| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.7 | Very low | 64.4 | Low | 245 Ų | 245 | 108.5 Ų | 108.5 | 100% | 1.207 | 57% | 0.565 | S | S | * | * | 0 | 102.5 | 0 | -71.6 | -166.2 | -76.5 | 0 | 0 | 106.8 | Q3 | M1-Q3 PolarHBondContact O-N 2.76Š| |||
| 2 | A | 33.2 | Very low | 66.4 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 84% | 0.835 | 56% | 0.559 | S | S | * | * | trans | -72.1 | 121.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108 | E4 | A2-E4 PolarHBondContact O-N 3.06Å; A2-E4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | Q | 38.3 | Very low | 68.4 | Low | 181 Ų | 181 | 101.8 Ų | 101.8 | 85% | 0.846 | 52% | 0.516 | S | S | * | . | trans | -61.5 | 110.6 | 162.4 | -97.7 | 171.2 | -33.4 | 0 | 0 | 106.5 | M1 L5 | M1-Q3 PolarHBondContact O-N 2.76Å; Q3-L5 PolarHBondContact O-N 2.87Å | ||
| 4 | E | 48.5 | Very low | 69.9 | Low | 138 Ų | 138 | 94.6 Ų | 94.6 | 65% | 0.645 | 48% | 0.48 | S | S | * | . | trans | -59.2 | 111 | 162.6 | -79.6 | -177.4 | 160.4 | 0 | 0 | 106.8 | A2 Y6 | A2-E4 PolarHBondContact O-N 3.06Å; A2-E4 VanDerWaalsContact O-N 3.14Å; E4-Y6 HydrophobicContact CB-CD2 4.27Å; E4-Y6 HydrophobicContact CB-CE1 4.46Å; E4-Y6 HydrophobicContact CB-CE2 3.74Å; E4-Y6 WeakPolarHBondContact O-CD2 3.22Å; E4-Y6 PolarHBondContact O-N 2.86Å; E4-Y6 VanDerWaalsContact OE2-CZ 3.23Å; E4-Y6 PolarHBondContact OE2-OH 2.84Å | ||
| 5 | L | 49.2 | Very low | 71.2 | Confident | 172 Ų | 172 | 96 Ų | 96 | 90% | 0.901 | 48% | 0.481 | S | S | * | . | trans | -72.3 | 85.6 | 176.7 | -116.9 | 122.7 | 0 | 0 | 0 | 107.2 | Q3 | Q3-L5 PolarHBondContact O-N 2.87Š| ||
| 6 | Y | 64.9 | Low | 72.4 | Confident | 109 Ų | 109 | 99.6 Ų | 99.6 | 43% | 0.427 | 50% | 0.496 | S | S | . | . | trans | -67.9 | 143.4 | 169.8 | -62.7 | -76.7 | 0 | 0 | 0 | 109.5 | E4 F10 Y88 | E4-Y6 HydrophobicContact CB-CD2 4.27Å; E4-Y6 HydrophobicContact CB-CE1 4.46Å; E4-Y6 HydrophobicContact CB-CE2 3.74Å; E4-Y6 WeakPolarHBondContact O-CD2 3.22Å; E4-Y6 PolarHBondContact O-N 2.86Å; E4-Y6 VanDerWaalsContact OE2-CZ 3.23Å; E4-Y6 PolarHBondContact OE2-OH 2.84Å; Y6-F10 HydrophobicContact CD1-CD2 4.33Å; Y6-Y88 AromaticContact CD1-CD2 3.68Å; Y6-Y88 HydrophobicContact CD1-CD2 3.68Å; Y6-Y88 HydrophobicContact CD1-CE2 4.46Å; Y6-Y88 AromaticContact CD2-CD2 3.96Å; Y6-Y88 HydrophobicContact CD2-CD2 3.96Å; Y6-Y88 AromaticContact CD2-CE2 4Å; Y6-Y88 HydrophobicContact CD2-CE2 4Å; Y6-Y88 HydrophobicContact CE1-CD2 4.09Å; Y6-Y88 HydrophobicContact CE2-CD2 4.33Å; Y6-Y88 AromaticContact CG-CD2 3.6Å; Y6-Y88 HydrophobicContact CG-CD2 3.6Å; Y6-Y88 AromaticContact CG-CE2 3.93Å; Y6-Y88 HydrophobicContact CG-CE2 3.93Å | ||
| 7 | H | 81.9 | Confident | 73.4 | Confident | 41 Ų | 41 | 97.4 Ų | 97.4 | 19% | 0.19 | 50% | 0.497 | C | S | . | . | trans | -51.6 | 139.3 | 177 | -173.8 | -71 | 0 | 0 | 0 | 110.7 | E9 F10 E28 L29 F81 | H7-E9 PolarHBondContact ND1-N 2.84Å; H7-E9 PolarHBondContact O-N 3.06Å; H7-E9 VanDerWaalsContact O-N 3.14Å; H7-F10 HydrophobicContact CB-CD1 4.25Å; H7-F10 HydrophobicContact CB-CD2 4.4Å; H7-F10 HydrophobicContact CB-CE1 4.36Å; H7-F10 HydrophobicContact CB-CE2 4.48Å; H7-F10 HydrophobicContact CB-CG 4.27Å; H7-F10 HydrophobicContact CB-CZ 4.46Å; H7-F10 WeakPolarHBondContact O-CB 3.35Å; H7-F10 PolarHBondContact O-N 3.09Å; H7-E28 IonicContact CD2-OE2 2.95Å; H7-E28 PolarHBondContact CD2-OE2 3.34Å; H7-E28 IonicContact NE2-OE2 2.82Å; H7-E28 PolarHBondContact NE2-OE2 3.44Å; H7-L29 PolarHBondContact NE2-N 3.13Å; H7-F81 AromaticContact CD2-CE1 3.86Å | ||
| 8 | E | 86.8 | Confident | 74.2 | Confident | 131 Ų | 131 | 93.8 Ų | 93.8 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -55 | -40.5 | -171.7 | -170.4 | -174.6 | 159.5 | 0 | 0 | 112.4 | F10 A11 R12 | E8-F10 PolarHBondContact O-N 2.57Å; E8-A11 WeakPolarHBondContact O-CB 3.39Å; E8-A11 PolarHBondContact O-N 3.5Å; E8-A11 VanDerWaalsContact O-N 3.15Å; E8-R12 IonicContact OE1-CZ 2.65Å; E8-R12 IonicContact OE1-NH2 3.83Å; E8-R12 PolarHBondContact OE1-NH2 2.65Å |
| 9 | E | 91 | Very high | 75.2 | Confident | 18 Ų | 18 | 91 Ų | 91 | 8% | 0.084 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.3 | -24.3 | 177.3 | -67.4 | -59.2 | 123.8 | 0 | 0 | 114.5 | H7 A11 R12 A13 W22 L29 P31 | H7-E9 PolarHBondContact ND1-N 2.84Å; H7-E9 PolarHBondContact O-N 3.06Å; H7-E9 VanDerWaalsContact O-N 3.14Å; E9-A11 VanDerWaalsContact C-N 3.31Å; E9-A11 PolarHBondContact O-N 3.44Å; E9-R12 PolarHBondContact O-N 3.27Å; E9-R12 VanDerWaalsContact O-N 3.11Å; E9-R12 IonicContact OE1-CZ 3.81Å; E9-R12 IonicContact OE1-NE 2.64Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 3.48Å; E9-A13 PolarHBondContact O-N 3.5Å; E9-W22 PolarHBondContact OE2-NE1 3Å; E9-L29 HydrophobicContact CB-CB 4.49Å; E9-L29 HydrophobicContact CG-CB 4.45Å; E9-P31 HydrophobicContact CG-CG 4.36Å; E9-P31 WeakPolarHBondContact OE2-CG 3.47Å |
| 10 | F | 91.2 | Very high | 76.3 | Confident | 3 Ų | 3 | 89 Ų | 89 | 1% | 0.013 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 175.6 | -69.8 | 2.9 | 0 | 0 | 0 | 111.6 | Y6 H7 E8 R12 A13 L29 F81 Q84 M85 Y88 | Y6-F10 HydrophobicContact CD1-CD2 4.33Å; H7-F10 HydrophobicContact CB-CD1 4.25Å; H7-F10 HydrophobicContact CB-CD2 4.4Å; H7-F10 HydrophobicContact CB-CE1 4.36Å; H7-F10 HydrophobicContact CB-CE2 4.48Å; H7-F10 HydrophobicContact CB-CG 4.27Å; H7-F10 HydrophobicContact CB-CZ 4.46Å; H7-F10 WeakPolarHBondContact O-CB 3.35Å; H7-F10 PolarHBondContact O-N 3.09Å; E8-F10 PolarHBondContact O-N 2.57Å; F10-R12 PolarHBondContact O-N 3.19Å; F10-R12 VanDerWaalsContact O-N 3.09Å; F10-A13 PolarHBondContact O-N 2.81Å; F10-A13 VanDerWaalsContact O-N 3.1Å; F10-L29 HydrophobicContact CD1-CD1 4.2Å; F10-L29 HydrophobicContact CE1-CD1 3.56Å; F10-L29 HydrophobicContact CZ-CD1 4.5Å; F10-F81 HydrophobicContact CE1-CD1 4.49Å; F10-F81 HydrophobicContact CZ-CD1 4.22Å; F10-Q84 HydrophobicContact CE2-CB 3.64Å; F10-Q84 HydrophobicContact CZ-CB 3.76Å; F10-M85 HydrophobicContact CD1-CB 4.33Å; F10-M85 HydrophobicContact CD1-CG 4.31Å; F10-M85 HydrophobicContact CE1-CB 3.82Å; F10-M85 HydrophobicContact CE1-CE 4.19Å; F10-M85 HydrophobicContact CE1-CG 4.26Å; F10-M85 HydrophobicContact CE2-CB 4.42Å; F10-M85 HydrophobicContact CZ-CB 3.88Å; F10-Y88 HydrophobicContact CB-CD1 3.91Å; F10-Y88 HydrophobicContact CB-CD2 4.11Å; F10-Y88 HydrophobicContact CB-CE1 4.09Å; F10-Y88 HydrophobicContact CB-CE2 4.27Å; F10-Y88 HydrophobicContact CB-CG 3.93Å; F10-Y88 HydrophobicContact CD2-CD2 4.31Å; F10-Y88 HydrophobicContact CD2-CG 4.08Å; F10-Y88 HydrophobicContact CG-CG 4.37Å; F10-Y88 WeakPolarHBondContact O-CE1 3.01Å |
| 11 | A | 87.4 | Confident | 77.2 | Confident | 55 Ų | 55 | 85 Ų | 85 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.7 | -23.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E8 E9 K15 | E8-A11 WeakPolarHBondContact O-CB 3.39Å; E8-A11 PolarHBondContact O-N 3.5Å; E8-A11 VanDerWaalsContact O-N 3.15Å; E9-A11 VanDerWaalsContact C-N 3.31Å; E9-A11 PolarHBondContact O-N 3.44Å; A11-K15 WeakPolarHBondContact O-CE 3.46Å |
| 12 | R | 88.8 | Confident | 80.1 | Confident | 130 Ų | 130 | 73.6 Ų | 73.6 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -97.7 | -16.6 | 179.1 | -57.4 | 176.7 | -175.5 | 171.3 | -2.3 | 113.2 | E8 E9 F10 Q20 | E8-R12 IonicContact OE1-CZ 2.65Å; E8-R12 IonicContact OE1-NH2 3.83Å; E8-R12 PolarHBondContact OE1-NH2 2.65Å; E9-R12 PolarHBondContact O-N 3.27Å; E9-R12 VanDerWaalsContact O-N 3.11Å; E9-R12 IonicContact OE1-CZ 3.81Å; E9-R12 IonicContact OE1-NE 2.64Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 3.48Å; F10-R12 PolarHBondContact O-N 3.19Å; F10-R12 VanDerWaalsContact O-N 3.09Å; R12-Q20 PolarHBondContact O-NE2 2.71Å |
| 13 | A | 92.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 134.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E9 F10 K15 W22 L49 M85 | E9-A13 PolarHBondContact O-N 3.5Å; F10-A13 PolarHBondContact O-N 2.81Å; F10-A13 VanDerWaalsContact O-N 3.1Å; A13-K15 PolarHBondContact O-N 2.93Å; A13-K15 VanDerWaalsContact O-N 3.14Å; A13-W22 HydrophobicContact CB-CH2 4.08Å; A13-W22 HydrophobicContact CB-CZ2 4.42Å; A13-L49 HydrophobicContact CB-CD2 3.89Å; A13-M85 HydrophobicContact CB-SD 3.83Å |
| 14 | G | 89.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 13.8 | 167 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q16 T51 | G14-Q16 VanDerWaalsContact C-N 3.34Å; G14-T51 WeakPolarHBondContact CA-OG1 3.13Å |
| 15 | K | 89.6 | Confident | 87.6 | Confident | 115 Ų | 115 | 56.6 Ų | 56.6 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -76.5 | -20.8 | -179.6 | -60.5 | -60.4 | -177.2 | -172.6 | 0 | 113.6 | A11 A13 F58 | A11-K15 WeakPolarHBondContact O-CE 3.46Å; A13-K15 PolarHBondContact O-N 2.93Å; A13-K15 VanDerWaalsContact O-N 3.14Å; K15-F58 WeakPolarHBondContact O-CE2 3.24Å; K15-F58 VanDerWaalsContact O-CZ 3.28Å; K15-F58 WeakPolarHBondContact O-CZ 3.5Å |
| 16 | Q | 89.3 | Confident | 89.4 | Confident | 153 Ų | 153 | 56.9 Ų | 56.9 | 72% | 0.715 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -141.2 | 156.4 | -176.8 | -50.7 | -173.3 | 29.1 | 0 | 0 | 109.8 | G14 T51 | G14-Q16 VanDerWaalsContact C-N 3.34Å; Q16-T51 WeakPolarHBondContact O-CB 3.46Å; Q16-T51 WeakPolarHBondContact O-CG2 3.35Å |
| 17 | A | 89.4 | Confident | 90.4 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -68.6 | 136.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T51 K53 F58 | A17-T51 CarbonylContact C-O 3.56Å; A17-T51 VanDerWaalsContact CA-O 3.24Å; A17-T51 WeakPolarHBondContact CA-O 3.47Å; A17-K53 HydrophobicContact CB-CB 4.09Å; A17-F58 HydrophobicContact CB-CE1 4.49Å |
| 18 | G | 89.1 | Confident | 90.8 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146 | -174 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T51 | G18-T51 PolarHBondContact N-O 3.23Å; G18-T51 PolarHBondContact O-N 2.59Å |
| 19 | L | 92.9 | Very high | 91 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.1 | 179.2 | -169.6 | 71.6 | 0 | 0 | 0 | 110.1 | V21 V48 H50 Y110 F111 | L19-V21 HydrophobicContact CD2-CG2 4.15Å; L19-V21 HydrophobicContact CG-CG2 4.16Å; L19-V48 HydrophobicContact CD1-CG1 3.6Å; L19-V48 HydrophobicContact CG-CG1 4.35Å; L19-H50 HydrophobicContact CD1-CB 3.98Å; L19-Y110 HydrophobicContact CD1-CD2 3.86Å; L19-Y110 HydrophobicContact CD1-CG 3.99Å; L19-F111 HydrophobicContact CD2-CD1 4.2Å; L19-F111 HydrophobicContact CD2-CE1 3.61Å; L19-F111 HydrophobicContact CD2-CZ 4.04Å |
| 20 | Q | 96.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.234 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.7 | 171.3 | -61.9 | 175.7 | -93.1 | 0 | 0 | 108.5 | R12 W22 V48 L49 | R12-Q20 PolarHBondContact O-NE2 2.71Å; Q20-W22 HydrophobicContact CB-CE3 4.35Å; Q20-W22 HydrophobicContact CB-CH2 3.29Å; Q20-W22 HydrophobicContact CB-CZ2 3.82Å; Q20-W22 HydrophobicContact CB-CZ3 3.59Å; Q20-W22 HydrophobicContact CG-CH2 4.13Å; Q20-W22 HydrophobicContact CG-CZ2 4.48Å; Q20-V48 CarbonylContact O-C 3.52Å; Q20-V48 WeakPolarHBondContact O-CA 3.45Å; Q20-L49 PolarHBondContact N-O 3.09Å; Q20-L49 PolarHBondContact O-N 3.09Å |
| 21 | V | 95.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129 | -177.7 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | L19 V32 Y46 L47 V48 F111 | L19-V21 HydrophobicContact CD2-CG2 4.15Å; L19-V21 HydrophobicContact CG-CG2 4.16Å; V21-V32 HydrophobicContact CB-CB 4.1Å; V21-V32 HydrophobicContact CB-CG2 4.44Å; V21-V32 HydrophobicContact CG1-CB 3.88Å; V21-V32 HydrophobicContact CG1-CG1 4.47Å; V21-V32 HydrophobicContact CG1-CG2 3.77Å; V21-V32 PolarHBondContact O-N 3.2Å; V21-Y46 HydrophobicContact CG1-CD1 4.23Å; V21-L47 WeakPolarHBondContact CA-O 3.42Å; V21-V48 HydrophobicContact CB-CG2 4.5Å; V21-V48 HydrophobicContact CG1-CG2 4.08Å; V21-V48 HydrophobicContact CG2-CG1 4.16Å; V21-V48 HydrophobicContact CG2-CG2 4.18Å; V21-F111 HydrophobicContact CG2-CE1 4.29Å; V21-F111 HydrophobicContact CG2-CZ 4.45Å |
