE2-CD2 3.59Å; W52-F387 AromaticContact CE2-CE2 3.9Å; W52-F387 AromaticContact CE3-CD2 3.87Å; W52-F387 HydrophobicContact CE3-CD2 3.87Å; W52-F387 HydrophobicContact CE3-CE2 4.06Å; W52-F387 AromaticContact CG-CD2 3.94Å; W52-F387 HydrophobicContact CG-CD2 3.94Å; W52-F387 AromaticContact CG-CE2 3.4Å; W52-F387 HydrophobicContact CG-CE2 3.4Å; W52-F387 VanDerWaalsContact CG-CE2 3.4Å; W52-F387 HydrophobicContact CG-CZ 4.43Å; W52-F387 HydrophobicContact CH2-CD2 4.19Å; W52-F387 AromaticContact CZ2-CD2 3.93Å; W52-F387 HydrophobicContact CZ2-CD2 3.93Å; W52-F387 HydrophobicContact CZ3-CD2 4.19Å; W52-F387 AromaticContact NE1-CD2 3.98Å; W52-F387 AromaticContact NE1-CE2 3.98Å; Q103-F387 PolarHBondContact NE2-O 2.96Å; R178-F387 HydrophobicContact CG-CB 4.46Å; R178-F387 HydrophobicContact CG-CD1 4.08Å; R178-F387 HydrophobicContact CG-CD2 4.19Å; R178-F387 HydrophobicContact CG-CE1 4.38Å; R178-F387 HydrophobicContact CG-CE2 4.49Å; R178-F387 HydrophobicContact CG-CG 3.99Å; R178-F387 VanDerWaalsContact CZ-CE2 3.43Å; E179-F387 HydrophobicContact CG-CD1 3.96Å; E179-F387 HydrophobicContact CG-CE1 4.01Å; R231-F387 PolarHBondContact NH2-O 3.38Å; M232-F387 HydrophobicContact SD-CD2 4.39Å; S305-F387 VanDerWaalsContact O-CE1 3.23Å; S305-F387 WeakPolarHBondContact O-CE1 3.4Å; Y306-F387 AromaticContact CD1-CD1 3.71Å; Y306-F387 HydrophobicContact CD1-CD1 3.71Å; Y306-F387 AromaticContact CD1-CE1 3.52Å; Y306-F387 HydrophobicContact CD1-CE1 3.52Å; Y306-F387 HydrophobicContact CD1-CE2 4.36Å; Y306-F387 HydrophobicContact CD1-CG 4.22Å; Y306-F387 AromaticContact CD1-CZ 3.85Å; Y306-F387 HydrophobicContact CD1-CZ 3.85Å; Y306-F387 HydrophobicContact CE1-CD1 4.18Å; Y306-F387 HydrophobicContact CE1-CD2 4.24Å; Y306-F387 AromaticContact CE1-CE1 3.81Å; Y306-F387 HydrophobicContact CE1-CE1 3.81Å; Y306-F387 AromaticContact CE1-CE2 3.86Å; Y306-F387 HydrophobicContact CE1-CE2 3.86Å; Y306-F387 HydrophobicContact CE1-CG 4.37Å; Y306-F387 AromaticContact CE1-CZ 3.62Å; Y306-F387 HydrophobicContact CE1-CZ 3.62Å; Y385-F387 PolarHBondContact O-N 3.16Å |
| 388 | L | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -96.7 | 25.2 | -179.1 | -60.4 | -176 | 0 | 0 | 0 | 113.5 | W52 I93 F96 A99 V100 Q103 R231 M232 Y385 G386 | W52-L388 HydrophobicContact CH2-CG 4.32Å; I93-L388 HydrophobicContact CD1-CD1 4.4Å; F96-L388 HydrophobicContact CD2-CD1 3.82Å; F96-L388 HydrophobicContact CE2-CD1 3.23Å; F96-L388 HydrophobicContact CE2-CG 4.09Å; F96-L388 HydrophobicContact CZ-CD1 3.78Å; F96-L388 HydrophobicContact CZ-CG 4.41Å; A99-L388 HydrophobicContact CB-CD1 3.68Å; V100-L388 HydrophobicContact CG2-CD1 3.74Å; V100-L388 HydrophobicContact CG2-CD2 3.9Å; V100-L388 HydrophobicContact CG2-CG 4.5Å; Q103-L388 VanDerWaalsContact NE2-C 3.25Å; Q103-L388 VanDerWaalsContact NE2-CA 3.34Å; R231-L388 HydrophobicContact CG-CD2 4.15Å; M232-L388 HydrophobicContact CE-CD2 3.66Å; M232-L388 HydrophobicContact CE-CG 4.28Å; Y385-L388 WeakPolarHBondContact O-CB 3.49Å; Y385-L388 PolarHBondContact O-N 2.88Å; G386-L388 PolarHBondContact O-N 3.05Å |
| 389 | L | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | -50.1 | 125.6 | 178.6 | -169 | 75.4 | 0 | 0 | 0 | 110.7 | Q103 Y118 I181 R380 D381 Y385 Q393 | Q103-L389 PolarHBondContact NE2-O 3.32Å; Y118-L389 WeakPolarHBondContact CE2-O 3.48Å; Y118-L389 PolarHBondContact OH-O 3.39Å; I181-L389 HydrophobicContact CB-CD2 4.19Å; I181-L389 HydrophobicContact CD1-CD2 4.07Å; I181-L389 HydrophobicContact CG1-CD2 3.84Å; R380-L389 HydrophobicContact CB-CD1 4.21Å; R380-L389 HydrophobicContact CB-CD2 3.95Å; D381-L389 HydrophobicContact CB-CD1 4.07Å; Y385-L389 HydrophobicContact CD2-CD1 4.04Å; L389-Q393 HydrophobicContact CD1-CB 3.94Å; L389-Q393 HydrophobicContact CD1-CG 4.2Å; L389-Q393 HydrophobicContact CD2-CB 4.05Å; L389-Q393 HydrophobicContact CG-CB 3.79Å; L389-Q393 HydrophobicContact CG-CG 4.49Å | ||