| 22 | W | 96.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.8 | 172.7 | -59.8 | -95.6 | 0 | 0 | 0 | 109.5 | E9 A13 Q20 L29 V30 Y46 L47 L49 M85 | E9-W22 PolarHBondContact OE2-NE1 3Å; A13-W22 HydrophobicContact CB-CH2 4.08Å; A13-W22 HydrophobicContact CB-CZ2 4.42Å; Q20-W22 HydrophobicContact CB-CE3 4.35Å; Q20-W22 HydrophobicContact CB-CH2 3.29Å; Q20-W22 HydrophobicContact CB-CZ2 3.82Å; Q20-W22 HydrophobicContact CB-CZ3 3.59Å; Q20-W22 HydrophobicContact CG-CH2 4.13Å; Q20-W22 HydrophobicContact CG-CZ2 4.48Å; W22-L29 HydrophobicContact CB-CB 4.25Å; W22-L29 HydrophobicContact CB-CD2 3.76Å; W22-L29 HydrophobicContact CG-CB 4.3Å; W22-L29 HydrophobicContact CG-CD2 4.3Å; W22-V30 CarbonylContact C-O 3.54Å; W22-V30 VanDerWaalsContact CA-O 3.26Å; W22-V30 WeakPolarHBondContact CA-O 3.08Å; W22-Y46 CarbonylContact O-C 3.59Å; W22-Y46 VanDerWaalsContact O-CA 3.23Å; W22-Y46 WeakPolarHBondContact O-CA 3.4Å; W22-Y46 WeakPolarHBondContact O-CB 3.49Å; W22-L47 HydrophobicContact CB-CB 4.46Å; W22-L47 PolarHBondContact N-O 2.89Å; W22-L47 PolarHBondContact O-N 3.19Å; W22-L49 HydrophobicContact CH2-CB 4.18Å; W22-L49 HydrophobicContact CH2-CD2 4.37Å; W22-L49 HydrophobicContact CZ3-CB 3.72Å; W22-M85 HydrophobicContact CZ3-CE 4.27Å; W22-M85 HydrophobicContact CZ3-SD 4.44Å |
| 23 | R | 94.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 4% | 0.038 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 139 | 169.2 | -175.3 | 173.5 | 173.8 | -153 | 13.5 | 108 | E25 V30 V32 D44 Y46 L126 N127 | R23-E25 HydrophobicContact CB-CG 4.28Å; R23-E25 VanDerWaalsContact CD-OE1 3.3Å; R23-E25 WeakPolarHBondContact CD-OE1 3.39Å; R23-E25 HydrophobicContact CG-CG 3.88Å; R23-E25 IonicContact CZ-OE1 3.73Å; R23-E25 IonicContact NE-OE1 2.79Å; R23-E25 IonicContact NH1-OE1 3.25Å; R23-E25 PolarHBondContact NH1-OE1 2.91Å; R23-E25 PolarHBondContact O-N 3.05Å; R23-V30 PolarHBondContact N-O 3.2Å; R23-V30 PolarHBondContact O-N 3.41Å; R23-V32 HydrophobicContact CB-CG2 3.92Å; R23-D44 IonicContact CZ-OD2 2.77Å; R23-D44 IonicContact NE-OD2 2.95Å; R23-D44 PolarHBondContact NE-OD2 3.4Å; R23-D44 IonicContact NH2-OD1 3.84Å; R23-D44 IonicContact NH2-OD2 3.45Å; R23-D44 PolarHBondContact NH2-OD2 3Å; R23-Y46 HydrophobicContact CB-CD1 3.85Å; R23-Y46 HydrophobicContact CB-CE1 3.61Å; R23-Y46 WeakPolarHBondContact CD-OH 3.5Å; R23-Y46 HydrophobicContact CG-CD1 4.18Å; R23-Y46 HydrophobicContact CG-CE1 3.66Å; R23-Y46 HydrophobicContact CG-CE2 4.43Å; R23-L126 PolarHBondContact NH2-O 3.41Å; R23-N127 PolarHBondContact NH1-OD1 3.13Å |
| 24 | I | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 111.9 | 171.4 | -54.3 | -47.9 | 0 | 0 | 0 | 107.4 | E28 L29 A45 E74 A77 A78 F81 | I24-E28 WeakPolarHBondContact CA-O 3.37Å; I24-L29 HydrophobicContact CD1-CD2 3.42Å; I24-L29 VanDerWaalsContact CD1-CD2 3.42Å; I24-L29 HydrophobicContact CD1-CG 4.41Å; I24-A45 HydrophobicContact CB-CB 4.4Å; I24-A45 HydrophobicContact CG1-CB 4.05Å; I24-A45 PolarHBondContact N-O 3.05Å; I24-E74 HydrophobicContact CG2-CB 4.47Å; I24-E74 HydrophobicContact CG2-CG 4.41Å; I24-A77 HydrophobicContact CG2-CB 3.94Å; I24-A78 HydrophobicContact CG1-CB 3.96Å; I24-F81 HydrophobicContact CD1-CD2 3.73Å; I24-F81 HydrophobicContact CD1-CE2 4.2Å |
| 25 | E | 89.4 | Confident | 89.5 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.7 | 175.8 | -53.1 | -166.1 | 172.6 | 0 | 0 | 109.3 | R23 L27 E28 V30 V122 | R23-E25 HydrophobicContact CB-CG 4.28Å; R23-E25 VanDerWaalsContact CD-OE1 3.3Å; R23-E25 WeakPolarHBondContact CD-OE1 3.39Å; R23-E25 HydrophobicContact CG-CG 3.88Å; R23-E25 IonicContact CZ-OE1 3.73Å; R23-E25 IonicContact NE-OE1 2.79Å; R23-E25 IonicContact NH1-OE1 3.25Å; R23-E25 PolarHBondContact NH1-OE1 2.91Å; R23-E25 PolarHBondContact O-N 3.05Å; E25-L27 PolarHBondContact O-N 2.85Å; E25-E28 PolarHBondContact N-O 2.88Å; E25-E28 PolarHBondContact O-N 2.88Å; E25-V30 HydrophobicContact CB-CG2 3.76Å; E25-V30 HydrophobicContact CG-CB 4.07Å; E25-V30 HydrophobicContact CG-CG2 3.87Å; E25-V122 HydrophobicContact CB-CG2 4.07Å; E25-V122 HydrophobicContact CG-CG2 3.72Å |
| 26 | K | 86.4 | Confident | 88.5 | Confident | 178 Ų | 178 | 62.2 Ų | 62.2 | 77% | 0.774 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.5 | 179.9 | -56.7 | 177.4 | -178.3 | 174.7 | 0 | 112.9 | E28 V122 | K26-E28 VanDerWaalsContact C-N 3.29Å; K26-E28 PolarHBondContact O-N 3.47Å; K26-V122 HydrophobicContact CG-CG1 4.37Å |
| 27 | L | 85.2 | Confident | 88.2 | Confident | 94 Ų | 94 | 57 Ų | 57 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 20.3 | -179.5 | -46.4 | 174.5 | 0 | 0 | 0 | 115.1 | E25 D73 A77 F81 | E25-L27 PolarHBondContact O-N 2.85Å; L27-D73 HydrophobicContact CD2-CB 4.33Å; L27-A77 HydrophobicContact CD2-CB 3.69Å; L27-F81 WeakPolarHBondContact O-CE2 3.49Å; L27-F81 WeakPolarHBondContact O-CZ 3.31Å |
| 28 | E | 90.3 | Very high | 86.9 | Confident | 108 Ų | 108 | 54 Ų | 54 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 156.6 | 174.5 | -66.1 | -67.5 | 163.7 | 0 | 0 | 111.4 | H7 I24 E25 K26 | H7-E28 IonicContact CD2-OE2 2.95Å; H7-E28 PolarHBondContact CD2-OE2 3.34Å; H7-E28 IonicContact NE2-OE2 2.82Å; H7-E28 PolarHBondContact NE2-OE2 3.44Å; I24-E28 WeakPolarHBondContact CA-O 3.37Å; E25-E28 PolarHBondContact N-O 2.88Å; E25-E28 PolarHBondContact O-N 2.88Å; K26-E28 VanDerWaalsContact C-N 3.29Å; K26-E28 PolarHBondContact O-N 3.47Å |
| 29 | L | 92.3 | Very high | 86.1 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.9 | 174.7 | -69.9 | 166.8 | 0 | 0 | 0 | 111.1 | H7 E9 F10 W22 I24 L47 F81 | H7-L29 PolarHBondContact NE2-N 3.13Å; E9-L29 HydrophobicContact CB-CB 4.49Å; E9-L29 HydrophobicContact CG-CB 4.45Å; F10-L29 HydrophobicContact CD1-CD1 4.2Å; F10-L29 HydrophobicContact CE1-CD1 3.56Å; F10-L29 HydrophobicContact CZ-CD1 4.5Å; W22-L29 HydrophobicContact CB-CB 4.25Å; W22-L29 HydrophobicContact CB-CD2 3.76Å; W22-L29 HydrophobicContact CG-CB 4.3Å; W22-L29 HydrophobicContact CG-CD2 4.3Å; I24-L29 HydrophobicContact CD1-CD2 3.42Å; I24-L29 VanDerWaalsContact CD1-CD2 3.42Å; I24-L29 HydrophobicContact CD1-CG 4.41Å; L29-L47 HydrophobicContact CD1-CD2 4.11Å; L29-L47 HydrophobicContact CD2-CB 3.95Å; L29-L47 HydrophobicContact CD2-CD2 3.54Å; L29-L47 HydrophobicContact CD2-CG 4.43Å; L29-L47 HydrophobicContact CG-CD2 4.49Å; L29-F81 HydrophobicContact CD1-CB 4.26Å; L29-F81 HydrophobicContact CD1-CD1 3.77Å; L29-F81 HydrophobicContact CD1-CD2 4.49Å; L29-F81 HydrophobicContact CD1-CE1 4.18Å; L29-F81 HydrophobicContact CD1-CG 3.95Å; L29-F81 HydrophobicContact CD2-CB 4.3Å; L29-F81 HydrophobicContact CD2-CD2 4.03Å; L29-F81 HydrophobicContact CD2-CG 4.13Å; L29-F81 HydrophobicContact CG-CB 4.48Å; L29-F81 HydrophobicContact CG-CD1 4.04Å; L29-F81 HydrophobicContact CG-CD2 3.95Å; L29-F81 HydrophobicContact CG-CE1 4.19Å; L29-F81 HydrophobicContact CG-CE2 4.1Å; L29-F81 HydrophobicContact CG-CG 3.92Å; L29-F81 HydrophobicContact CG-CZ 4.22Å |
| 30 | V | 93.4 | Very high | 85.4 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.9 | 177.3 | -177 | 0 | 0 | 0 | 0 | 110 | W22 R23 E25 V32 | W22-V30 CarbonylContact C-O 3.54Å; W22-V30 VanDerWaalsContact CA-O 3.26Å; W22-V30 WeakPolarHBondContact CA-O 3.08Å; R23-V30 PolarHBondContact N-O 3.2Å; R23-V30 PolarHBondContact O-N 3.41Å; E25-V30 HydrophobicContact CB-CG2 3.76Å; E25-V30 HydrophobicContact CG-CB 4.07Å; E25-V30 HydrophobicContact CG-CG2 3.87Å; V30-V32 PolarHBondContact O-N 3Å |
| 31 | P | 92.8 | Very high | 84.6 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 42% | 0.422 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 131.1 | 179.6 | -24.5 | 34.2 | 0 | 0 | 0 | 112.7 | E9 | E9-P31 HydrophobicContact CG-CG 4.36Å; E9-P31 WeakPolarHBondContact OE2-CG 3.47Å |
| 32 | V | 88.7 | Confident | 83.6 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 127.8 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 109 | V21 R23 V30 A36 H37 Y46 | V21-V32 HydrophobicContact CB-CB 4.1Å; V21-V32 HydrophobicContact CB-CG2 4.44Å; V21-V32 HydrophobicContact CG1-CB 3.88Å; V21-V32 HydrophobicContact CG1-CG1 4.47Å; V21-V32 HydrophobicContact CG1-CG2 3.77Å; V21-V32 PolarHBondContact O-N 3.2Å; R23-V32 HydrophobicContact CB-CG2 3.92Å; V30-V32 PolarHBondContact O-N 3Å; V32-A36 HydrophobicContact CG1-CB 3.98Å; V32-H37 PolarHBondContact O-NE2 2.8Å; V32-Y46 HydrophobicContact CG2-CD1 4.19Å; V32-Y46 HydrophobicContact CG2-CE1 4.08Å |
| 33 | P | 81.3 | Confident | 82.9 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 141.1 | 176.2 | -25 | 33.6 | 0 | 0 | 0 | 111.8 | S35 A36 H37 | P33-S35 PolarHBondContact O-N 2.7Å; P33-S35 VanDerWaalsContact O-N 3.13Å; P33-A36 WeakPolarHBondContact O-CA 3.42Å; P33-A36 PolarHBondContact O-N 3.41Å; P33-H37 PolarHBondContact O-CD2 2.99Å; P33-H37 VanDerWaalsContact O-CD2 3.26Å; P33-H37 PolarHBondContact O-N 3.28Å |
| 34 | Q | 80.7 | Confident | 82.7 | Confident | 166 Ų | 166 | 49.2 Ų | 49.2 | 78% | 0.776 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -57.3 | -33.4 | -176.5 | -167.1 | 176.3 | 10 | 0 | 0 | 113.3 | A36 H37 | Q34-A36 PolarHBondContact O-N 3.15Å; Q34-H37 WeakPolarHBondContact O-CB 3.34Å; Q34-H37 PolarHBondContact O-N 2.65Å |
| 35 | S | 72.4 | Confident | 82.8 | Confident | 120 Ų | 120 | 49.2 Ų | 49.2 | 84% | 0.839 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65.6 | -16.9 | 175.5 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | P33 | P33-S35 PolarHBondContact O-N 2.7Å; P33-S35 VanDerWaalsContact O-N 3.13Å |
| 36 | A | 68.4 | Low | 83.1 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -109 | 6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V32 P33 Q34 G38 D39 H128 | V32-A36 HydrophobicContact CG1-CB 3.98Å; P33-A36 WeakPolarHBondContact O-CA 3.42Å; P33-A36 PolarHBondContact O-N 3.41Å; Q34-A36 PolarHBondContact O-N 3.15Å; A36-G38 PolarHBondContact O-N 2.67Å; A36-D39 WeakPolarHBondContact O-CB 3.34Å; A36-D39 PolarHBondContact O-N 3.37Å; A36-H128 WeakPolarHBondContact CB-NE2 3.44Å |
| 37 | H | 82 | Confident | 83.6 | Confident | 43 Ų | 43 | 38.2 Ų | 38.2 | 20% | 0.199 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 128.8 | 170.9 | -71.6 | -173.1 | 0 | 0 | 0 | 109.4 | V32 P33 Q34 F111 | V32-H37 PolarHBondContact O-NE2 2.8Å; P33-H37 PolarHBondContact O-CD2 2.99Å; P33-H37 VanDerWaalsContact O-CD2 3.26Å; P33-H37 PolarHBondContact O-N 3.28Å; Q34-H37 WeakPolarHBondContact O-CB 3.34Å; Q34-H37 PolarHBondContact O-N 2.65Å; H37-F111 HydrophobicContact CB-CD1 4.38Å; H37-F111 HydrophobicContact CB-CE1 4.21Å |
| 38 | G | 62.7 | Low | 84.2 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | -11.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | A36 F111 L115 K116 | A36-G38 PolarHBondContact O-N 2.67Å; G38-F111 VanDerWaalsContact N-CD1 3.26Å; G38-L115 CarbonylContact O-C 3.5Å; G38-L115 WeakPolarHBondContact O-CA 3.12Å; G38-K116 PolarHBondContact O-N 3.07Å |
| 39 | D | 72.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 114.4 | 174.5 | -68 | -11.5 | 0 | 0 | 0 | 110.4 | A36 K116 K118 H128 | A36-D39 WeakPolarHBondContact O-CB 3.34Å; A36-D39 PolarHBondContact O-N 3.37Å; D39-K116 WeakPolarHBondContact OD1-CB 3.46Å; D39-K116 VanDerWaalsContact OD1-CD 3.23Å; D39-K116 WeakPolarHBondContact OD1-CD 3.4Å; D39-K116 WeakPolarHBondContact OD1-CG 3.37Å; D39-K116 IonicContact OD1-NZ 2.81Å; D39-K116 PolarHBondContact OD1-NZ 3.29Å; D39-K116 IonicContact OD2-NZ 2.73Å; D39-K118 HydrophobicContact CB-CD 4.17Å; D39-K118 VanDerWaalsContact CG-CE 3.47Å; D39-K118 VanDerWaalsContact CG-NZ 3.27Å; D39-K118 VanDerWaalsContact OD2-CE 3.26Å; D39-K118 WeakPolarHBondContact OD2-CE 3.34Å; D39-K118 IonicContact OD2-NZ 2.87Å; D39-K118 PolarHBondContact OD2-NZ 3.24Å; D39-H128 VanDerWaalsContact CB-CE1 3.46Å; D39-H128 WeakPolarHBondContact CB-CE1 3.43Å |
| 40 | F | 78.5 | Confident | 84.5 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.5 | -177 | -69.6 | -93.2 | 0 | 0 | 0 | 111 | Y46 V48 W65 F107 F111 L115 K116 Y117 K118 | F40-Y46 HydrophobicContact CB-CE2 4.33Å; F40-Y46 AromaticContact CD1-CD1 3.9Å; F40-Y46 HydrophobicContact CD1-CD1 3.9Å; F40-Y46 AromaticContact CD1-CD2 3.52Å; F40-Y46 HydrophobicContact CD1-CD2 3.52Å; F40-Y46 HydrophobicContact CD1-CE1 4.21Å; F40-Y46 AromaticContact CD1-CE2 3.87Å; F40-Y46 HydrophobicContact CD1-CE2 3.87Å; F40-Y46 AromaticContact CD1-CG 3.55Å; F40-Y46 HydrophobicContact CD1-CG 3.55Å; F40-Y46 AromaticContact CE1-CD1 3.94Å; F40-Y46 HydrophobicContact CE1-CD1 3.94Å; F40-Y46 HydrophobicContact CE1-CD2 4.13Å; F40-Y46 AromaticContact CE1-CG 3.68Å; F40-Y46 HydrophobicContact CE1-CG 3.68Å; F40-V48 HydrophobicContact CE1-CG2 4.33Å; F40-V48 HydrophobicContact CZ-CG2 4.3Å; F40-W65 HydrophobicContact CB-CD2 4.39Å; F40-W65 HydrophobicContact CB-CE3 4.24Å; F40-W65 HydrophobicContact CB-CH2 3.64Å; F40-W65 HydrophobicContact CB-CZ2 3.81Å; F40-W65 HydrophobicContact CB-CZ3 3.87Å; F40-W65 HydrophobicContact CD1-CB 4.47Å; F40-W65 AromaticContact CD1-CD2 3.74Å; F40-W65 HydrophobicContact CD1-CD2 3.74Å; F40-W65 AromaticContact CD1-CE3 3.76Å; F40-W65 HydrophobicContact CD1-CE3 3.76Å; F40-W65 HydrophobicContact CD1-CG 4.09Å; F40-W65 HydrophobicContact CD1-CZ3 4.21Å; F40-W65 HydrophobicContact CE1-CB 4.27Å; F40-W65 HydrophobicContact CE1-CD2 4.38Å; F40-W65 HydrophobicContact CE1-CG 4.26Å; F40-W65 HydrophobicContact CG-CD2 4.24Å; F40-W65 HydrophobicContact CG-CE3 4.36Å; F40-W65 HydrophobicContact CG-CH2 4.48Å; F40-W65 HydrophobicContact CG-CZ2 4.38Å; F40-W65 HydrophobicContact CG-CZ3 4.47Å; F40-F107 AromaticContact CE1-CZ 3.99Å; F40-F107 HydrophobicContact CE1-CZ 3.99Å; F40-F107 HydrophobicContact CE2-CE1 4.46Å; F40-F107 HydrophobicContact CE2-CZ 4.23Å; F40-F107 HydrophobicContact CZ-CE1 4.27Å; F40-F107 AromaticContact CZ-CZ 3.61Å; F40-F107 HydrophobicContact CZ-CZ 3.61Å; F40-F111 HydrophobicContact CE2-CE1 4.2Å; F40-F111 HydrophobicContact CE2-CE2 4.12Å; F40-F111 AromaticContact CE2-CZ 3.87Å; F40-F111 HydrophobicContact CE2-CZ 3.87Å; F40-F111 HydrophobicContact CZ-CE1 4.29Å; F40-F111 HydrophobicContact CZ-CE2 4.16Å; F40-F111 AromaticContact CZ-CZ 3.7Å; F40-F111 HydrophobicContact CZ-CZ 3.7Å; F40-L115 HydrophobicContact CD2-CD2 3.56Å; F40-L115 HydrophobicContact CE2-CD2 3.29Å; F40-L115 HydrophobicContact CZ-CD2 4.32Å; F40-K116 PolarHBondContact N-O 2.82Å; F40-Y117 HydrophobicContact CB-CD1 4.49Å; F40-Y117 CarbonylContact O-C 3.55Å; F40-Y117 VanDerWaalsContact O-CA 3.31Å; F40-Y117 WeakPolarHBondContact O-CA 3.49Å; F40-K118 PolarHBondContact O-N 3.02Å |
| 41 | Y | 78.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.7 | 175.4 | -83.7 | -75.9 | 0 | 0 | 0 | 111.6 | G43 D44 Y46 W65 K118 A119 G120 L126 N127 H128 V129 | Y41-G43 PolarHBondContact O-N 3.11Å; Y41-D44 WeakPolarHBondContact CB-OD2 3.47Å; Y41-D44 PolarHBondContact O-N 3.22Å; Y41-Y46 WeakPolarHBondContact CB-OH 3.38Å; Y41-Y46 WeakPolarHBondContact CD2-OH 3.31Å; Y41-Y46 PolarHBondContact N-OH 2.89Å; Y41-Y46 VanDerWaalsContact N-OH 3.08Å; Y41-W65 VanDerWaalsContact O-CZ3 3.27Å; Y41-W65 WeakPolarHBondContact O-CZ3 3.44Å; Y41-K118 CarbonylContact C-O 3.58Å; Y41-K118 WeakPolarHBondContact CA-O 3.42Å; Y41-K118 HydrophobicContact CD1-CB 3.57Å; Y41-K118 WeakPolarHBondContact CD1-O 3.14Å; Y41-K118 HydrophobicContact CE1-CB 3.59Å; Y41-K118 HydrophobicContact CE1-CD 4.32Å; Y41-K118 HydrophobicContact CE2-CD 4.32Å; Y41-K118 HydrophobicContact CG-CB 4.17Å; Y41-A119 WeakPolarHBondContact CD1-O 3.27Å; Y41-A119 WeakPolarHBondContact CE1-O 3.2Å; Y41-G120 WeakPolarHBondContact CB-O 3.44Å; Y41-G120 WeakPolarHBondContact CD1-O 3.47Å; Y41-L126 HydrophobicContact CE1-CB 4.29Å; Y41-N127 PolarHBondContact OH-O 3.23Å; Y41-N127 VanDerWaalsContact OH-O 3.13Å; Y41-H128 AromaticContact CE2-CE1 3.97Å; Y41-H128 AromaticContact CE2-ND1 3.51Å; Y41-H128 WeakPolarHBondContact OH-CA 3.29Å; Y41-H128 PolarHBondContact OH-N 2.89Å; Y41-V129 PolarHBondContact OH-N 3Å |
| 42 | V | 73.9 | Confident | 83.8 | Confident | 14 Ų | 14 | 26.3 Ų | 26.3 | 9% | 0.085 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.3 | -178.2 | 176.6 | 0 | 0 | 0 | 0 | 112 | G67 K68 E69 C70 K118 | V42-G67 CarbonylContact O-C 3.47Å; V42-G67 WeakPolarHBondContact O-CA 3.28Å; V42-K68 HydrophobicContact CG1-CB 3.99Å; V42-K68 PolarHBondContact O-N 2.92Å; V42-K68 VanDerWaalsContact O-N 3.13Å; V42-E69 HydrophobicContact CG1-CB 4Å; V42-E69 HydrophobicContact CG1-CG 3.75Å; V42-E69 CarbonylContact O-C 3.58Å; V42-E69 WeakPolarHBondContact O-CA 3.37Å; V42-E69 PolarHBondContact O-N 3.46Å; V42-C70 PolarHBondContact O-N 3.05Å; V42-K118 WeakPolarHBondContact CG2-O 3.39Å; V42-K118 PolarHBondContact N-O 3.07Å |
| 43 | G | 82.5 | Confident | 83.1 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 5.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y41 C70 G120 | Y41-G43 PolarHBondContact O-N 3.11Å; G43-C70 WeakPolarHBondContact O-CA 3.35Å; G43-G120 WeakPolarHBondContact CA-O 3.43Å; G43-G120 PolarHBondContact N-O 3.05Å |
| 44 | D | 90.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -128 | 170.4 | -172 | -60 | -28.9 | 0 | 0 | 0 | 113.5 | R23 Y41 Y46 G67 C70 G121 V122 | R23-D44 IonicContact CZ-OD2 2.77Å; R23-D44 IonicContact NE-OD2 2.95Å; R23-D44 PolarHBondContact NE-OD2 3.4Å; R23-D44 IonicContact NH2-OD1 3.84Å; R23-D44 IonicContact NH2-OD2 3.45Å; R23-D44 PolarHBondContact NH2-OD2 3Å; Y41-D44 WeakPolarHBondContact CB-OD2 3.47Å; Y41-D44 PolarHBondContact O-N 3.22Å; D44-Y46 HydrophobicContact CB-CD2 4.47Å; D44-Y46 HydrophobicContact CB-CE2 3.75Å; D44-G67 PolarHBondContact O-N 3.33Å; D44-C70 VanDerWaalsContact C-SG 3.59Å; D44-G121 VanDerWaalsContact CG-CA 3.47Å; D44-G121 WeakPolarHBondContact OD1-CA 3.5Å; D44-G121 VanDerWaalsContact OD2-CA 3.3Å; D44-G121 WeakPolarHBondContact OD2-CA 3.47Å; D44-V122 PolarHBondContact OD1-N 3.4Å | ||
| 45 | A | 95.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 152.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I24 W65 L66 E74 A78 | I24-A45 HydrophobicContact CB-CB 4.4Å; I24-A45 HydrophobicContact CG1-CB 4.05Å; I24-A45 PolarHBondContact N-O 3.05Å; A45-W65 CarbonylContact C-O 3.49Å; A45-W65 VanDerWaalsContact CA-O 3.28Å; A45-W65 WeakPolarHBondContact CA-O 3.35Å; A45-L66 HydrophobicContact CB-CD2 3.75Å; A45-E74 HydrophobicContact CB-CB 4.33Å; A45-A78 HydrophobicContact CB-CB 3.7Å |
| 46 | Y | 96.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 155.7 | -178.5 | -65.6 | -107 | 0 | 0 | 0 | 110.9 | V21 W22 R23 V32 F40 Y41 D44 F64 W65 | V21-Y46 HydrophobicContact CG1-CD1 4.23Å; W22-Y46 CarbonylContact O-C 3.59Å; W22-Y46 VanDerWaalsContact O-CA 3.23Å; W22-Y46 WeakPolarHBondContact O-CA 3.4Å; W22-Y46 WeakPolarHBondContact O-CB 3.49Å; R23-Y46 HydrophobicContact CB-CD1 3.85Å; R23-Y46 HydrophobicContact CB-CE1 3.61Å; R23-Y46 WeakPolarHBondContact CD-OH 3.5Å; R23-Y46 HydrophobicContact CG-CD1 4.18Å; R23-Y46 HydrophobicContact CG-CE1 3.66Å; R23-Y46 HydrophobicContact CG-CE2 4.43Å; V32-Y46 HydrophobicContact CG2-CD1 4.19Å; V32-Y46 HydrophobicContact CG2-CE1 4.08Å; F40-Y46 HydrophobicContact CB-CE2 4.33Å; F40-Y46 AromaticContact CD1-CD1 3.9Å; F40-Y46 HydrophobicContact CD1-CD1 3.9Å; F40-Y46 AromaticContact CD1-CD2 3.52Å; F40-Y46 HydrophobicContact CD1-CD2 3.52Å; F40-Y46 HydrophobicContact CD1-CE1 4.21Å; F40-Y46 AromaticContact CD1-CE2 3.87Å; F40-Y46 HydrophobicContact CD1-CE2 3.87Å; F40-Y46 AromaticContact CD1-CG 3.55Å; F40-Y46 HydrophobicContact CD1-CG 3.55Å; F40-Y46 AromaticContact CE1-CD1 3.94Å; F40-Y46 HydrophobicContact CE1-CD1 3.94Å; F40-Y46 HydrophobicContact CE1-CD2 4.13Å; F40-Y46 AromaticContact CE1-CG 3.68Å; F40-Y46 HydrophobicContact CE1-CG 3.68Å; Y41-Y46 WeakPolarHBondContact CB-OH 3.38Å; Y41-Y46 WeakPolarHBondContact CD2-OH 3.31Å; Y41-Y46 PolarHBondContact N-OH 2.89Å; Y41-Y46 VanDerWaalsContact N-OH 3.08Å; D44-Y46 HydrophobicContact CB-CD2 4.47Å; D44-Y46 HydrophobicContact CB-CE2 3.75Å; Y46-F64 CarbonylContact O-C 3.6Å; Y46-F64 WeakPolarHBondContact O-CA 3.37Å; Y46-W65 AromaticContact CD2-CE3 3.6Å; Y46-W65 HydrophobicContact CD2-CE3 3.6Å; Y46-W65 AromaticContact CD2-CZ3 3.93Å; Y46-W65 HydrophobicContact CD2-CZ3 3.93Å; Y46-W65 HydrophobicContact CE2-CE3 4.14Å; Y46-W65 AromaticContact CE2-CZ3 3.99Å; Y46-W65 HydrophobicContact CE2-CZ3 3.99Å; Y46-W65 PolarHBondContact N-O 3.19Å; Y46-W65 PolarHBondContact O-N 3.43Å |
| 47 | L | 97.1 | Very high | 79.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.8 | 172.2 | -165.8 | 57.8 | 0 | 0 | 0 | 108.4 | V21 W22 L29 L62 H63 F64 F81 T82 M85 | V21-L47 WeakPolarHBondContact CA-O 3.42Å; W22-L47 HydrophobicContact CB-CB 4.46Å; W22-L47 PolarHBondContact N-O 2.89Å; W22-L47 PolarHBondContact O-N 3.19Å; L29-L47 HydrophobicContact CD1-CD2 4.11Å; L29-L47 HydrophobicContact CD2-CB 3.95Å; L29-L47 HydrophobicContact CD2-CD2 3.54Å; L29-L47 HydrophobicContact CD2-CG 4.43Å; L29-L47 HydrophobicContact CG-CD2 4.49Å; L47-L62 HydrophobicContact CD1-CD1 3.88Å; L47-L62 HydrophobicContact CD1-CG 4.27Å; L47-L62 HydrophobicContact CG-CD1 4.14Å; L47-H63 CarbonylContact C-O 3.52Å; L47-H63 WeakPolarHBondContact CA-O 3.46Å; L47-F64 HydrophobicContact CD1-CB 4.09Å; L47-F81 HydrophobicContact CD2-CB 3.64Å; L47-T82 WeakPolarHBondContact CD1-OG1 3.38Å; L47-M85 HydrophobicContact CD1-CE 4.31Å; L47-M85 HydrophobicContact CD2-CE 3.05Å; L47-M85 HydrophobicContact CG-CE 3.56Å |
| 48 | V | 96.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.7 | -174 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L19 Q20 V21 F40 L62 H63 F107 F111 | L19-V48 HydrophobicContact CD1-CG1 3.6Å; L19-V48 HydrophobicContact CG-CG1 4.35Å; Q20-V48 CarbonylContact O-C 3.52Å; Q20-V48 WeakPolarHBondContact O-CA 3.45Å; V21-V48 HydrophobicContact CB-CG2 4.5Å; V21-V48 HydrophobicContact CG1-CG2 4.08Å; V21-V48 HydrophobicContact CG2-CG1 4.16Å; V21-V48 HydrophobicContact CG2-CG2 4.18Å; F40-V48 HydrophobicContact CE1-CG2 4.33Å; F40-V48 HydrophobicContact CZ-CG2 4.3Å; V48-L62 CarbonylContact O-C 3.57Å; V48-H63 HydrophobicContact CB-CB 4.24Å; V48-H63 PolarHBondContact N-O 3.46Å; V48-H63 PolarHBondContact O-N 3.18Å; V48-F107 HydrophobicContact CB-CE2 3.96Å; V48-F107 HydrophobicContact CG1-CE2 4.23Å; V48-F107 HydrophobicContact CG2-CE2 3.72Å; V48-F107 HydrophobicContact CG2-CZ 4.25Å; V48-F111 HydrophobicContact CG1-CZ 4.39Å |
| 49 | L | 96.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.5 | 177 | 177.4 | 64.9 | 0 | 0 | 0 | 109.5 | A13 Q20 W22 Y60 R61 L62 M85 L89 | A13-L49 HydrophobicContact CB-CD2 3.89Å; Q20-L49 PolarHBondContact N-O 3.09Å; Q20-L49 PolarHBondContact O-N 3.09Å; W22-L49 HydrophobicContact CH2-CB 4.18Å; W22-L49 HydrophobicContact CH2-CD2 4.37Å; W22-L49 HydrophobicContact CZ3-CB 3.72Å; L49-Y60 HydrophobicContact CD1-CD1 4.17Å; L49-Y60 HydrophobicContact CD1-CG 4.43Å; L49-R61 WeakPolarHBondContact CA-O 3.28Å; L49-L62 HydrophobicContact CB-CD1 4.06Å; L49-L62 HydrophobicContact CD1-CB 4.39Å; L49-L62 HydrophobicContact CD1-CD1 4.12Å; L49-M85 HydrophobicContact CD2-SD 4.04Å; L49-L89 HydrophobicContact CD1-CD1 4.17Å; L49-L89 HydrophobicContact CD2-CD1 4.21Å |