| 390 | P | 97.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | trans | -72 | 156.1 | -172.8 | 26.8 | -34.3 | 0 | 0 | 0 | 112.9 | Y385 S392 Q393 | Y385-P390 HydrophobicContact CD1-CG 4.49Å; Y385-P390 HydrophobicContact CD2-CG 4.3Å; Y385-P390 HydrophobicContact CE1-CG 4.16Å; Y385-P390 HydrophobicContact CE2-CG 3.96Å; P390-S392 PolarHBondContact O-N 2.68Å; P390-Q393 HydrophobicContact CG-CB 4.39Å; P390-Q393 HydrophobicContact CG-CG 3.8Å; P390-Q393 WeakPolarHBondContact O-CB 3.43Å; P390-Q393 PolarHBondContact O-N 3.24Å | ||
| 391 | E | 97.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -56.5 | -34.7 | -179.3 | -74.3 | -178.5 | 149.7 | 0 | 0 | 113.2 | Q103 D105 S106 K117 Y118 Q393 I394 | Q103-E391 WeakPolarHBondContact O-CG 3.36Å; Q103-E391 PolarHBondContact O-N 3.12Å; D105-E391 WeakPolarHBondContact OD1-CB 3.25Å; D105-E391 PolarHBondContact OD1-N 2.87Å; D105-E391 VanDerWaalsContact OD1-N 3.16Å; S106-E391 WeakPolarHBondContact CB-OE2 3.46Å; S106-E391 PolarHBondContact OG-OE2 3.38Å; K117-E391 WeakPolarHBondContact CA-OE1 3.39Å; K117-E391 WeakPolarHBondContact CB-OE1 3.41Å; K117-E391 WeakPolarHBondContact CG-OE1 3.29Å; K117-E391 IonicContact NZ-OE2 3.48Å; Y118-E391 HydrophobicContact CD2-CG 3.78Å; Y118-E391 HydrophobicContact CE2-CG 4.06Å; Y118-E391 PolarHBondContact N-OE1 3.36Å; E391-Q393 PolarHBondContact O-N 3.35Å; E391-Q393 VanDerWaalsContact O-N 3.11Å; E391-I394 HydrophobicContact CB-CD1 4.12Å; E391-I394 HydrophobicContact CG-CD1 4.04Å; E391-I394 WeakPolarHBondContact O-CB 3.32Å; E391-I394 WeakPolarHBondContact O-CG1 3.44Å; E391-I394 PolarHBondContact O-N 2.97Å |
| 392 | S | 97.3 | Very high | 97.6 | Very high | 62 Ų | 62 | 30.2 Ų | 30.2 | 43% | 0.434 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -58.3 | -21.5 | 174.5 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | D105 P390 P396 | D105-S392 PolarHBondContact OD1-N 2.03Å; D105-S392 WeakPolarHBondContact OD2-CB 3.01Å; D105-S392 PolarHBondContact OD2-OG 2.95Å; P390-S392 PolarHBondContact O-N 2.68Å; S392-P396 WeakPolarHBondContact O-CD 3.27Å |
| 393 | Q | 98.5 | Very high | 97.7 | Very high | 55 Ų | 55 | 29.6 Ų | 29.6 | 26% | 0.257 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -93.5 | -7.8 | 177.5 | -66.4 | -71 | -30.1 | 0 | 0 | 113.5 | L389 P390 E391 P396 T397 | L389-Q393 HydrophobicContact CD1-CB 3.94Å; L389-Q393 HydrophobicContact CD1-CG 4.2Å; L389-Q393 HydrophobicContact CD2-CB 4.05Å; L389-Q393 HydrophobicContact CG-CB 3.79Å; L389-Q393 HydrophobicContact CG-CG 4.49Å; P390-Q393 HydrophobicContact CG-CB 4.39Å; P390-Q393 HydrophobicContact CG-CG 3.8Å; P390-Q393 WeakPolarHBondContact O-CB 3.43Å; P390-Q393 PolarHBondContact O-N 3.24Å; E391-Q393 PolarHBondContact O-N 3.35Å; E391-Q393 VanDerWaalsContact O-N 3.11Å; Q393-P396 WeakPolarHBondContact O-CD 3.25Å; Q393-T397 VanDerWaalsContact O-CB 3.28Å; Q393-T397 WeakPolarHBondContact O-CB 3.36Å; Q393-T397 PolarHBondContact O-N 3.2Å; Q393-T397 PolarHBondContact O-OG1 2.95Å |