| 50 | H | 93.8 | Very high | 81.1 | Confident | 48 Ų | 48 | 36.4 Ų | 36.4 | 22% | 0.222 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.2 | 166.8 | 177.9 | -85.5 | 0 | 0 | 0 | 109.7 | L19 R61 Y110 | L19-H50 HydrophobicContact CD1-CB 3.98Å; H50-R61 HydrophobicContact CB-CB 4.39Å; H50-R61 PolarHBondContact N-O 3.23Å; H50-R61 PolarHBondContact O-N 3.04Å; H50-Y110 HydrophobicContact CB-CD1 4.46Å; H50-Y110 HydrophobicContact CB-CE1 3.98Å; H50-Y110 HydrophobicContact CB-CE2 4.02Å; H50-Y110 AromaticContact CD2-CD1 3.85Å; H50-Y110 AromaticContact CD2-CE1 3.86Å; H50-Y110 AromaticContact CG-CE1 3.76Å |
| 51 | T | 92.6 | Very high | 81.5 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.8 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | G14 Q16 A17 G18 F58 T59 Y60 | G14-T51 WeakPolarHBondContact CA-OG1 3.13Å; Q16-T51 WeakPolarHBondContact O-CB 3.46Å; Q16-T51 WeakPolarHBondContact O-CG2 3.35Å; A17-T51 CarbonylContact C-O 3.56Å; A17-T51 VanDerWaalsContact CA-O 3.24Å; A17-T51 WeakPolarHBondContact CA-O 3.47Å; G18-T51 PolarHBondContact N-O 3.23Å; G18-T51 PolarHBondContact O-N 2.59Å; T51-F58 HydrophobicContact CG2-CB 3.81Å; T51-F58 HydrophobicContact CG2-CD1 3.44Å; T51-F58 VanDerWaalsContact CG2-CD1 3.44Å; T51-F58 HydrophobicContact CG2-CE1 4.17Å; T51-F58 HydrophobicContact CG2-CG 3.78Å; T51-T59 WeakPolarHBondContact CA-O 3.28Å; T51-Y60 HydrophobicContact CG2-CD1 3.88Å; T51-Y60 HydrophobicContact CG2-CE1 3.69Å |
| 52 | A | 79.1 | Confident | 82.4 | Confident | 29 Ų | 29 | 40 Ų | 40 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F58 T59 | A52-F58 WeakPolarHBondContact O-CA 3.28Å; A52-T59 PolarHBondContact N-O 3.03Å; A52-T59 PolarHBondContact O-N 3.32Å; A52-T59 PolarHBondContact O-OG1 2.7Å |
| 53 | K | 73.9 | Confident | 83.4 | Confident | 162 Ų | 162 | 39.4 Ų | 39.4 | 70% | 0.704 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.9 | 175.6 | -169.4 | 174.4 | -177.6 | 179.6 | 0 | 109.8 | A17 F58 | A17-K53 HydrophobicContact CB-CB 4.09Å; K53-F58 HydrophobicContact CB-CD1 4.05Å; K53-F58 HydrophobicContact CB-CE1 3.84Å; K53-F58 HydrophobicContact CD-CE1 4.3Å; K53-F58 HydrophobicContact CG-CD1 4.31Å; K53-F58 HydrophobicContact CG-CE1 3.94Å |
| 54 | T | 60.7 | Low | 84 | Confident | 59 Ų | 59 | 39 Ų | 39 | 36% | 0.362 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 172.2 | 176.1 | 70 | 0 | 0 | 0 | 0 | 110.2 | R56 G57 T59 | T54-R56 PolarHBondContact O-N 3.42Å; T54-G57 CarbonylContact C-O 3.55Å; T54-G57 WeakPolarHBondContact CA-O 3.44Å; T54-G57 PolarHBondContact N-O 3.24Å; T54-G57 PolarHBondContact O-N 3.39Å; T54-G57 VanDerWaalsContact O-O 3.05Å; T54-G57 PolarHBondContact OG1-O 3.29Å; T54-T59 HydrophobicContact CG2-CG2 3.64Å |
| 55 | S | 45.3 | Very low | 84.2 | Confident | 89 Ų | 89 | 39 Ų | 39 | 62% | 0.622 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.5 | 178.9 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 56 | R | 45.3 | Very low | 84.1 | Confident | 157 Ų | 157 | 39.8 Ų | 39.8 | 59% | 0.592 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 10.4 | -178.5 | -62.1 | -174.8 | -177.7 | 176.5 | 2.6 | 113.7 | T54 D351 E363 | T54-R56 PolarHBondContact O-N 3.42Å; R56-D351 IonicContact NH1-OD2 3.32Å; R56-E363 IonicContact NE-OE2 3.89Å; R56-E363 IonicContact NH2-OE2 3.11Å |
| 57 | G | 71.7 | Confident | 83.4 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.1 | -148.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T54 | T54-G57 CarbonylContact C-O 3.55Å; T54-G57 WeakPolarHBondContact CA-O 3.44Å; T54-G57 PolarHBondContact N-O 3.24Å; T54-G57 PolarHBondContact O-N 3.39Å; T54-G57 VanDerWaalsContact O-O 3.05Å; T54-G57 PolarHBondContact OG1-O 3.29Å |
| 58 | F | 80.9 | Confident | 82.5 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 26% | 0.263 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 141.2 | 178.6 | -68.9 | -70.1 | 0 | 0 | 0 | 111.1 | K15 A17 T51 A52 K53 Y60 | K15-F58 WeakPolarHBondContact O-CE2 3.24Å; K15-F58 VanDerWaalsContact O-CZ 3.28Å; K15-F58 WeakPolarHBondContact O-CZ 3.5Å; A17-F58 HydrophobicContact CB-CE1 4.49Å; T51-F58 HydrophobicContact CG2-CB 3.81Å; T51-F58 HydrophobicContact CG2-CD1 3.44Å; T51-F58 VanDerWaalsContact CG2-CD1 3.44Å; T51-F58 HydrophobicContact CG2-CE1 4.17Å; T51-F58 HydrophobicContact CG2-CG 3.78Å; A52-F58 WeakPolarHBondContact O-CA 3.28Å; K53-F58 HydrophobicContact CB-CD1 4.05Å; K53-F58 HydrophobicContact CB-CE1 3.84Å; K53-F58 HydrophobicContact CD-CE1 4.3Å; K53-F58 HydrophobicContact CG-CD1 4.31Å; K53-F58 HydrophobicContact CG-CE1 3.94Å; F58-Y60 HydrophobicContact CB-CD1 4.4Å; F58-Y60 HydrophobicContact CB-CE1 3.55Å; F58-Y60 HydrophobicContact CB-CE2 4.26Å; F58-Y60 VanDerWaalsContact CB-CZ 3.48Å; F58-Y60 WeakPolarHBondContact CB-OH 3.4Å; F58-Y60 HydrophobicContact CG-CE1 4.42Å |
| 59 | T | 82.1 | Confident | 81.9 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 145.6 | 165.3 | 55.3 | 0 | 0 | 0 | 0 | 109.4 | T51 A52 T54 | T51-T59 WeakPolarHBondContact CA-O 3.28Å; A52-T59 PolarHBondContact N-O 3.03Å; A52-T59 PolarHBondContact O-N 3.32Å; A52-T59 PolarHBondContact O-OG1 2.7Å; T54-T59 HydrophobicContact CG2-CG2 3.64Å |
| 60 | Y | 90 | Very high | 81.4 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.9 | -169.1 | -53 | -68.7 | 0 | 0 | 0 | 109.8 | L49 T51 F58 L89 K92 P93 V94 | L49-Y60 HydrophobicContact CD1-CD1 4.17Å; L49-Y60 HydrophobicContact CD1-CG 4.43Å; T51-Y60 HydrophobicContact CG2-CD1 3.88Å; T51-Y60 HydrophobicContact CG2-CE1 3.69Å; F58-Y60 HydrophobicContact CB-CD1 4.4Å; F58-Y60 HydrophobicContact CB-CE1 3.55Å; F58-Y60 HydrophobicContact CB-CE2 4.26Å; F58-Y60 VanDerWaalsContact CB-CZ 3.48Å; F58-Y60 WeakPolarHBondContact CB-OH 3.4Å; F58-Y60 HydrophobicContact CG-CE1 4.42Å; Y60-L89 HydrophobicContact CD1-CD1 4.16Å; Y60-L89 HydrophobicContact CD2-CB 4.28Å; Y60-L89 HydrophobicContact CD2-CD1 4.25Å; Y60-L89 HydrophobicContact CE1-CD1 4.49Å; Y60-L89 HydrophobicContact CE1-CD2 4.26Å; Y60-L89 HydrophobicContact CE2-CB 4.25Å; Y60-L89 HydrophobicContact CE2-CD2 4.24Å; Y60-L89 HydrophobicContact CG-CD1 4.02Å; Y60-K92 HydrophobicContact CD2-CB 4.18Å; Y60-P93 HydrophobicContact CD2-CG 4.2Å; Y60-P93 HydrophobicContact CG-CG 4.25Å; Y60-P93 WeakPolarHBondContact O-CA 3.43Å; Y60-V94 PolarHBondContact O-N 2.9Å |
| 61 | R | 88.9 | Confident | 81 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.5 | 163.3 | -69.5 | -178.7 | 171.4 | 76.2 | -4.3 | 107.5 | L49 H50 V94 D106 Y110 | L49-R61 WeakPolarHBondContact CA-O 3.28Å; H50-R61 HydrophobicContact CB-CB 4.39Å; H50-R61 PolarHBondContact N-O 3.23Å; H50-R61 PolarHBondContact O-N 3.04Å; R61-V94 WeakPolarHBondContact CA-O 3.26Å; R61-D106 IonicContact CZ-OD2 3.49Å; R61-D106 IonicContact NE-OD2 2.83Å; R61-D106 PolarHBondContact NE-OD2 3.1Å; R61-D106 IonicContact NH2-OD2 3.18Å; R61-Y110 WeakPolarHBondContact CD-OH 3.48Å |
| 62 | L | 95.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.3 | -176.5 | -174 | 62.5 | 0 | 0 | 0 | 108.8 | L47 V48 L49 T82 M85 P93 V94 Q95 N96 | L47-L62 HydrophobicContact CD1-CD1 3.88Å; L47-L62 HydrophobicContact CD1-CG 4.27Å; L47-L62 HydrophobicContact CG-CD1 4.14Å; V48-L62 CarbonylContact O-C 3.57Å; L49-L62 HydrophobicContact CB-CD1 4.06Å; L49-L62 HydrophobicContact CD1-CB 4.39Å; L49-L62 HydrophobicContact CD1-CD1 4.12Å; L62-T82 HydrophobicContact CD2-CG2 3.78Å; L62-T82 WeakPolarHBondContact CD2-O 3.48Å; L62-T82 HydrophobicContact CG-CG2 4.05Å; L62-M85 HydrophobicContact CD1-CE 3.71Å; L62-M85 HydrophobicContact CD1-SD 3.84Å; L62-M85 HydrophobicContact CD2-CB 4.01Å; L62-M85 HydrophobicContact CD2-CG 4.34Å; L62-P93 HydrophobicContact CB-CB 3.94Å; L62-V94 PolarHBondContact N-O 3.32Å; L62-Q95 CarbonylContact O-C 3.29Å; L62-Q95 WeakPolarHBondContact O-CA 3.39Å; L62-N96 PolarHBondContact O-N 3.44Å |
| 63 | H | 95.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.5 | -177.5 | -54.4 | -110.3 | 0 | 0 | 0 | 108.3 | L47 V48 N96 E98 F107 Y110 | L47-H63 CarbonylContact C-O 3.52Å; L47-H63 WeakPolarHBondContact CA-O 3.46Å; V48-H63 HydrophobicContact CB-CB 4.24Å; V48-H63 PolarHBondContact N-O 3.46Å; V48-H63 PolarHBondContact O-N 3.18Å; H63-N96 WeakPolarHBondContact CA-O 3.48Å; H63-N96 PolarHBondContact CE1-ND2 2.8Å; H63-N96 WeakPolarHBondContact ND1-CB 3.49Å; H63-N96 PolarHBondContact ND1-ND2 2.83Å; H63-E98 HydrophobicContact CB-CG 3.86Å; H63-E98 IonicContact CE1-OE1 3.03Å; H63-E98 IonicContact CG-OE1 3.91Å; H63-E98 IonicContact ND1-OE1 3.86Å; H63-E98 PolarHBondContact ND1-OE1 2.83Å; H63-F107 HydrophobicContact CB-CD2 3.72Å; H63-F107 HydrophobicContact CB-CE2 4Å; H63-F107 AromaticContact CG-CD2 3.72Å; H63-F107 AromaticContact ND1-CD2 3.72Å; H63-Y110 AromaticContact CD2-CE2 3.77Å; H63-Y110 AromaticContact CE1-CE2 3.88Å; H63-Y110 AromaticContact NE2-CE2 3.32Å; H63-Y110 VanDerWaalsContact NE2-CE2 3.32Å; H63-Y110 WeakPolarHBondContact NE2-CE2 3.49Å; H63-Y110 AromaticContact NE2-CZ 3.53Å; H63-Y110 PolarHBondContact NE2-OH 2.83Å |
| 64 | F | 95.9 | Very high | 81.3 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.4 | 160.9 | 67.3 | -74 | 0 | 0 | 0 | 109.1 | Y46 L47 L66 A78 A79 T82 N96 R97 E98 M310 | Y46-F64 CarbonylContact O-C 3.6Å; Y46-F64 WeakPolarHBondContact O-CA 3.37Å; L47-F64 HydrophobicContact CD1-CB 4.09Å; F64-L66 HydrophobicContact CD2-CD1 4.36Å; F64-L66 HydrophobicContact CD2-CD2 3.92Å; F64-L66 HydrophobicContact CD2-CG 4.04Å; F64-L66 HydrophobicContact CE2-CD1 4Å; F64-L66 HydrophobicContact CE2-CD2 4.34Å; F64-L66 HydrophobicContact CE2-CG 4.18Å; F64-A78 HydrophobicContact CB-CB 4.15Å; F64-A78 HydrophobicContact CD2-CB 4.23Å; F64-A79 HydrophobicContact CE2-CB 4.45Å; F64-T82 WeakPolarHBondContact CB-OG1 3.31Å; F64-T82 HydrophobicContact CD1-CG2 4.13Å; F64-N96 WeakPolarHBondContact CD1-O 3.4Å; F64-N96 PolarHBondContact N-O 2.83Å; F64-N96 VanDerWaalsContact N-O 3.08Å; F64-R97 HydrophobicContact CE1-CB 3.69Å; F64-R97 HydrophobicContact CE1-CG 4.12Å; F64-R97 HydrophobicContact CE2-CB 4.34Å; F64-R97 HydrophobicContact CE2-CG 3.84Å; F64-R97 HydrophobicContact CZ-CB 3.54Å; F64-R97 HydrophobicContact CZ-CG 3.45Å; F64-R97 VanDerWaalsContact CZ-CG 3.45Å; F64-E98 PolarHBondContact O-N 3.35Å; F64-M310 HydrophobicContact CE1-CE 3.67Å; F64-M310 HydrophobicContact CE1-CG 4.35Å; F64-M310 HydrophobicContact CE1-SD 3.97Å; F64-M310 HydrophobicContact CZ-CE 4.36Å; F64-M310 HydrophobicContact CZ-CG 4.22Å; F64-M310 HydrophobicContact CZ-SD 4.05Å |
| 65 | W | 94.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.5 | -177.1 | -178.1 | 98.4 | 0 | 0 | 0 | 109.6 | F40 Y41 A45 Y46 E98 Q100 E103 F107 Y117 | F40-W65 HydrophobicContact CB-CD2 4.39Å; F40-W65 HydrophobicContact CB-CE3 4.24Å; F40-W65 HydrophobicContact CB-CH2 3.64Å; F40-W65 HydrophobicContact CB-CZ2 3.81Å; F40-W65 HydrophobicContact CB-CZ3 3.87Å; F40-W65 HydrophobicContact CD1-CB 4.47Å; F40-W65 AromaticContact CD1-CD2 3.74Å; F40-W65 HydrophobicContact CD1-CD2 3.74Å; F40-W65 AromaticContact CD1-CE3 3.76Å; F40-W65 HydrophobicContact CD1-CE3 3.76Å; F40-W65 HydrophobicContact CD1-CG 4.09Å; F40-W65 HydrophobicContact CD1-CZ3 4.21Å; F40-W65 HydrophobicContact CE1-CB 4.27Å; F40-W65 HydrophobicContact CE1-CD2 4.38Å; F40-W65 HydrophobicContact CE1-CG 4.26Å; F40-W65 HydrophobicContact CG-CD2 4.24Å; F40-W65 HydrophobicContact CG-CE3 4.36Å; F40-W65 HydrophobicContact CG-CH2 4.48Å; F40-W65 HydrophobicContact CG-CZ2 4.38Å; F40-W65 HydrophobicContact CG-CZ3 4.47Å; Y41-W65 VanDerWaalsContact O-CZ3 3.27Å; Y41-W65 WeakPolarHBondContact O-CZ3 3.44Å; A45-W65 CarbonylContact C-O 3.49Å; A45-W65 VanDerWaalsContact CA-O 3.28Å; A45-W65 WeakPolarHBondContact CA-O 3.35Å; Y46-W65 AromaticContact CD2-CE3 3.6Å; Y46-W65 HydrophobicContact CD2-CE3 3.6Å; Y46-W65 AromaticContact CD2-CZ3 3.93Å; Y46-W65 HydrophobicContact CD2-CZ3 3.93Å; Y46-W65 HydrophobicContact CE2-CE3 4.14Å; Y46-W65 AromaticContact CE2-CZ3 3.99Å; Y46-W65 HydrophobicContact CE2-CZ3 3.99Å; Y46-W65 PolarHBondContact N-O 3.19Å; Y46-W65 PolarHBondContact O-N 3.43Å; W65-E98 CarbonylContact C-O 3.58Å; W65-E98 VanDerWaalsContact CA-O 3.28Å; W65-E98 WeakPolarHBondContact CA-O 3.18Å; W65-E98 HydrophobicContact CB-CB 4.11Å; W65-E98 HydrophobicContact CG-CB 4.31Å; W65-Q100 HydrophobicContact CH2-CB 4.08Å; W65-Q100 HydrophobicContact CH2-CG 4.31Å; W65-Q100 HydrophobicContact CZ2-CB 3.49Å; W65-Q100 VanDerWaalsContact CZ2-CB 3.49Å; W65-Q100 HydrophobicContact CZ2-CG 3.75Å; W65-E103 PolarHBondContact NE1-OE1 3.43Å; W65-F107 HydrophobicContact CB-CE2 4.33Å; W65-F107 HydrophobicContact CB-CZ 3.89Å; W65-F107 AromaticContact CD1-CE1 3.59Å; W65-F107 AromaticContact CD1-CZ 3.65Å; W65-F107 HydrophobicContact CG-CE1 4.36Å; W65-F107 AromaticContact CG-CZ 3.99Å; W65-F107 HydrophobicContact CG-CZ 3.99Å; W65-Y117 HydrophobicContact CH2-CD1 4.39Å; W65-Y117 AromaticContact CZ2-CD1 3.77Å; W65-Y117 HydrophobicContact CZ2-CD1 3.77Å; W65-Y117 AromaticContact CZ2-CE1 3.68Å; W65-Y117 HydrophobicContact CZ2-CE1 3.68Å |
| 66 | L | 92.4 | Very high | 84.4 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.7 | -179.4 | -55 | -179.5 | 0 | 0 | 0 | 110.4 | A45 F64 A78 E98 L99 Q100 | A45-L66 HydrophobicContact CB-CD2 3.75Å; F64-L66 HydrophobicContact CD2-CD1 4.36Å; F64-L66 HydrophobicContact CD2-CD2 3.92Å; F64-L66 HydrophobicContact CD2-CG 4.04Å; F64-L66 HydrophobicContact CE2-CD1 4Å; F64-L66 HydrophobicContact CE2-CD2 4.34Å; F64-L66 HydrophobicContact CE2-CG 4.18Å; L66-A78 HydrophobicContact CD2-CB 4.28Å; L66-E98 PolarHBondContact N-O 3.22Å; L66-L99 HydrophobicContact CB-CD2 3.88Å; L66-L99 HydrophobicContact CD1-CD2 3.94Å; L66-L99 HydrophobicContact CG-CD2 4.3Å; L66-Q100 PolarHBondContact O-N 3.47Å |
| 67 | G | 82.5 | Confident | 86.5 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | trans | -67.7 | 151.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V42 D44 E69 C70 | V42-G67 CarbonylContact O-C 3.47Å; V42-G67 WeakPolarHBondContact O-CA 3.28Å; D44-G67 PolarHBondContact O-N 3.33Å; G67-E69 PolarHBondContact O-N 3.12Å; G67-C70 WeakPolarHBondContact O-CB 3.35Å; G67-C70 PolarHBondContact O-N 3.01Å; G67-C70 VanDerWaalsContact O-N 3.09Å | ||
| 68 | K | 78.1 | Confident | 87.4 | Confident | 179 Ų | 179 | 48.2 Ų | 48.2 | 78% | 0.778 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.5 | -177.7 | -172.4 | 179.9 | 177.4 | -176.9 | 0 | 113.3 | V42 | V42-K68 HydrophobicContact CG1-CB 3.99Å; V42-K68 PolarHBondContact O-N 2.92Å; V42-K68 VanDerWaalsContact O-N 3.13Å |
| 69 | E | 82.8 | Confident | 87.7 | Confident | 134 Ų | 134 | 46.6 Ų | 46.6 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 10.2 | 179.4 | -63.5 | 170.5 | -161.4 | 0 | 0 | 112 | V42 G67 | V42-E69 HydrophobicContact CG1-CB 4Å; V42-E69 HydrophobicContact CG1-CG 3.75Å; V42-E69 CarbonylContact O-C 3.58Å; V42-E69 WeakPolarHBondContact O-CA 3.37Å; V42-E69 PolarHBondContact O-N 3.46Å; G67-E69 PolarHBondContact O-N 3.12Å |
| 70 | C | 87.1 | Confident | 87.9 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | trans | -58.5 | 138.4 | 178.6 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | V42 G43 D44 G67 | V42-C70 PolarHBondContact O-N 3.05Å; G43-C70 WeakPolarHBondContact O-CA 3.35Å; D44-C70 VanDerWaalsContact C-SG 3.59Å; G67-C70 WeakPolarHBondContact O-CB 3.35Å; G67-C70 PolarHBondContact O-N 3.01Å; G67-C70 VanDerWaalsContact O-N 3.09Å | ||
| 71 | S | 85.3 | Confident | 88.1 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 33% | 0.329 | 24% | 0.241 | S | C | . | . | trans | -68.5 | 154.7 | 175.5 | 72.1 | 0 | 0 | 0 | 0 | 111.9 | D73 E74 S75 | S71-D73 VanDerWaalsContact C-N 3.27Å; S71-D73 PolarHBondContact O-N 3.43Å; S71-E74 WeakPolarHBondContact CB-OE2 3.48Å; S71-E74 PolarHBondContact N-OE2 3.22Å; S71-E74 PolarHBondContact O-N 3.46Å; S71-E74 WeakPolarHBondContact OG-CB 3.45Å; S71-E74 VanDerWaalsContact OG-CG 3.26Å; S71-E74 WeakPolarHBondContact OG-CG 3.2Å; S71-E74 PolarHBondContact OG-N 2.98Å; S71-E74 PolarHBondContact OG-OE2 3.11Å; S71-S75 WeakPolarHBondContact O-CB 3.39Å; S71-S75 PolarHBondContact O-N 2.95Å; S71-S75 PolarHBondContact O-OG 3.48Å | ||
| 72 | Q | 83.3 | Confident | 88.3 | Confident | 140 Ų | 140 | 43 Ų | 43 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.6 | -40.2 | 177.2 | -175.1 | 62.6 | 37.2 | 0 | 0 | 111.3 | S75 T76 | Q72-S75 PolarHBondContact O-N 3.05Å; Q72-S75 PolarHBondContact O-OG 2.85Å; Q72-T76 PolarHBondContact NE2-OG1 3.01Å; Q72-T76 VanDerWaalsContact O-CB 3.29Å; Q72-T76 WeakPolarHBondContact O-CB 3.26Å; Q72-T76 PolarHBondContact O-N 2.97Å; Q72-T76 PolarHBondContact O-OG1 3.24Å |
| 73 | D | 83.5 | Confident | 87.9 | Confident | 118 Ų | 118 | 44.4 Ų | 44.4 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.2 | -44.2 | -179.3 | -65.2 | -18.2 | 0 | 0 | 0 | 111.5 | L27 S71 T76 A77 | L27-D73 HydrophobicContact CD2-CB 4.33Å; S71-D73 VanDerWaalsContact C-N 3.27Å; S71-D73 PolarHBondContact O-N 3.43Å; D73-T76 PolarHBondContact O-N 3.44Å; D73-A77 WeakPolarHBondContact O-CB 3.18Å; D73-A77 PolarHBondContact O-N 2.79Å |
| 74 | E | 86.2 | Confident | 87.6 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.9 | -73.2 | 161.4 | 154.8 | 0 | 0 | 112.3 | I24 A45 S71 T76 A77 A78 | I24-E74 HydrophobicContact CG2-CB 4.47Å; I24-E74 HydrophobicContact CG2-CG 4.41Å; A45-E74 HydrophobicContact CB-CB 4.33Å; S71-E74 WeakPolarHBondContact CB-OE2 3.48Å; S71-E74 PolarHBondContact N-OE2 3.22Å; S71-E74 PolarHBondContact O-N 3.46Å; S71-E74 WeakPolarHBondContact OG-CB 3.45Å; S71-E74 VanDerWaalsContact OG-CG 3.26Å; S71-E74 WeakPolarHBondContact OG-CG 3.2Å; S71-E74 PolarHBondContact OG-N 2.98Å; S71-E74 PolarHBondContact OG-OE2 3.11Å; E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 3.34Å; E74-A77 PolarHBondContact O-N 3.1Å; E74-A78 WeakPolarHBondContact O-CB 3.48Å; E74-A78 PolarHBondContact O-N 2.94Å |
| 75 | S | 86 | Confident | 87.4 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.8 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | S71 Q72 A78 A79 | S71-S75 WeakPolarHBondContact O-CB 3.39Å; S71-S75 PolarHBondContact O-N 2.95Å; S71-S75 PolarHBondContact O-OG 3.48Å; Q72-S75 PolarHBondContact O-N 3.05Å; Q72-S75 PolarHBondContact O-OG 2.85Å; S75-A78 PolarHBondContact O-N 3.26Å; S75-A79 PolarHBondContact O-N 3.45Å; S75-A79 VanDerWaalsContact O-N 3.16Å |
| 76 | T | 85 | Confident | 87.2 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 36% | 0.362 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 178 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | Q72 D73 E74 A78 A79 I80 | Q72-T76 PolarHBondContact NE2-OG1 3.01Å; Q72-T76 VanDerWaalsContact O-CB 3.29Å; Q72-T76 WeakPolarHBondContact O-CB 3.26Å; Q72-T76 PolarHBondContact O-N 2.97Å; Q72-T76 PolarHBondContact O-OG1 3.24Å; D73-T76 PolarHBondContact O-N 3.44Å; E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 3.34Å; T76-A78 PolarHBondContact O-N 3.4Å; T76-A79 PolarHBondContact O-N 3.48Å; T76-I80 HydrophobicContact CG2-CD1 3.96Å; T76-I80 VanDerWaalsContact O-CG1 3.29Å; T76-I80 WeakPolarHBondContact O-CG1 3.15Å; T76-I80 PolarHBondContact O-N 2.95Å |
| 77 | A | 88.4 | Confident | 87 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I24 L27 D73 E74 A79 I80 F81 | I24-A77 HydrophobicContact CG2-CB 3.94Å; L27-A77 HydrophobicContact CD2-CB 3.69Å; D73-A77 WeakPolarHBondContact O-CB 3.18Å; D73-A77 PolarHBondContact O-N 2.79Å; E74-A77 PolarHBondContact O-N 3.1Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 3.18Å; A77-I80 PolarHBondContact O-N 2.85Å; A77-F81 HydrophobicContact CB-CD2 4.46Å; A77-F81 HydrophobicContact CB-CE2 4.38Å; A77-F81 WeakPolarHBondContact O-CD2 3.32Å; A77-F81 PolarHBondContact O-N 2.63Å |
| 78 | A | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I24 A45 F64 L66 E74 S75 T76 T82 | I24-A78 HydrophobicContact CG1-CB 3.96Å; A45-A78 HydrophobicContact CB-CB 3.7Å; F64-A78 HydrophobicContact CB-CB 4.15Å; F64-A78 HydrophobicContact CD2-CB 4.23Å; L66-A78 HydrophobicContact CD2-CB 4.28Å; E74-A78 WeakPolarHBondContact O-CB 3.48Å; E74-A78 PolarHBondContact O-N 2.94Å; S75-A78 PolarHBondContact O-N 3.26Å; T76-A78 PolarHBondContact O-N 3.4Å; A78-T82 WeakPolarHBondContact O-CB 3.49Å; A78-T82 PolarHBondContact O-N 3.23Å; A78-T82 PolarHBondContact O-OG1 2.95Å |
| 79 | A | 86.4 | Confident | 87.8 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F64 S75 T76 A77 T82 V83 | F64-A79 HydrophobicContact CE2-CB 4.45Å; S75-A79 PolarHBondContact O-N 3.45Å; S75-A79 VanDerWaalsContact O-N 3.16Å; T76-A79 PolarHBondContact O-N 3.48Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 3.18Å; A79-T82 WeakPolarHBondContact O-CB 3.37Å; A79-T82 PolarHBondContact O-N 3.1Å; A79-V83 PolarHBondContact O-N 3.23Å; A79-V83 VanDerWaalsContact O-N 3.11Å |
| 80 | I | 86.7 | Confident | 87.9 | Confident | 85 Ų | 85 | 42.1 Ų | 42.1 | 44% | 0.436 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -48.7 | 176.6 | -70.5 | 167 | 0 | 0 | 0 | 110.9 | T76 A77 T82 V83 Q84 | T76-I80 HydrophobicContact CG2-CD1 3.96Å; T76-I80 VanDerWaalsContact O-CG1 3.29Å; T76-I80 WeakPolarHBondContact O-CG1 3.15Å; T76-I80 PolarHBondContact O-N 2.95Å; A77-I80 PolarHBondContact O-N 2.85Å; I80-T82 VanDerWaalsContact C-N 3.27Å; I80-T82 PolarHBondContact O-N 3.35Å; I80-V83 PolarHBondContact O-N 2.64Å; I80-Q84 HydrophobicContact CG2-CG 4.23Å; I80-Q84 VanDerWaalsContact O-CG 3.32Å; I80-Q84 WeakPolarHBondContact O-CG 3.49Å; I80-Q84 PolarHBondContact O-N 3.03Å |
| 81 | F | 93.2 | Very high | 87.7 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -32 | 178.9 | -75.3 | -55.2 | 0 | 0 | 0 | 112.8 | H7 F10 I24 L27 L29 L47 A77 M85 | H7-F81 AromaticContact CD2-CE1 3.86Å; F10-F81 HydrophobicContact CE1-CD1 4.49Å; F10-F81 HydrophobicContact CZ-CD1 4.22Å; I24-F81 HydrophobicContact CD1-CD2 3.73Å; I24-F81 HydrophobicContact CD1-CE2 4.2Å; L27-F81 WeakPolarHBondContact O-CE2 3.49Å; L27-F81 WeakPolarHBondContact O-CZ 3.31Å; L29-F81 HydrophobicContact CD1-CB 4.26Å; L29-F81 HydrophobicContact CD1-CD1 3.77Å; L29-F81 HydrophobicContact CD1-CD2 4.49Å; L29-F81 HydrophobicContact CD1-CE1 4.18Å; L29-F81 HydrophobicContact CD1-CG 3.95Å; L29-F81 HydrophobicContact CD2-CB 4.3Å; L29-F81 HydrophobicContact CD2-CD2 4.03Å; L29-F81 HydrophobicContact CD2-CG 4.13Å; L29-F81 HydrophobicContact CG-CB 4.48Å; L29-F81 HydrophobicContact CG-CD1 4.04Å; L29-F81 HydrophobicContact CG-CD2 3.95Å; L29-F81 HydrophobicContact CG-CE1 4.19Å; L29-F81 HydrophobicContact CG-CE2 4.1Å; L29-F81 HydrophobicContact CG-CG 3.92Å; L29-F81 HydrophobicContact CG-CZ 4.22Å; L47-F81 HydrophobicContact CD2-CB 3.64Å; A77-F81 HydrophobicContact CB-CD2 4.46Å; A77-F81 HydrophobicContact CB-CE2 4.38Å; A77-F81 WeakPolarHBondContact O-CD2 3.32Å; A77-F81 PolarHBondContact O-N 2.63Å; F81-M85 VanDerWaalsContact O-CB 3.25Å; F81-M85 WeakPolarHBondContact O-CB 3.35Å; F81-M85 PolarHBondContact O-N 3.12Å |