| 394 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -53 | 178.8 | -68 | 169.7 | 0 | 0 | 0 | 110.2 | Y115 Y118 I181 A184 E391 T397 C398 | Y115-I394 WeakPolarHBondContact O-CG2 3.27Å; Y118-I394 HydrophobicContact CD1-CD1 3.88Å; Y118-I394 HydrophobicContact CD2-CD1 4.2Å; Y118-I394 HydrophobicContact CE1-CD1 3.68Å; Y118-I394 HydrophobicContact CE1-CG1 3.85Å; Y118-I394 HydrophobicContact CE2-CD1 4.01Å; Y118-I394 HydrophobicContact CE2-CG1 4.37Å; Y118-I394 HydrophobicContact CG-CD1 4.15Å; I181-I394 HydrophobicContact CD1-CB 4.26Å; I181-I394 HydrophobicContact CD1-CG1 3.98Å; I181-I394 HydrophobicContact CD1-CG2 4.34Å; A184-I394 HydrophobicContact CB-CG2 4.08Å; E391-I394 HydrophobicContact CB-CD1 4.12Å; E391-I394 HydrophobicContact CG-CD1 4.04Å; E391-I394 WeakPolarHBondContact O-CB 3.32Å; E391-I394 WeakPolarHBondContact O-CG1 3.44Å; E391-I394 PolarHBondContact O-N 2.97Å; I394-T397 PolarHBondContact O-N 2.81Å; I394-C398 WeakPolarHBondContact O-CB 3.43Å; I394-C398 PolarHBondContact O-N 3.26Å; I394-C398 PolarHBondContact O-SG 3.01Å |
| 395 | K | 98.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 22.5 Ų | 22.5 | 43% | 0.43 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -59.6 | -54.3 | -177.4 | 166.7 | 171.1 | -174.6 | -175.4 | 0 | 112.2 | T116 W188 T397 C398 E399 | T116-K395 HydrophobicContact CG2-CB 4.19Å; W188-K395 HydrophobicContact CH2-CB 3.97Å; W188-K395 HydrophobicContact CH2-CD 4.03Å; W188-K395 HydrophobicContact CH2-CG 3.62Å; W188-K395 HydrophobicContact CZ2-CG 4.39Å; W188-K395 HydrophobicContact CZ3-CB 3.97Å; W188-K395 HydrophobicContact CZ3-CG 4.16Å; K395-T397 VanDerWaalsContact C-N 3.3Å; K395-T397 PolarHBondContact O-N 3.18Å; K395-C398 PolarHBondContact O-N 3.05Å; K395-C398 VanDerWaalsContact O-N 3.17Å; K395-E399 WeakPolarHBondContact CE-OE1 3.3Å; K395-E399 WeakPolarHBondContact CE-OE2 3.4Å; K395-E399 HydrophobicContact CG-CG 4.25Å; K395-E399 WeakPolarHBondContact CG-OE2 3.35Å; K395-E399 IonicContact NZ-OE1 3.93Å; K395-E399 WeakPolarHBondContact O-CB 3.37Å; K395-E399 WeakPolarHBondContact O-CG 3.4Å; K395-E399 PolarHBondContact O-N 3.35Å |
| 396 | P | 98.7 | Very high | 98.4 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 20% | 0.195 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.4 | -41.7 | 177 | -26.8 | 33.8 | 0 | 0 | 0 | 113.6 | Y342 S392 Q393 E400 | Y342-P396 HydrophobicContact CD2-CB 4.04Å; Y342-P396 WeakPolarHBondContact CD2-O 3.43Å; Y342-P396 VanDerWaalsContact CE2-CA 3.49Å; Y342-P396 HydrophobicContact CE2-CB 3.84Å; Y342-P396 VanDerWaalsContact CE2-O 3.25Å; Y342-P396 WeakPolarHBondContact CE2-O 3.42Å; S392-P396 WeakPolarHBondContact O-CD 3.27Å; Q393-P396 WeakPolarHBondContact O-CD 3.25Å; P396-E400 WeakPolarHBondContact O-CG 3.2Å; P396-E400 PolarHBondContact O-N 3.34Å |
| 397 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | I181 L379 R380 Q393 I394 K395 E400 T401 | I181-T397 HydrophobicContact CD1-CG2 4.07Å; I181-T397 HydrophobicContact CG1-CG2 3.74Å; L379-T397 HydrophobicContact CB-CG2 4.18Å; L379-T397 HydrophobicContact CD1-CG2 4.26Å; R380-T397 HydrophobicContact CB-CG2 4.13Å; R380-T397 WeakPolarHBondContact CD-OG1 3.17Å; R380-T397 HydrophobicContact CG-CG2 4.05Å; Q393-T397 VanDerWaalsContact O-CB 3.28Å; Q393-T397 WeakPolarHBondContact O-CB 3.36Å; Q393-T397 PolarHBondContact O-N 3.2Å; Q393-T397 PolarHBondContact O-OG1 2.95Å; I394-T397 PolarHBondContact O-N 2.81Å; K395-T397 VanDerWaalsContact C-N 3.3Å; K395-T397 PolarHBondContact O-N 3.18Å; T397-E400 WeakPolarHBondContact O-CG 3.43Å; T397-T401 VanDerWaalsContact O-CB 3.25Å; T397-T401 WeakPolarHBondContact O-CB 3.34Å; T397-T401 PolarHBondContact O-N 3.22Å; T397-T401 VanDerWaalsContact O-N 3.12Å; T397-T401 PolarHBondContact O-OG1 3.23Å |