| 82 | T | 93.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 173 | -58.5 | 0 | 0 | 0 | 0 | 111 | L47 L62 F64 A78 A79 I80 M85 D86 Q95 | L47-T82 WeakPolarHBondContact CD1-OG1 3.38Å; L62-T82 HydrophobicContact CD2-CG2 3.78Å; L62-T82 WeakPolarHBondContact CD2-O 3.48Å; L62-T82 HydrophobicContact CG-CG2 4.05Å; F64-T82 WeakPolarHBondContact CB-OG1 3.31Å; F64-T82 HydrophobicContact CD1-CG2 4.13Å; A78-T82 WeakPolarHBondContact O-CB 3.49Å; A78-T82 PolarHBondContact O-N 3.23Å; A78-T82 PolarHBondContact O-OG1 2.95Å; A79-T82 WeakPolarHBondContact O-CB 3.37Å; A79-T82 PolarHBondContact O-N 3.1Å; I80-T82 VanDerWaalsContact C-N 3.27Å; I80-T82 PolarHBondContact O-N 3.35Å; T82-M85 PolarHBondContact O-N 3.1Å; T82-D86 WeakPolarHBondContact O-CB 3.33Å; T82-D86 PolarHBondContact O-N 2.63Å; T82-Q95 HydrophobicContact CG2-CB 4.28Å; T82-Q95 HydrophobicContact CG2-CG 4.17Å |
| 83 | V | 88 | Confident | 88 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 178.8 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | A79 I80 M85 D86 D87 K307 | A79-V83 PolarHBondContact O-N 3.23Å; A79-V83 VanDerWaalsContact O-N 3.11Å; I80-V83 PolarHBondContact O-N 2.64Å; V83-M85 PolarHBondContact O-N 3.36Å; V83-D86 PolarHBondContact O-N 3Å; V83-D87 PolarHBondContact O-N 2.64Å; V83-K307 HydrophobicContact CG1-CB 4.22Å; V83-K307 HydrophobicContact CG1-CG 4.19Å |
| 84 | Q | 89.7 | Confident | 88.1 | Confident | 84 Ų | 84 | 35 Ų | 35 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.4 | -36.6 | -179.7 | -66.8 | 177.4 | -9.7 | 0 | 0 | 112.3 | F10 I80 Y88 | F10-Q84 HydrophobicContact CE2-CB 3.64Å; F10-Q84 HydrophobicContact CZ-CB 3.76Å; I80-Q84 HydrophobicContact CG2-CG 4.23Å; I80-Q84 VanDerWaalsContact O-CG 3.32Å; I80-Q84 WeakPolarHBondContact O-CG 3.49Å; I80-Q84 PolarHBondContact O-N 3.03Å; Q84-Y88 WeakPolarHBondContact O-CB 3.48Å; Q84-Y88 PolarHBondContact O-N 3.29Å |
| 85 | M | 92.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.3 | -34.7 | 176 | -169.8 | 177 | -12.9 | 0 | 0 | 112 | F10 A13 W22 L47 L49 L62 F81 T82 V83 Y88 L89 | F10-M85 HydrophobicContact CD1-CB 4.33Å; F10-M85 HydrophobicContact CD1-CG 4.31Å; F10-M85 HydrophobicContact CE1-CB 3.82Å; F10-M85 HydrophobicContact CE1-CE 4.19Å; F10-M85 HydrophobicContact CE1-CG 4.26Å; F10-M85 HydrophobicContact CE2-CB 4.42Å; F10-M85 HydrophobicContact CZ-CB 3.88Å; A13-M85 HydrophobicContact CB-SD 3.83Å; W22-M85 HydrophobicContact CZ3-CE 4.27Å; W22-M85 HydrophobicContact CZ3-SD 4.44Å; L47-M85 HydrophobicContact CD1-CE 4.31Å; L47-M85 HydrophobicContact CD2-CE 3.05Å; L47-M85 HydrophobicContact CG-CE 3.56Å; L49-M85 HydrophobicContact CD2-SD 4.04Å; L62-M85 HydrophobicContact CD1-CE 3.71Å; L62-M85 HydrophobicContact CD1-SD 3.84Å; L62-M85 HydrophobicContact CD2-CB 4.01Å; L62-M85 HydrophobicContact CD2-CG 4.34Å; F81-M85 VanDerWaalsContact O-CB 3.25Å; F81-M85 WeakPolarHBondContact O-CB 3.35Å; F81-M85 PolarHBondContact O-N 3.12Å; T82-M85 PolarHBondContact O-N 3.1Å; V83-M85 PolarHBondContact O-N 3.36Å; M85-Y88 PolarHBondContact O-N 2.87Å; M85-L89 HydrophobicContact CG-CD1 4.02Å; M85-L89 HydrophobicContact CG-CG 4.36Å; M85-L89 WeakPolarHBondContact O-CB 3.03Å; M85-L89 VanDerWaalsContact O-CG 3.32Å; M85-L89 WeakPolarHBondContact O-CG 3.43Å; M85-L89 PolarHBondContact O-N 2.81Å; M85-L89 HydrophobicContact SD-CD1 4.48Å |
| 86 | D | 89.9 | Confident | 88.4 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 170.7 | -175.7 | 44.1 | 0 | 0 | 0 | 111.2 | T82 V83 Y88 L89 G90 G91 P93 Q95 K297 | T82-D86 WeakPolarHBondContact O-CB 3.33Å; T82-D86 PolarHBondContact O-N 2.63Å; V83-D86 PolarHBondContact O-N 3Å; D86-Y88 VanDerWaalsContact C-N 3.33Å; D86-Y88 PolarHBondContact O-N 2.79Å; D86-L89 CarbonylContact O-C 3.55Å; D86-L89 PolarHBondContact O-N 2.85Å; D86-G90 PolarHBondContact O-N 2.74Å; D86-G90 VanDerWaalsContact O-N 3.16Å; D86-G91 WeakPolarHBondContact O-CA 3.46Å; D86-G91 PolarHBondContact O-N 2.73Å; D86-G91 WeakPolarHBondContact OD1-CA 3.24Å; D86-P93 WeakPolarHBondContact OD1-CD 3.35Å; D86-Q95 VanDerWaalsContact CB-NE2 3.33Å; D86-Q95 PolarHBondContact OD2-NE2 2.86Å; D86-K297 IonicContact OD2-NZ 3.32Å; D86-K297 PolarHBondContact OD2-NZ 2.79Å |
| 87 | D | 87.3 | Confident | 88.8 | Confident | 64 Ų | 64 | 32.6 Ų | 32.6 | 34% | 0.342 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.4 | -46.8 | 174.1 | -82.7 | -11.7 | 0 | 0 | 0 | 111.2 | V83 L89 G90 K307 | V83-D87 PolarHBondContact O-N 2.64Å; D87-L89 VanDerWaalsContact C-N 3.31Å; D87-L89 PolarHBondContact O-N 2.97Å; D87-G90 PolarHBondContact O-N 3.23Å; D87-K307 WeakPolarHBondContact OD2-CE 3.18Å; D87-K307 IonicContact OD2-NZ 2.92Å; D87-K307 PolarHBondContact OD2-NZ 3.13Å |
| 88 | Y | 89.8 | Confident | 88.6 | Confident | 66 Ų | 66 | 32.2 Ų | 32.2 | 26% | 0.259 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.4 | -36.6 | 178.4 | -176.4 | -94.4 | 0 | 0 | 0 | 113 | Y6 F10 Q84 M85 D86 G90 | Y6-Y88 AromaticContact CD1-CD2 3.68Å; Y6-Y88 HydrophobicContact CD1-CD2 3.68Å; Y6-Y88 HydrophobicContact CD1-CE2 4.46Å; Y6-Y88 AromaticContact CD2-CD2 3.96Å; Y6-Y88 HydrophobicContact CD2-CD2 3.96Å; Y6-Y88 AromaticContact CD2-CE2 4Å; Y6-Y88 HydrophobicContact CD2-CE2 4Å; Y6-Y88 HydrophobicContact CE1-CD2 4.09Å; Y6-Y88 HydrophobicContact CE2-CD2 4.33Å; Y6-Y88 AromaticContact CG-CD2 3.6Å; Y6-Y88 HydrophobicContact CG-CD2 3.6Å; Y6-Y88 AromaticContact CG-CE2 3.93Å; Y6-Y88 HydrophobicContact CG-CE2 3.93Å; F10-Y88 HydrophobicContact CB-CD1 3.91Å; F10-Y88 HydrophobicContact CB-CD2 4.11Å; F10-Y88 HydrophobicContact CB-CE1 4.09Å; F10-Y88 HydrophobicContact CB-CE2 4.27Å; F10-Y88 HydrophobicContact CB-CG 3.93Å; F10-Y88 HydrophobicContact CD2-CD2 4.31Å; F10-Y88 HydrophobicContact CD2-CG 4.08Å; F10-Y88 HydrophobicContact CG-CG 4.37Å; F10-Y88 WeakPolarHBondContact O-CE1 3.01Å; Q84-Y88 WeakPolarHBondContact O-CB 3.48Å; Q84-Y88 PolarHBondContact O-N 3.29Å; M85-Y88 PolarHBondContact O-N 2.87Å; D86-Y88 VanDerWaalsContact C-N 3.33Å; D86-Y88 PolarHBondContact O-N 2.79Å; Y88-G90 PolarHBondContact O-N 3.04Å |
| 89 | L | 88.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.2 | 176.7 | -64.8 | 175 | 0 | 0 | 0 | 113 | L49 Y60 M85 D86 D87 P93 | L49-L89 HydrophobicContact CD1-CD1 4.17Å; L49-L89 HydrophobicContact CD2-CD1 4.21Å; Y60-L89 HydrophobicContact CD1-CD1 4.16Å; Y60-L89 HydrophobicContact CD2-CB 4.28Å; Y60-L89 HydrophobicContact CD2-CD1 4.25Å; Y60-L89 HydrophobicContact CE1-CD1 4.49Å; Y60-L89 HydrophobicContact CE1-CD2 4.26Å; Y60-L89 HydrophobicContact CE2-CB 4.25Å; Y60-L89 HydrophobicContact CE2-CD2 4.24Å; Y60-L89 HydrophobicContact CG-CD1 4.02Å; M85-L89 HydrophobicContact CG-CD1 4.02Å; M85-L89 HydrophobicContact CG-CG 4.36Å; M85-L89 WeakPolarHBondContact O-CB 3.03Å; M85-L89 VanDerWaalsContact O-CG 3.32Å; M85-L89 WeakPolarHBondContact O-CG 3.43Å; M85-L89 PolarHBondContact O-N 2.81Å; M85-L89 HydrophobicContact SD-CD1 4.48Å; D86-L89 CarbonylContact O-C 3.55Å; D86-L89 PolarHBondContact O-N 2.85Å; D87-L89 VanDerWaalsContact C-N 3.31Å; D87-L89 PolarHBondContact O-N 2.97Å; L89-P93 HydrophobicContact CB-CG 3.76Å; L89-P93 HydrophobicContact CD1-CG 3.65Å; L89-P93 HydrophobicContact CG-CG 4.34Å |
| 90 | G | 85.4 | Confident | 87.2 | Confident | 56 Ų | 56 | 34.2 Ų | 34.2 | 58% | 0.577 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 29.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D86 D87 Y88 K92 | D86-G90 PolarHBondContact O-N 2.74Å; D86-G90 VanDerWaalsContact O-N 3.16Å; D87-G90 PolarHBondContact O-N 3.23Å; Y88-G90 PolarHBondContact O-N 3.04Å; G90-K92 PolarHBondContact O-N 2.82Å |
| 91 | G | 82.2 | Confident | 85.7 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 69.4 | 13.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | D86 P332 | D86-G91 WeakPolarHBondContact O-CA 3.46Å; D86-G91 PolarHBondContact O-N 2.73Å; D86-G91 WeakPolarHBondContact OD1-CA 3.24Å; G91-P332 WeakPolarHBondContact O-CB 3.47Å |
| 92 | K | 83.5 | Confident | 84.2 | Confident | 141 Ų | 141 | 37.5 Ų | 37.5 | 61% | 0.613 | 21% | 0.206 | S | C | * | . | trans | -82.4 | -31.3 | -176.6 | -62 | 178 | -177.1 | 176.9 | 0 | 114.8 | Y60 G90 | Y60-K92 HydrophobicContact CD2-CB 4.18Å; G90-K92 PolarHBondContact O-N 2.82Å | ||
| 93 | P | 90.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 139.8 | 177.5 | -28.7 | 31.1 | 0 | 0 | 0 | 115.6 | Y60 L62 D86 L89 | Y60-P93 HydrophobicContact CD2-CG 4.2Å; Y60-P93 HydrophobicContact CG-CG 4.25Å; Y60-P93 WeakPolarHBondContact O-CA 3.43Å; L62-P93 HydrophobicContact CB-CB 3.94Å; D86-P93 WeakPolarHBondContact OD1-CD 3.35Å; L89-P93 HydrophobicContact CB-CG 3.76Å; L89-P93 HydrophobicContact CD1-CG 3.65Å; L89-P93 HydrophobicContact CG-CG 4.34Å |
| 94 | V | 86.4 | Confident | 81.9 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.5 | 158.4 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | Y60 R61 L62 Q329 L331 G335 | Y60-V94 PolarHBondContact O-N 2.9Å; R61-V94 WeakPolarHBondContact CA-O 3.26Å; L62-V94 PolarHBondContact N-O 3.32Å; V94-Q329 HydrophobicContact CG1-CG 4.12Å; V94-L331 HydrophobicContact CB-CD2 4.45Å; V94-L331 HydrophobicContact CG1-CD2 3.67Å; V94-L331 HydrophobicContact CG2-CD2 4.02Å; V94-G335 WeakPolarHBondContact CG2-O 3.2Å |
| 95 | Q | 92.8 | Very high | 80.3 | Confident | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141 | -177.9 | -47.7 | 177.3 | 14.4 | 0 | 0 | 111.4 | L62 T82 D86 M310 Q329 V330 | L62-Q95 CarbonylContact O-C 3.29Å; L62-Q95 WeakPolarHBondContact O-CA 3.39Å; T82-Q95 HydrophobicContact CG2-CB 4.28Å; T82-Q95 HydrophobicContact CG2-CG 4.17Å; D86-Q95 VanDerWaalsContact CB-NE2 3.33Å; D86-Q95 PolarHBondContact OD2-NE2 2.86Å; Q95-M310 HydrophobicContact CB-CE 4.11Å; Q95-Q329 WeakPolarHBondContact O-CA 3.38Å; Q95-V330 HydrophobicContact CB-CB 4.13Å; Q95-V330 PolarHBondContact N-O 2.73Å; Q95-V330 PolarHBondContact O-N 2.99Å |
| 96 | N | 84.9 | Confident | 78.9 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137 | 176.7 | -55.8 | -82.6 | 0 | 0 | 0 | 111 | L62 H63 F64 E98 Q329 | L62-N96 PolarHBondContact O-N 3.44Å; H63-N96 WeakPolarHBondContact CA-O 3.48Å; H63-N96 PolarHBondContact CE1-ND2 2.8Å; H63-N96 WeakPolarHBondContact ND1-CB 3.49Å; H63-N96 PolarHBondContact ND1-ND2 2.83Å; F64-N96 WeakPolarHBondContact CD1-O 3.4Å; F64-N96 PolarHBondContact N-O 2.83Å; F64-N96 VanDerWaalsContact N-O 3.08Å; N96-E98 VanDerWaalsContact CB-OE1 3.31Å; N96-E98 WeakPolarHBondContact CB-OE1 3.34Å; N96-Q329 WeakPolarHBondContact OD1-CG 3Å; N96-Q329 PolarHBondContact OD1-NE2 3.2Å |
| 97 | R | 92.9 | Very high | 78 | Confident | 34 Ų | 34 | 41 Ų | 41 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.7 | 170.1 | 178.9 | 174.8 | 179.4 | -92.3 | -3.4 | 109.3 | F64 M310 E314 K324 I328 | F64-R97 HydrophobicContact CE1-CB 3.69Å; F64-R97 HydrophobicContact CE1-CG 4.12Å; F64-R97 HydrophobicContact CE2-CB 4.34Å; F64-R97 HydrophobicContact CE2-CG 3.84Å; F64-R97 HydrophobicContact CZ-CB 3.54Å; F64-R97 HydrophobicContact CZ-CG 3.45Å; F64-R97 VanDerWaalsContact CZ-CG 3.45Å; R97-M310 HydrophobicContact CB-SD 4.23Å; R97-E314 IonicContact CZ-OE1 3.09Å; R97-E314 IonicContact NE-OE1 3.62Å; R97-E314 PolarHBondContact NE-OE1 2.95Å; R97-E314 VanDerWaalsContact NE-OE1 3.09Å; R97-K324 PolarHBondContact NH1-O 3.39Å; R97-I328 HydrophobicContact CB-CB 4.15Å; R97-I328 PolarHBondContact N-O 2.89Å; R97-I328 VanDerWaalsContact N-O 3.1Å |
| 98 | E | 85.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.1 | -177 | -51.4 | -64.9 | 176.9 | 0 | 0 | 109.9 | H63 F64 W65 L66 N96 E103 S104 F107 | H63-E98 HydrophobicContact CB-CG 3.86Å; H63-E98 IonicContact CE1-OE1 3.03Å; H63-E98 IonicContact CG-OE1 3.91Å; H63-E98 IonicContact ND1-OE1 3.86Å; H63-E98 PolarHBondContact ND1-OE1 2.83Å; F64-E98 PolarHBondContact O-N 3.35Å; W65-E98 CarbonylContact C-O 3.58Å; W65-E98 VanDerWaalsContact CA-O 3.28Å; W65-E98 WeakPolarHBondContact CA-O 3.18Å; W65-E98 HydrophobicContact CB-CB 4.11Å; W65-E98 HydrophobicContact CG-CB 4.31Å; L66-E98 PolarHBondContact N-O 3.22Å; N96-E98 VanDerWaalsContact CB-OE1 3.31Å; N96-E98 WeakPolarHBondContact CB-OE1 3.34Å; E98-E103 HydrophobicContact CB-CG 4.29Å; E98-E103 WeakPolarHBondContact OE2-CA 3.23Å; E98-S104 WeakPolarHBondContact OE1-CB 3.36Å; E98-S104 PolarHBondContact OE1-OG 2.85Å; E98-S104 PolarHBondContact OE2-N 3.43Å; E98-S104 PolarHBondContact OE2-OG 2.68Å; E98-F107 HydrophobicContact CG-CB 4.14Å; E98-F107 HydrophobicContact CG-CD1 4.46Å; E98-F107 HydrophobicContact CG-CD2 3.74Å; E98-F107 HydrophobicContact CG-CE2 4.17Å; E98-F107 HydrophobicContact CG-CG 3.87Å; E98-F107 WeakPolarHBondContact OE1-CB 3.4Å |
| 99 | L | 75.6 | Confident | 75.2 | Confident | 29 Ų | 29 | 40.8 Ų | 40.8 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.7 | 176.8 | -64.1 | 178.7 | 0 | 0 | 0 | 109.4 | L66 G101 Y102 E103 K324 N325 | L66-L99 HydrophobicContact CB-CD2 3.88Å; L66-L99 HydrophobicContact CD1-CD2 3.94Å; L66-L99 HydrophobicContact CG-CD2 4.3Å; L99-G101 PolarHBondContact O-N 3.16Å; L99-G101 VanDerWaalsContact O-N 3.14Å; L99-Y102 CarbonylContact O-C 3.29Å; L99-Y102 PolarHBondContact O-N 3.23Å; L99-E103 VanDerWaalsContact O-CD 3.31Å; L99-E103 PolarHBondContact O-N 3.24Å; L99-K324 VanDerWaalsContact CD1-O 3.25Å; L99-K324 WeakPolarHBondContact CD1-O 3.33Å; L99-N325 HydrophobicContact CD1-CB 4.34Å |
| 100 | Q | 72.8 | Confident | 74.4 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 17% | 0.173 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 122 | 175.5 | -179.3 | 178.8 | -21.2 | 0 | 0 | 111.9 | W65 L66 Y102 E103 Y117 | W65-Q100 HydrophobicContact CH2-CB 4.08Å; W65-Q100 HydrophobicContact CH2-CG 4.31Å; W65-Q100 HydrophobicContact CZ2-CB 3.49Å; W65-Q100 VanDerWaalsContact CZ2-CB 3.49Å; W65-Q100 HydrophobicContact CZ2-CG 3.75Å; L66-Q100 PolarHBondContact O-N 3.47Å; Q100-Y102 VanDerWaalsContact C-N 3.31Å; Q100-E103 WeakPolarHBondContact CA-OE1 3.23Å; Q100-Y117 HydrophobicContact CG-CD1 3.92Å; Q100-Y117 HydrophobicContact CG-CD2 4.11Å; Q100-Y117 HydrophobicContact CG-CE1 3.84Å; Q100-Y117 HydrophobicContact CG-CE2 4.03Å; Q100-Y117 HydrophobicContact CG-CG 4.06Å |
| 101 | G | 54.3 | Low | 73.6 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 1.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L99 E103 Y117 | L99-G101 PolarHBondContact O-N 3.16Å; L99-G101 VanDerWaalsContact O-N 3.14Å; G101-E103 VanDerWaalsContact CA-OE2 3.31Å; G101-E103 WeakPolarHBondContact CA-OE2 3.25Å; G101-E103 PolarHBondContact N-OE1 3.15Å; G101-E103 PolarHBondContact N-OE2 3.27Å; G101-Y117 PolarHBondContact N-OH 3.15Å |
| 102 | Y | 62.1 | Low | 72 | Confident | 122 Ų | 122 | 47.9 Ų | 47.9 | 48% | 0.478 | 25% | 0.248 | S | C | . | . | trans | -136 | 22.5 | 179.2 | -61.8 | -80.8 | 0 | 0 | 0 | 112.3 | L99 Q100 N325 Q327 | L99-Y102 CarbonylContact O-C 3.29Å; L99-Y102 PolarHBondContact O-N 3.23Å; Q100-Y102 VanDerWaalsContact C-N 3.31Å; Y102-N325 HydrophobicContact CD1-CB 4.28Å; Y102-N325 HydrophobicContact CD2-CB 3.91Å; Y102-N325 HydrophobicContact CE1-CB 4.43Å; Y102-N325 VanDerWaalsContact CE1-ND2 3.33Å; Y102-N325 WeakPolarHBondContact CE1-ND2 3.31Å; Y102-N325 HydrophobicContact CE2-CB 4.04Å; Y102-N325 HydrophobicContact CG-CB 4.03Å; Y102-N325 VanDerWaalsContact CZ-ND2 3.26Å; Y102-N325 PolarHBondContact OH-ND2 2.93Å; Y102-Q327 PolarHBondContact O-NE2 2.66Å | ||
| 103 | E | 71.1 | Confident | 70.1 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | trans | -62.2 | 149.3 | -177.3 | -59.9 | 89.9 | 156.9 | 0 | 0 | 112.5 | W65 E98 L99 Q100 G101 F107 V108 L115 Y117 | W65-E103 PolarHBondContact NE1-OE1 3.43Å; E98-E103 HydrophobicContact CB-CG 4.29Å; E98-E103 WeakPolarHBondContact OE2-CA 3.23Å; L99-E103 VanDerWaalsContact O-CD 3.31Å; L99-E103 PolarHBondContact O-N 3.24Å; Q100-E103 WeakPolarHBondContact CA-OE1 3.23Å; G101-E103 VanDerWaalsContact CA-OE2 3.31Å; G101-E103 WeakPolarHBondContact CA-OE2 3.25Å; G101-E103 PolarHBondContact N-OE1 3.15Å; G101-E103 PolarHBondContact N-OE2 3.27Å; E103-F107 HydrophobicContact CB-CD1 3.75Å; E103-F107 HydrophobicContact CB-CE1 4.43Å; E103-F107 HydrophobicContact CB-CG 4.48Å; E103-F107 HydrophobicContact CG-CD1 3.74Å; E103-F107 HydrophobicContact CG-CE1 3.92Å; E103-V108 HydrophobicContact CB-CG2 3.87Å; E103-L115 HydrophobicContact CG-CD1 4.26Å; E103-Y117 VanDerWaalsContact OE1-CE1 3.27Å; E103-Y117 WeakPolarHBondContact OE1-CE1 3.3Å; E103-Y117 VanDerWaalsContact OE1-CZ 3.27Å; E103-Y117 PolarHBondContact OE1-OH 3.43Å; E103-Y117 PolarHBondContact OE2-OH 2.9Å | ||
| 104 | S | 61.5 | Low | 67.9 | Low | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | trans | -65.4 | 152.8 | 175.8 | 73 | 0 | 0 | 0 | 0 | 111.8 | E98 D106 F107 V108 | E98-S104 WeakPolarHBondContact OE1-CB 3.36Å; E98-S104 PolarHBondContact OE1-OG 2.85Å; E98-S104 PolarHBondContact OE2-N 3.43Å; E98-S104 PolarHBondContact OE2-OG 2.68Å; S104-D106 PolarHBondContact O-N 3.33Å; S104-F107 PolarHBondContact O-N 3.15Å; S104-F107 VanDerWaalsContact O-N 3.15Å; S104-F107 WeakPolarHBondContact OG-CB 3.42Å; S104-F107 PolarHBondContact OG-N 3.13Å; S104-V108 WeakPolarHBondContact O-CG2 3.32Å; S104-V108 PolarHBondContact O-N 3.17Å | ||
| 105 | T | 56.5 | Low | 66.4 | Low | 110 Ų | 110 | 49.9 Ų | 49.9 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -59.8 | -36.9 | 177 | 50.6 | 0 | 0 | 0 | 0 | 112 | S109 | T105-S109 WeakPolarHBondContact O-CB 3.25Å; T105-S109 PolarHBondContact O-N 3.36Å |
| 106 | D | 62.8 | Low | 64.7 | Low | 47 Ų | 47 | 52.2 Ų | 52.2 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 175.5 | -81.2 | 18.3 | 0 | 0 | 0 | 110 | R61 S104 S109 Y110 | R61-D106 IonicContact CZ-OD2 3.49Å; R61-D106 IonicContact NE-OD2 2.83Å; R61-D106 PolarHBondContact NE-OD2 3.1Å; R61-D106 IonicContact NH2-OD2 3.18Å; S104-D106 PolarHBondContact O-N 3.33Å; D106-S109 PolarHBondContact O-N 3.48Å; D106-S109 PolarHBondContact O-OG 3.33Å; D106-Y110 WeakPolarHBondContact O-CD1 3.41Å; D106-Y110 WeakPolarHBondContact O-CE1 3.48Å; D106-Y110 VanDerWaalsContact O-CZ 3.28Å |
| 107 | F | 71.7 | Confident | 63.7 | Low | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 179.3 | -176.4 | -96.1 | 0 | 0 | 0 | 113 | F40 V48 H63 W65 E98 E103 S104 S109 Y110 F111 L115 | F40-F107 AromaticContact CE1-CZ 3.99Å; F40-F107 HydrophobicContact CE1-CZ 3.99Å; F40-F107 HydrophobicContact CE2-CE1 4.46Å; F40-F107 HydrophobicContact CE2-CZ 4.23Å; F40-F107 HydrophobicContact CZ-CE1 4.27Å; F40-F107 AromaticContact CZ-CZ 3.61Å; F40-F107 HydrophobicContact CZ-CZ 3.61Å; V48-F107 HydrophobicContact CB-CE2 3.96Å; V48-F107 HydrophobicContact CG1-CE2 4.23Å; V48-F107 HydrophobicContact CG2-CE2 3.72Å; V48-F107 HydrophobicContact CG2-CZ 4.25Å; H63-F107 HydrophobicContact CB-CD2 3.72Å; H63-F107 HydrophobicContact CB-CE2 4Å; H63-F107 AromaticContact CG-CD2 3.72Å; H63-F107 AromaticContact ND1-CD2 3.72Å; W65-F107 HydrophobicContact CB-CE2 4.33Å; W65-F107 HydrophobicContact CB-CZ 3.89Å; W65-F107 AromaticContact CD1-CE1 3.59Å; W65-F107 AromaticContact CD1-CZ 3.65Å; W65-F107 HydrophobicContact CG-CE1 4.36Å; W65-F107 AromaticContact CG-CZ 3.99Å; W65-F107 HydrophobicContact CG-CZ 3.99Å; E98-F107 HydrophobicContact CG-CB 4.14Å; E98-F107 HydrophobicContact CG-CD1 4.46Å; E98-F107 HydrophobicContact CG-CD2 3.74Å; E98-F107 HydrophobicContact CG-CE2 4.17Å; E98-F107 HydrophobicContact CG-CG 3.87Å; E98-F107 WeakPolarHBondContact OE1-CB 3.4Å; E103-F107 HydrophobicContact CB-CD1 3.75Å; E103-F107 HydrophobicContact CB-CE1 4.43Å; E103-F107 HydrophobicContact CB-CG 4.48Å; E103-F107 HydrophobicContact CG-CD1 3.74Å; E103-F107 HydrophobicContact CG-CE1 3.92Å; S104-F107 PolarHBondContact O-N 3.15Å; S104-F107 VanDerWaalsContact O-N 3.15Å; S104-F107 WeakPolarHBondContact OG-CB 3.42Å; S104-F107 PolarHBondContact OG-N 3.13Å; F107-S109 VanDerWaalsContact C-N 3.26Å; F107-S109 PolarHBondContact O-N 3.12Å; F107-Y110 WeakPolarHBondContact O-CD2 3.43Å; F107-Y110 PolarHBondContact O-N 2.94Å; F107-F111 HydrophobicContact CD1-CE2 4.15Å; F107-F111 HydrophobicContact CD2-CE2 4.42Å; F107-F111 AromaticContact CE1-CE2 3.84Å; F107-F111 HydrophobicContact CE1-CE2 3.84Å; F107-F111 HydrophobicContact CE2-CE2 4.15Å; F107-F111 HydrophobicContact CG-CE2 4.45Å; F107-F111 AromaticContact CZ-CE2 3.85Å; F107-F111 HydrophobicContact CZ-CE2 3.85Å; F107-F111 HydrophobicContact CZ-CZ 4.33Å; F107-F111 VanDerWaalsContact O-CD2 3.28Å; F107-F111 WeakPolarHBondContact O-CD2 3.46Å; F107-F111 WeakPolarHBondContact O-CE2 3.33Å; F107-L115 HydrophobicContact CD1-CD1 4.2Å; F107-L115 HydrophobicContact CE1-CD1 4.07Å; F107-L115 HydrophobicContact CE1-CD2 3.88Å |
| 108 | V | 58.5 | Low | 61.9 | Low | 53 Ų | 53 | 55 Ų | 55 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | E103 S104 Y110 F111 L115 | E103-V108 HydrophobicContact CB-CG2 3.87Å; S104-V108 WeakPolarHBondContact O-CG2 3.32Å; S104-V108 PolarHBondContact O-N 3.17Å; V108-Y110 PolarHBondContact O-N 3.18Å; V108-Y110 VanDerWaalsContact O-N 3.16Å; V108-F111 PolarHBondContact O-N 3.1Å; V108-L115 HydrophobicContact CG2-CD1 3.93Å |
| 109 | S | 59.6 | Low | 60.4 | Low | 73 Ų | 73 | 58.6 Ų | 58.6 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -22.4 | -177.2 | 79.4 | 0 | 0 | 0 | 0 | 114.5 | T105 D106 F107 F111 | T105-S109 WeakPolarHBondContact O-CB 3.25Å; T105-S109 PolarHBondContact O-N 3.36Å; D106-S109 PolarHBondContact O-N 3.48Å; D106-S109 PolarHBondContact O-OG 3.33Å; F107-S109 VanDerWaalsContact C-N 3.26Å; F107-S109 PolarHBondContact O-N 3.12Å; S109-F111 VanDerWaalsContact C-N 3.27Å; S109-F111 PolarHBondContact O-N 2.83Å |
| 110 | Y | 72.1 | Confident | 60.1 | Low | 38 Ų | 38 | 58 Ų | 58 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27.1 | 179.2 | -52 | -33.1 | 0 | 0 | 0 | 112.6 | L19 H50 R61 H63 D106 F107 V108 | L19-Y110 HydrophobicContact CD1-CD2 3.86Å; L19-Y110 HydrophobicContact CD1-CG 3.99Å; H50-Y110 HydrophobicContact CB-CD1 4.46Å; H50-Y110 HydrophobicContact CB-CE1 3.98Å; H50-Y110 HydrophobicContact CB-CE2 4.02Å; H50-Y110 AromaticContact CD2-CD1 3.85Å; H50-Y110 AromaticContact CD2-CE1 3.86Å; H50-Y110 AromaticContact CG-CE1 3.76Å; R61-Y110 WeakPolarHBondContact CD-OH 3.48Å; H63-Y110 AromaticContact CD2-CE2 3.77Å; H63-Y110 AromaticContact CE1-CE2 3.88Å; H63-Y110 AromaticContact NE2-CE2 3.32Å; H63-Y110 VanDerWaalsContact NE2-CE2 3.32Å; H63-Y110 WeakPolarHBondContact NE2-CE2 3.49Å; H63-Y110 AromaticContact NE2-CZ 3.53Å; H63-Y110 PolarHBondContact NE2-OH 2.83Å; D106-Y110 WeakPolarHBondContact O-CD1 3.41Å; D106-Y110 WeakPolarHBondContact O-CE1 3.48Å; D106-Y110 VanDerWaalsContact O-CZ 3.28Å; F107-Y110 WeakPolarHBondContact O-CD2 3.43Å; F107-Y110 PolarHBondContact O-N 2.94Å; V108-Y110 PolarHBondContact O-N 3.18Å; V108-Y110 VanDerWaalsContact O-N 3.16Å |