| 398 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.5 | -40.8 | -178.7 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | F185 W188 I394 K395 T401 M402 | F185-C398 HydrophobicContact CD2-CB 4.19Å; W188-C398 HydrophobicContact CB-CB 3.72Å; W188-C398 HydrophobicContact CD2-CB 3.43Å; W188-C398 VanDerWaalsContact CD2-CB 3.43Å; W188-C398 HydrophobicContact CE3-CB 3.94Å; W188-C398 HydrophobicContact CG-CB 3.29Å; I394-C398 WeakPolarHBondContact O-CB 3.43Å; I394-C398 PolarHBondContact O-N 3.26Å; I394-C398 PolarHBondContact O-SG 3.01Å; K395-C398 PolarHBondContact O-N 3.05Å; K395-C398 VanDerWaalsContact O-N 3.17Å; C398-T401 PolarHBondContact O-N 2.9Å; C398-M402 WeakPolarHBondContact O-CB 3.41Å; C398-M402 PolarHBondContact O-N 3.23Å |
| 399 | E | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 24.3 Ų | 24.3 | 24% | 0.238 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 179.4 | -73.4 | 177.2 | 137.1 | 0 | 0 | 111.7 | W188 L341 Y342 K395 | W188-E399 HydrophobicContact CH2-CG 4.25Å; W188-E399 HydrophobicContact CZ2-CG 3.51Å; L341-E399 HydrophobicContact CD2-CB 3.7Å; Y342-E399 HydrophobicContact CE2-CB 4.14Å; Y342-E399 PolarHBondContact OH-OE2 3.24Å; K395-E399 WeakPolarHBondContact CE-OE1 3.3Å; K395-E399 WeakPolarHBondContact CE-OE2 3.4Å; K395-E399 HydrophobicContact CG-CG 4.25Å; K395-E399 WeakPolarHBondContact CG-OE2 3.35Å; K395-E399 IonicContact NZ-OE1 3.93Å; K395-E399 WeakPolarHBondContact O-CB 3.37Å; K395-E399 WeakPolarHBondContact O-CG 3.4Å; K395-E399 PolarHBondContact O-N 3.35Å |
| 400 | E | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.2 | -39.4 | 177.3 | 72.4 | -173.9 | -171.2 | 0 | 0 | 112.5 | L338 L341 Y342 T344 R380 P396 T397 M402 L403 A404 | L338-E400 HydrophobicContact CD1-CG 4.28Å; L338-E400 HydrophobicContact CD2-CB 4.01Å; L338-E400 HydrophobicContact CD2-CG 3.79Å; L338-E400 HydrophobicContact CG-CB 3.8Å; L338-E400 HydrophobicContact CG-CG 3.75Å; L338-E400 WeakPolarHBondContact CG-O 3.45Å; L341-E400 HydrophobicContact CB-CB 4.45Å; L341-E400 HydrophobicContact CD2-CB 4.35Å; Y342-E400 HydrophobicContact CD2-CB 4.05Å; T344-E400 WeakPolarHBondContact CB-OE2 3.44Å; T344-E400 WeakPolarHBondContact CG2-OE1 3.46Å; T344-E400 PolarHBondContact OG1-OE1 2.98Å; T344-E400 PolarHBondContact OG1-OE2 2.9Å; R380-E400 IonicContact CZ-OE1 3.76Å; R380-E400 IonicContact CZ-OE2 3.32Å; R380-E400 IonicContact NE-OE1 3.87Å; R380-E400 PolarHBondContact NE-OE1 3.14Å; R380-E400 IonicContact NE-OE2 2.66Å; R380-E400 VanDerWaalsContact NH2-CD 3.3Å; R380-E400 IonicContact NH2-OE1 3.49Å; R380-E400 PolarHBondContact NH2-OE1 3.19Å; R380-E400 IonicContact NH2-OE2 2.62Å; R380-E400 PolarHBondContact NH2-OE2 3.06Å; P396-E400 WeakPolarHBondContact O-CG 3.2Å; P396-E400 PolarHBondContact O-N 3.34Å; T397-E400 WeakPolarHBondContact O-CG 3.43Å; E400-M402 VanDerWaalsContact C-N 3.25Å; E400-M402 PolarHBondContact O-N 3.11Å; E400-L403 WeakPolarHBondContact O-CB 3.39Å; E400-L403 PolarHBondContact O-N 2.61Å; E400-L403 VanDerWaalsContact O-N 3.09Å; E400-A404 PolarHBondContact O-N 2.78Å |
| 401 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -35.1 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | F185 F377 L379 T397 C398 L403 A404 V405 | F185-T401 HydrophobicContact CD1-CG2 4.25Å; F185-T401 HydrophobicContact CD2-CG2 3.83Å; F185-T401 HydrophobicContact CE1-CG2 3.88Å; F185-T401 HydrophobicContact CE2-CG2 3.44Å; F185-T401 VanDerWaalsContact CE2-CG2 3.44Å; F185-T401 HydrophobicContact CG-CG2 4.21Å; F185-T401 HydrophobicContact CZ-CG2 3.47Å; F185-T401 VanDerWaalsContact CZ-CG2 3.47Å; F377-T401 HydrophobicContact CD1-CG2 4.33Å; F377-T401 HydrophobicContact CE1-CG2 4.48Å; L379-T401 HydrophobicContact CD2-CG2 3.67Å; T397-T401 VanDerWaalsContact O-CB 3.25Å; T397-T401 WeakPolarHBondContact O-CB 3.34Å; T397-T401 PolarHBondContact O-N 3.22Å; T397-T401 VanDerWaalsContact O-N 3.12Å; T397-T401 PolarHBondContact O-OG1 3.23Å; C398-T401 PolarHBondContact O-N 2.9Å; T401-L403 VanDerWaalsContact C-N 3.26Å; T401-L403 PolarHBondContact O-N 2.58Å; T401-A404 WeakPolarHBondContact O-CB 3.23Å; T401-A404 PolarHBondContact O-N 2.96Å; T401-A404 VanDerWaalsContact O-N 3.15Å; T401-V405 HydrophobicContact CG2-CG2 4.47Å; T401-V405 PolarHBondContact O-N 3.11Å |
| 402 | M | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.1 | -37.2 | 174 | 179.9 | 62.4 | 66 | 0 | 0 | 112.8 | F189 E192 M203 C398 E400 V405 K406 | F189-M402 HydrophobicContact CB-CE 3.98Å; F189-M402 HydrophobicContact CD2-CE 3.5Å; F189-M402 HydrophobicContact CD2-SD 3.85Å; F189-M402 HydrophobicContact CE2-CE 4.33Å; F189-M402 HydrophobicContact CE2-SD 4.18Å; F189-M402 HydrophobicContact CG-CE 4.07Å; E192-M402 HydrophobicContact CB-CE 3.73Å; E192-M402 VanDerWaalsContact CD-CG 3.5Å; E192-M402 HydrophobicContact CG-CE 4.22Å; E192-M402 WeakPolarHBondContact OE1-CG 3.29Å; E192-M402 WeakPolarHBondContact OE2-CG 3.46Å; M203-M402 HydrophobicContact CE-SD 4.03Å; C398-M402 WeakPolarHBondContact O-CB 3.41Å; C398-M402 PolarHBondContact O-N 3.23Å; E400-M402 VanDerWaalsContact C-N 3.25Å; E400-M402 PolarHBondContact O-N 3.11Å; M402-V405 PolarHBondContact O-N 3.32Å; M402-K406 HydrophobicContact CG-CD 4.05Å; M402-K406 HydrophobicContact CG-CG 4.33Å; M402-K406 WeakPolarHBondContact O-CB 3.26Å; M402-K406 WeakPolarHBondContact O-CG 3.46Å; M402-K406 PolarHBondContact O-N 3.2Å; M402-K406 HydrophobicContact SD-CD 4.2Å; M402-K406 HydrophobicContact SD-CG 4.02Å |
| 403 | L | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 30% | 0.298 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.8 | -61.3 | -180 | 0 | 0 | 0 | 111.5 | A337 L341 E400 T401 Y407 | A337-L403 HydrophobicContact CB-CB 4.34Å; A337-L403 WeakPolarHBondContact O-CD1 3.37Å; L341-L403 HydrophobicContact CB-CD1 3.76Å; L341-L403 HydrophobicContact CD2-CD1 4.19Å; L341-L403 HydrophobicContact CG-CD1 4.44Å; E400-L403 WeakPolarHBondContact O-CB 3.39Å; E400-L403 PolarHBondContact O-N 2.61Å; E400-L403 VanDerWaalsContact O-N 3.09Å; T401-L403 VanDerWaalsContact C-N 3.26Å; T401-L403 PolarHBondContact O-N 2.58Å; L403-Y407 WeakPolarHBondContact O-CB 3.44Å; L403-Y407 PolarHBondContact O-N 2.87Å |
| 404 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A334 L338 F377 E400 T401 K406 Y407 I408 | A334-A404 HydrophobicContact CB-CB 3.98Å; L338-A404 HydrophobicContact CB-CB 4.11Å; L338-A404 HydrophobicContact CD1-CB 4.18Å; F377-A404 HydrophobicContact CE1-CB 3.73Å; F377-A404 HydrophobicContact CZ-CB 4.08Å; E400-A404 PolarHBondContact O-N 2.78Å; T401-A404 WeakPolarHBondContact O-CB 3.23Å; T401-A404 PolarHBondContact O-N 2.96Å; T401-A404 VanDerWaalsContact O-N 3.15Å; A404-K406 PolarHBondContact O-N 3.23Å; A404-Y407 WeakPolarHBondContact O-CB 3.29Å; A404-Y407 PolarHBondContact O-N 3.1Å; A404-Y407 VanDerWaalsContact O-N 3.16Å; A404-I408 WeakPolarHBondContact O-CG1 3.15Å; A404-I408 PolarHBondContact O-N 3.19Å |
| 405 | V | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 179.7 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | F185 F189 L301 F377 T401 M402 Y407 I408 A409 | F185-V405 HydrophobicContact CE1-CG2 4.1Å; F185-V405 HydrophobicContact CZ-CB 4.45Å; F185-V405 HydrophobicContact CZ-CG2 3.71Å; F189-V405 HydrophobicContact CD2-CG1 4.14Å; F189-V405 HydrophobicContact CE2-CG1 3.74Å; L301-V405 HydrophobicContact CD1-CG1 4.08Å; L301-V405 HydrophobicContact CD1-CG2 4.42Å; F377-V405 HydrophobicContact CE2-CG2 4.38Å; F377-V405 HydrophobicContact CZ-CG2 4.14Å; T401-V405 HydrophobicContact CG2-CG2 4.47Å; T401-V405 PolarHBondContact O-N 3.11Å; M402-V405 PolarHBondContact O-N 3.32Å; V405-Y407 VanDerWaalsContact C-N 3.3Å; V405-Y407 PolarHBondContact O-N 3.04Å; V405-I408 PolarHBondContact O-N 2.67Å; V405-A409 VanDerWaalsContact O-CB 3.26Å; V405-A409 WeakPolarHBondContact O-CB 3.39Å; V405-A409 PolarHBondContact O-N 2.96Å |
| 406 | K | 98.6 | Very high | 98.5 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 15% | 0.148 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 173.9 | -78 | 178.7 | 171.6 | 176.5 | 0 | 111.8 | E192 D200 M203 M402 A404 A410 | E192-K406 IonicContact OE1-NZ 3.82Å; E192-K406 PolarHBondContact OE1-NZ 2.92Å; D200-K406 IonicContact OD1-NZ 2.74Å; D200-K406 PolarHBondContact OD1-NZ 3.06Å; M203-K406 VanDerWaalsContact CE-CE 3.48Å; M402-K406 HydrophobicContact CG-CD 4.05Å; M402-K406 HydrophobicContact CG-CG 4.33Å; M402-K406 WeakPolarHBondContact O-CB 3.26Å; M402-K406 WeakPolarHBondContact O-CG 3.46Å; M402-K406 PolarHBondContact O-N 3.2Å; M402-K406 HydrophobicContact SD-CD 4.2Å; M402-K406 HydrophobicContact SD-CG 4.02Å; A404-K406 PolarHBondContact O-N 3.23Å; K406-A410 VanDerWaalsContact O-CB 3.3Å; K406-A410 WeakPolarHBondContact O-CB 3.45Å; K406-A410 PolarHBondContact O-N 3.45Å |
| 407 | Y | 98.8 | Very high | 98.3 | Very high | 96 Ų | 96 | 39.1 Ų | 39.1 | 38% | 0.376 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 176.6 | -174 | -82.7 | 0 | 0 | 0 | 111.7 | A334 A337 L403 A404 V405 A409 A410 H411 | A334-Y407 HydrophobicContact CB-CD1 3.89Å; A334-Y407 HydrophobicContact CB-CG 4.37Å; A337-Y407 HydrophobicContact CB-CD2 4.26Å; L403-Y407 WeakPolarHBondContact O-CB 3.44Å; L403-Y407 PolarHBondContact O-N 2.87Å; A404-Y407 WeakPolarHBondContact O-CB 3.29Å; A404-Y407 PolarHBondContact O-N 3.1Å; A404-Y407 VanDerWaalsContact O-N 3.16Å; V405-Y407 VanDerWaalsContact C-N 3.3Å; V405-Y407 PolarHBondContact O-N 3.04Å; Y407-A409 PolarHBondContact O-N 2.82Å; Y407-A410 PolarHBondContact O-N 3.3Å; Y407-H411 PolarHBondContact O-N 3.37Å |
| 408 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 177.3 | -63.6 | 174.2 | 0 | 0 | 0 | 110 | L301 L310 V330 A334 Y375 F377 A404 V405 A410 H411 V412 | L301-I408 HydrophobicContact CD2-CD1 4.32Å; L301-I408 HydrophobicContact CD2-CG2 4.12Å; L310-I408 HydrophobicContact CD2-CD1 4.4Å; V330-I408 HydrophobicContact CG1-CG1 4.04Å; V330-I408 HydrophobicContact CG1-CG2 4.49Å; A334-I408 HydrophobicContact CB-CD1 4.16Å; A334-I408 HydrophobicContact CB-CG1 3.79Å; Y375-I408 HydrophobicContact CD2-CD1 4.02Å; Y375-I408 HydrophobicContact CD2-CG2 4.09Å; Y375-I408 HydrophobicContact CE2-CD1 4.37Å; Y375-I408 HydrophobicContact CE2-CG2 3.95Å; Y375-I408 HydrophobicContact CG-CD1 4.25Å; F377-I408 HydrophobicContact CE2-CD1 3.87Å; F377-I408 HydrophobicContact CZ-CD1 3.59Å; A404-I408 WeakPolarHBondContact O-CG1 3.15Å; A404-I408 PolarHBondContact O-N 3.19Å; V405-I408 PolarHBondContact O-N 2.67Å; I408-A410 VanDerWaalsContact C-N 3.32Å; I408-A410 PolarHBondContact O-N 3.36Å; I408-H411 WeakPolarHBondContact O-CB 3.48Å; I408-H411 PolarHBondContact O-N 3.05Å; I408-V412 HydrophobicContact CG2-CG2 4.15Å; I408-V412 VanDerWaalsContact O-CG2 3.27Å; I408-V412 WeakPolarHBondContact O-CG2 3.39Å; I408-V412 PolarHBondContact O-N 3.42Å |
| 409 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I169 L206 V405 Y407 H411 V412 Q413 | I169-A409 HydrophobicContact CD1-CB 3.52Å; L206-A409 HydrophobicContact CD1-CB 3.82Å; L206-A409 HydrophobicContact CD2-CB 3.89Å; L206-A409 HydrophobicContact CG-CB 4.49Å; V405-A409 VanDerWaalsContact O-CB 3.26Å; V405-A409 WeakPolarHBondContact O-CB 3.39Å; V405-A409 PolarHBondContact O-N 2.96Å; Y407-A409 PolarHBondContact O-N 2.82Å; A409-H411 VanDerWaalsContact C-N 3.33Å; A409-H411 PolarHBondContact O-N 2.04Å; A409-V412 PolarHBondContact O-N 3.3Å; A409-Q413 WeakPolarHBondContact O-CB 3.08Å; A409-Q413 PolarHBondContact O-N 2.96Å |
| 410 | A | 98.6 | Very high | 98.2 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.3 | -33.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K406 Y407 I408 K414 | K406-A410 VanDerWaalsContact O-CB 3.3Å; K406-A410 WeakPolarHBondContact O-CB 3.45Å; K406-A410 PolarHBondContact O-N 3.45Å; Y407-A410 PolarHBondContact O-N 3.3Å; I408-A410 VanDerWaalsContact C-N 3.32Å; I408-A410 PolarHBondContact O-N 3.36Å; A410-K414 WeakPolarHBondContact O-CD 3.48Å; A410-K414 WeakPolarHBondContact O-CG 3.02Å; A410-K414 PolarHBondContact O-N 3.13Å |
| 411 | H | 98.7 | Very high | 98.2 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -46.6 | 172.6 | -174.4 | 90.6 | 0 | 0 | 0 | 111.2 | E326 V330 Y373 Y407 I408 A409 Q413 K414 N415 | E326-H411 IonicContact OE1-CD2 2.7Å; E326-H411 IonicContact OE1-CE1 3.89Å; E326-H411 IonicContact OE1-NE2 3.52Å; E326-H411 PolarHBondContact OE1-NE2 3.01Å; V330-H411 HydrophobicContact CG1-CB 4.42Å; V330-H411 HydrophobicContact CG2-CB 4.33Å; V330-H411 VanDerWaalsContact CG2-CD2 3.5Å; V330-H411 WeakPolarHBondContact CG2-CD2 3.21Å; V330-H411 WeakPolarHBondContact CG2-NE2 3.45Å; Y373-H411 AromaticContact CE1-CD2 3.56Å; Y373-H411 AromaticContact CE1-NE2 3.72Å; Y373-H411 AromaticContact CZ-CD2 3.85Å; Y407-H411 PolarHBondContact O-N 3.37Å; I408-H411 WeakPolarHBondContact O-CB 3.48Å; I408-H411 PolarHBondContact O-N 3.05Å; A409-H411 VanDerWaalsContact C-N 3.33Å; A409-H411 PolarHBondContact O-N 2.04Å; H411-Q413 PolarHBondContact O-N 2.89Å; H411-K414 PolarHBondContact O-N 3.09Å; H411-N415 PolarHBondContact CE1-ND2 3.46Å; H411-N415 PolarHBondContact NE2-ND2 3.11Å; H411-N415 PolarHBondContact O-N 2.97Å; H411-N415 VanDerWaalsContact O-N 3.16Å; H411-N415 PolarHBondContact O-ND2 3.09Å |
| 412 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -47.3 | 178.6 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | M210 K298 A299 Y373 I408 A409 K414 N415 L416 | M210-V412 HydrophobicContact CE-CG1 3.73Å; K298-V412 HydrophobicContact CB-CG1 3.79Å; A299-V412 HydrophobicContact CB-CG1 4.33Å; A299-V412 HydrophobicContact CB-CG2 3.81Å; Y373-V412 HydrophobicContact CD1-CG2 4.5Å; Y373-V412 HydrophobicContact CD2-CB 4.25Å; Y373-V412 HydrophobicContact CD2-CG1 4.06Å; Y373-V412 HydrophobicContact CD2-CG2 3.62Å; Y373-V412 HydrophobicContact CE2-CB 4.47Å; Y373-V412 HydrophobicContact CE2-CG1 4.35Å; Y373-V412 HydrophobicContact CE2-CG2 4.2Å; Y373-V412 HydrophobicContact CG-CG2 3.78Å; I408-V412 HydrophobicContact CG2-CG2 4.15Å; I408-V412 VanDerWaalsContact O-CG2 3.27Å; I408-V412 WeakPolarHBondContact O-CG2 3.39Å; I408-V412 PolarHBondContact O-N 3.42Å; A409-V412 PolarHBondContact O-N 3.3Å; V412-K414 PolarHBondContact O-N 3.32Å; V412-N415 CarbonylContact O-C 3.56Å; V412-N415 VanDerWaalsContact O-C 3.31Å; V412-N415 PolarHBondContact O-N 3Å; V412-L416 HydrophobicContact CG1-CD2 4.49Å; V412-L416 WeakPolarHBondContact O-CD2 3.43Å; V412-L416 PolarHBondContact O-N 3.2Å |
| 413 | Q | 97.6 | Very high | 98.1 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -34.2 | 179.4 | -170.4 | -175 | 12.8 | 0 | 0 | 112.7 | S205 D209 M210 A409 H411 | S205-Q413 PolarHBondContact O-NE2 2.86Å; S205-Q413 PolarHBondContact OG-NE2 2.93Å; D209-Q413 PolarHBondContact OD2-NE2 3.44Å; M210-Q413 HydrophobicContact SD-CB 3.86Å; M210-Q413 HydrophobicContact SD-CG 4.25Å; A409-Q413 WeakPolarHBondContact O-CB 3.08Å; A409-Q413 PolarHBondContact O-N 2.96Å; H411-Q413 PolarHBondContact O-N 2.89Å |
| 414 | K | 97.9 | Very high | 98.1 | Very high | 169 Ų | 169 | 50.9 Ų | 50.9 | 74% | 0.735 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -81.5 | -17.6 | 178.4 | -71 | 172.3 | -175.8 | 172 | 0 | 113.7 | A410 H411 V412 | A410-K414 WeakPolarHBondContact O-CD 3.48Å; A410-K414 WeakPolarHBondContact O-CG 3.02Å; A410-K414 PolarHBondContact O-N 3.13Å; H411-K414 PolarHBondContact O-N 3.09Å; V412-K414 PolarHBondContact O-N 3.32Å |
| 415 | N | 98.1 | Very high | 98 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -130.7 | 47.7 | -171.4 | -60.5 | -79.9 | 0 | 0 | 0 | 111.1 | Y373 H411 V412 | Y373-N415 WeakPolarHBondContact OH-CB 3.39Å; Y373-N415 PolarHBondContact OH-O 3.07Å; H411-N415 PolarHBondContact CE1-ND2 3.46Å; H411-N415 PolarHBondContact NE2-ND2 3.11Å; H411-N415 PolarHBondContact O-N 2.97Å; H411-N415 VanDerWaalsContact O-N 3.16Å; H411-N415 PolarHBondContact O-ND2 3.09Å; V412-N415 CarbonylContact O-C 3.56Å; V412-N415 VanDerWaalsContact O-C 3.31Å; V412-N415 PolarHBondContact O-N 3Å |
| 416 | L | 96.8 | Very high | 97.9 | Very high | 86 Ų | 86 | 59.1 Ų | 59.1 | 45% | 0.45 | 28% | 0.275 | S | S | . | . | trans | -66.1 | 148.8 | 174.3 | -62.9 | 175 | 0 | 0 | 0 | 111.1 | P167 M210 K298 V412 | P167-L416 HydrophobicContact CB-CD1 4.42Å; P167-L416 HydrophobicContact CB-CD2 3.68Å; P167-L416 HydrophobicContact CG-CD1 3.76Å; P167-L416 HydrophobicContact CG-CD2 3.94Å; P167-L416 HydrophobicContact CG-CG 4.49Å; M210-L416 HydrophobicContact CE-CD2 4.45Å; K298-L416 HydrophobicContact CG-CD2 4.04Å; V412-L416 HydrophobicContact CG1-CD2 4.49Å; V412-L416 WeakPolarHBondContact O-CD2 3.43Å; V412-L416 PolarHBondContact O-N 3.2Å | ||
| 417 | Y | 94 | Very high | 97.9 | Very high | 136 Ų | 136 | 61.4 Ų | 61.4 | 53% | 0.533 | 29% | 0.287 | S | S | . | . | trans | -139.9 | 0 | -177.4 | 65.8 | -87.2 | 0 | 0 | 0 | 112.6 | K298 G370 V371 K372 Y373 | K298-Y417 HydrophobicContact CB-CE1 4.09Å; K298-Y417 HydrophobicContact CD-CD1 4.24Å; K298-Y417 HydrophobicContact CD-CE1 3.87Å; K298-Y417 HydrophobicContact CD-CE2 4.39Å; K298-Y417 WeakPolarHBondContact CE-O 3.4Å; K298-Y417 HydrophobicContact CG-CE1 4.5Å; K298-Y417 PolarHBondContact NZ-O 3.21Å; G370-Y417 PolarHBondContact O-OH 3.26Å; V371-Y417 WeakPolarHBondContact CA-OH 3.37Å; K372-Y417 HydrophobicContact CB-CE1 3.76Å; K372-Y417 PolarHBondContact N-OH 3.3Å; Y373-Y417 HydrophobicContact CD2-CE1 4.43Å; Y373-Y417 HydrophobicContact CE2-CD1 4.47Å; Y373-Y417 HydrophobicContact CE2-CE1 4.31Å |
Retrieved 417 of 417 residues in 248.4 ms
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