| 111 | F | 67.6 | Low | 60.1 | Low | 12 Ų | 12 | 56.3 Ų | 56.3 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | trans | -105.8 | 79.7 | -174.3 | -50.9 | -76.4 | 0 | 0 | 0 | 109.6 | L19 V21 H37 G38 F40 V48 F107 V108 S109 D113 G114 L115 | L19-F111 HydrophobicContact CD2-CD1 4.2Å; L19-F111 HydrophobicContact CD2-CE1 3.61Å; L19-F111 HydrophobicContact CD2-CZ 4.04Å; V21-F111 HydrophobicContact CG2-CE1 4.29Å; V21-F111 HydrophobicContact CG2-CZ 4.45Å; H37-F111 HydrophobicContact CB-CD1 4.38Å; H37-F111 HydrophobicContact CB-CE1 4.21Å; G38-F111 VanDerWaalsContact N-CD1 3.26Å; F40-F111 HydrophobicContact CE2-CE1 4.2Å; F40-F111 HydrophobicContact CE2-CE2 4.12Å; F40-F111 AromaticContact CE2-CZ 3.87Å; F40-F111 HydrophobicContact CE2-CZ 3.87Å; F40-F111 HydrophobicContact CZ-CE1 4.29Å; F40-F111 HydrophobicContact CZ-CE2 4.16Å; F40-F111 AromaticContact CZ-CZ 3.7Å; F40-F111 HydrophobicContact CZ-CZ 3.7Å; V48-F111 HydrophobicContact CG1-CZ 4.39Å; F107-F111 HydrophobicContact CD1-CE2 4.15Å; F107-F111 HydrophobicContact CD2-CE2 4.42Å; F107-F111 AromaticContact CE1-CE2 3.84Å; F107-F111 HydrophobicContact CE1-CE2 3.84Å; F107-F111 HydrophobicContact CE2-CE2 4.15Å; F107-F111 HydrophobicContact CG-CE2 4.45Å; F107-F111 AromaticContact CZ-CE2 3.85Å; F107-F111 HydrophobicContact CZ-CE2 3.85Å; F107-F111 HydrophobicContact CZ-CZ 4.33Å; F107-F111 VanDerWaalsContact O-CD2 3.28Å; F107-F111 WeakPolarHBondContact O-CD2 3.46Å; F107-F111 WeakPolarHBondContact O-CE2 3.33Å; V108-F111 PolarHBondContact O-N 3.1Å; S109-F111 VanDerWaalsContact C-N 3.27Å; S109-F111 PolarHBondContact O-N 2.83Å; F111-D113 PolarHBondContact O-N 2.93Å; F111-D113 VanDerWaalsContact O-N 3.13Å; F111-G114 WeakPolarHBondContact O-CA 3.31Å; F111-G114 PolarHBondContact O-N 2.8Å; F111-L115 HydrophobicContact CB-CD2 4.41Å; F111-L115 HydrophobicContact CD2-CD2 3.45Å; F111-L115 VanDerWaalsContact CD2-CD2 3.45Å; F111-L115 HydrophobicContact CD2-CG 4.19Å; F111-L115 HydrophobicContact CE2-CD2 3.82Å; F111-L115 HydrophobicContact CG-CD2 3.95Å | ||
| 112 | K | 49.6 | Very low | 61.2 | Low | 198 Ų | 198 | 55.5 Ų | 55.5 | 86% | 0.861 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.7 | -175.6 | -63.8 | -175.5 | 179.5 | -178.5 | 0 | 114.2 | G114 | K112-G114 VanDerWaalsContact C-N 3.29Š|
| 113 | D | 43.4 | Very low | 61.6 | Low | 151 Ų | 151 | 54.3 Ų | 54.3 | 81% | 0.807 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 4.4 | 175.8 | -59.3 | -44 | 0 | 0 | 0 | 113.3 | F111 | F111-D113 PolarHBondContact O-N 2.93Å; F111-D113 VanDerWaalsContact O-N 3.13Å |
| 114 | G | 43.8 | Very low | 60.9 | Low | 18 Ų | 18 | 56.3 Ų | 56.3 | 19% | 0.186 | 33% | 0.331 | C | S | . | . | trans | 86.7 | 162.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | F111 K112 | F111-G114 WeakPolarHBondContact O-CA 3.31Å; F111-G114 PolarHBondContact O-N 2.8Å; K112-G114 VanDerWaalsContact C-N 3.29Å | ||
| 115 | L | 54.7 | Low | 60.7 | Low | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | trans | -81.5 | 140.7 | 170.7 | -67.5 | 166.2 | 0 | 0 | 0 | 110.3 | G38 F40 E103 F107 V108 F111 Y117 | G38-L115 CarbonylContact O-C 3.5Å; G38-L115 WeakPolarHBondContact O-CA 3.12Å; F40-L115 HydrophobicContact CD2-CD2 3.56Å; F40-L115 HydrophobicContact CE2-CD2 3.29Å; F40-L115 HydrophobicContact CZ-CD2 4.32Å; E103-L115 HydrophobicContact CG-CD1 4.26Å; F107-L115 HydrophobicContact CD1-CD1 4.2Å; F107-L115 HydrophobicContact CE1-CD1 4.07Å; F107-L115 HydrophobicContact CE1-CD2 3.88Å; V108-L115 HydrophobicContact CG2-CD1 3.93Å; F111-L115 HydrophobicContact CB-CD2 4.41Å; F111-L115 HydrophobicContact CD2-CD2 3.45Å; F111-L115 VanDerWaalsContact CD2-CD2 3.45Å; F111-L115 HydrophobicContact CD2-CG 4.19Å; F111-L115 HydrophobicContact CE2-CD2 3.82Å; F111-L115 HydrophobicContact CG-CD2 3.95Å; L115-Y117 HydrophobicContact CB-CE1 4.37Å | ||
| 116 | K | 58.3 | Low | 60.5 | Low | 54 Ų | 54 | 57.5 Ų | 57.5 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.6 | 173.4 | -50.3 | -167 | -155.1 | 96 | 0 | 109.5 | G38 D39 F40 L130 | G38-K116 PolarHBondContact O-N 3.07Å; D39-K116 WeakPolarHBondContact OD1-CB 3.46Å; D39-K116 VanDerWaalsContact OD1-CD 3.23Å; D39-K116 WeakPolarHBondContact OD1-CD 3.4Å; D39-K116 WeakPolarHBondContact OD1-CG 3.37Å; D39-K116 IonicContact OD1-NZ 2.81Å; D39-K116 PolarHBondContact OD1-NZ 3.29Å; D39-K116 IonicContact OD2-NZ 2.73Å; F40-K116 PolarHBondContact N-O 2.82Å; K116-L130 HydrophobicContact CD-CD2 3.97Å |
| 117 | Y | 63 | Low | 60.2 | Low | 87 Ų | 87 | 60.8 Ų | 60.8 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.2 | 172.4 | -51 | -45.2 | 0 | 0 | 0 | 110.5 | F40 W65 Q100 G101 E103 L115 | F40-Y117 HydrophobicContact CB-CD1 4.49Å; F40-Y117 CarbonylContact O-C 3.55Å; F40-Y117 VanDerWaalsContact O-CA 3.31Å; F40-Y117 WeakPolarHBondContact O-CA 3.49Å; W65-Y117 HydrophobicContact CH2-CD1 4.39Å; W65-Y117 AromaticContact CZ2-CD1 3.77Å; W65-Y117 HydrophobicContact CZ2-CD1 3.77Å; W65-Y117 AromaticContact CZ2-CE1 3.68Å; W65-Y117 HydrophobicContact CZ2-CE1 3.68Å; Q100-Y117 HydrophobicContact CG-CD1 3.92Å; Q100-Y117 HydrophobicContact CG-CD2 4.11Å; Q100-Y117 HydrophobicContact CG-CE1 3.84Å; Q100-Y117 HydrophobicContact CG-CE2 4.03Å; Q100-Y117 HydrophobicContact CG-CG 4.06Å; G101-Y117 PolarHBondContact N-OH 3.15Å; E103-Y117 VanDerWaalsContact OE1-CE1 3.27Å; E103-Y117 WeakPolarHBondContact OE1-CE1 3.3Å; E103-Y117 VanDerWaalsContact OE1-CZ 3.27Å; E103-Y117 PolarHBondContact OE1-OH 3.43Å; E103-Y117 PolarHBondContact OE2-OH 2.9Å; L115-Y117 HydrophobicContact CB-CE1 4.37Å |
| 118 | K | 55.2 | Low | 58.6 | Low | 10 Ų | 10 | 63.9 Ų | 63.9 | 4% | 0.043 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.7 | -179.4 | -66.5 | -178.9 | 173.9 | 178.7 | 0 | 109.5 | D39 F40 Y41 V42 H128 V129 | D39-K118 HydrophobicContact CB-CD 4.17Å; D39-K118 VanDerWaalsContact CG-CE 3.47Å; D39-K118 VanDerWaalsContact CG-NZ 3.27Å; D39-K118 VanDerWaalsContact OD2-CE 3.26Å; D39-K118 WeakPolarHBondContact OD2-CE 3.34Å; D39-K118 IonicContact OD2-NZ 2.87Å; D39-K118 PolarHBondContact OD2-NZ 3.24Å; F40-K118 PolarHBondContact O-N 3.02Å; Y41-K118 CarbonylContact C-O 3.58Å; Y41-K118 WeakPolarHBondContact CA-O 3.42Å; Y41-K118 HydrophobicContact CD1-CB 3.57Å; Y41-K118 WeakPolarHBondContact CD1-O 3.14Å; Y41-K118 HydrophobicContact CE1-CB 3.59Å; Y41-K118 HydrophobicContact CE1-CD 4.32Å; Y41-K118 HydrophobicContact CE2-CD 4.32Å; Y41-K118 HydrophobicContact CG-CB 4.17Å; V42-K118 WeakPolarHBondContact CG2-O 3.39Å; V42-K118 PolarHBondContact N-O 3.07Å; K118-H128 PolarHBondContact NZ-ND1 2.92Å; K118-V129 WeakPolarHBondContact CD-O 3.23Å; K118-V129 WeakPolarHBondContact CE-O 3.35Å |
| 119 | A | 53.8 | Low | 57.4 | Low | 79 Ų | 79 | 66.8 Ų | 66.8 | 65% | 0.653 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -63.6 | 147.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y41 | Y41-A119 WeakPolarHBondContact CD1-O 3.27Å; Y41-A119 WeakPolarHBondContact CE1-O 3.2Å |
| 120 | G | 69.6 | Low | 56.1 | Low | 15 Ų | 15 | 68.4 Ų | 68.4 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | trans | 84.8 | -161.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y41 G43 S124 | Y41-G120 WeakPolarHBondContact CB-O 3.44Å; Y41-G120 WeakPolarHBondContact CD1-O 3.47Å; G43-G120 WeakPolarHBondContact CA-O 3.43Å; G43-G120 PolarHBondContact N-O 3.05Å; G120-S124 WeakPolarHBondContact CA-OG 3.06Å | ||
| 121 | G | 73.2 | Confident | 54.4 | Low | 2 Ų | 2 | 72.7 Ų | 72.7 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | trans | 169.4 | -170.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D44 A123 S124 G125 L126 | D44-G121 VanDerWaalsContact CG-CA 3.47Å; D44-G121 WeakPolarHBondContact OD1-CA 3.5Å; D44-G121 VanDerWaalsContact OD2-CA 3.3Å; D44-G121 WeakPolarHBondContact OD2-CA 3.47Å; G121-A123 VanDerWaalsContact C-N 3.27Å; G121-A123 PolarHBondContact O-N 2.91Å; G121-S124 PolarHBondContact N-OG 3.05Å; G121-S124 PolarHBondContact O-N 2.85Å; G121-S124 PolarHBondContact O-OG 2.9Å; G121-G125 PolarHBondContact O-N 3.34Å; G121-L126 PolarHBondContact O-N 2.65Å | ||
| 122 | V | 77.9 | Confident | 53 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 19% | 0.188 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -55.9 | -43.1 | -179.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | E25 K26 D44 S124 G125 | E25-V122 HydrophobicContact CB-CG2 4.07Å; E25-V122 HydrophobicContact CG-CG2 3.72Å; K26-V122 HydrophobicContact CG-CG1 4.37Å; D44-V122 PolarHBondContact OD1-N 3.4Å; V122-S124 PolarHBondContact O-N 2.89Å; V122-G125 PolarHBondContact O-N 2.85Å; V122-G125 VanDerWaalsContact O-N 3.13Å |
| 123 | A | 70.1 | Confident | 53.1 | Low | 98 Ų | 98 | 72.9 Ų | 72.9 | 81% | 0.81 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -61.7 | -26.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G121 | G121-A123 VanDerWaalsContact C-N 3.27Å; G121-A123 PolarHBondContact O-N 2.91Å |
| 124 | S | 56.3 | Low | 53.6 | Low | 64 Ų | 64 | 69 Ų | 69 | 45% | 0.448 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -93.7 | 0.2 | 178.8 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | G120 G121 V122 L126 | G120-S124 WeakPolarHBondContact CA-OG 3.06Å; G121-S124 PolarHBondContact N-OG 3.05Å; G121-S124 PolarHBondContact O-N 2.85Å; G121-S124 PolarHBondContact O-OG 2.9Å; V122-S124 PolarHBondContact O-N 2.89Å; S124-L126 VanDerWaalsContact C-N 3.26Å; S124-L126 PolarHBondContact O-N 2.83Å |
| 125 | G | 56.1 | Low | 54.3 | Low | 65 Ų | 65 | 73.5 Ų | 73.5 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 14.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | G121 V122 | G121-G125 PolarHBondContact O-N 3.34Å; V122-G125 PolarHBondContact O-N 2.85Å; V122-G125 VanDerWaalsContact O-N 3.13Å |
| 126 | L | 52.3 | Low | 54.9 | Low | 84 Ų | 84 | 73.6 Ų | 73.6 | 44% | 0.44 | 45% | 0.448 | S | S | . | . | trans | -90.5 | 131.6 | -176.8 | -70.3 | 172.8 | 0 | 0 | 0 | 112 | R23 Y41 G121 S124 | R23-L126 PolarHBondContact NH2-O 3.41Å; Y41-L126 HydrophobicContact CE1-CB 4.29Å; G121-L126 PolarHBondContact O-N 2.65Å; S124-L126 VanDerWaalsContact C-N 3.26Å; S124-L126 PolarHBondContact O-N 2.83Å | ||
| 127 | N | 57.9 | Low | 56 | Low | 116 Ų | 116 | 79.2 Ų | 79.2 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | trans | -115.8 | 154.2 | 165.9 | -75.1 | -31.4 | 0 | 0 | 0 | 109.9 | R23 Y41 V129 | R23-N127 PolarHBondContact NH1-OD1 3.13Å; Y41-N127 PolarHBondContact OH-O 3.23Å; Y41-N127 VanDerWaalsContact OH-O 3.13Å; N127-V129 PolarHBondContact O-N 2.84Å | ||
| 128 | H | 37.8 | Very low | 56.7 | Low | 65 Ų | 65 | 77.8 Ų | 77.8 | 30% | 0.301 | 47% | 0.466 | S | S | . | . | trans | -34.3 | 114.2 | -161.6 | -83.8 | -48.1 | 0 | 0 | 0 | 117.1 | A36 D39 Y41 K118 | A36-H128 WeakPolarHBondContact CB-NE2 3.44Å; D39-H128 VanDerWaalsContact CB-CE1 3.46Å; D39-H128 WeakPolarHBondContact CB-CE1 3.43Å; Y41-H128 AromaticContact CE2-CE1 3.97Å; Y41-H128 AromaticContact CE2-ND1 3.51Å; Y41-H128 WeakPolarHBondContact OH-CA 3.29Å; Y41-H128 PolarHBondContact OH-N 2.89Å; K118-H128 PolarHBondContact NZ-ND1 2.92Å | ||
| 129 | V | 32.5 | Very low | 57.9 | Low | 114 Ų | 114 | 77.3 Ų | 77.3 | 69% | 0.691 | 46% | 0.464 | S | S | * | . | trans | -139.3 | 145 | 160.8 | -176.3 | 0 | 0 | 0 | 0 | 110 | Y41 K118 N127 | Y41-V129 PolarHBondContact OH-N 3Å; K118-V129 WeakPolarHBondContact CD-O 3.23Å; K118-V129 WeakPolarHBondContact CE-O 3.35Å; N127-V129 PolarHBondContact O-N 2.84Å | ||
| 130 | L | 32.9 | Very low | 58.4 | Low | 108 Ų | 108 | 74.3 Ų | 74.3 | 57% | 0.565 | 44% | 0.437 | S | S | * | . | trans | -93.2 | 137.6 | -169.2 | -72.4 | 149.7 | 0 | 0 | 0 | 113.6 | K116 | K116-L130 HydrophobicContact CD-CD2 3.97Š| ||
| 131 | T | 37.1 | Very low | 58.9 | Low | 127 Ų | 127 | 75.3 Ų | 75.3 | 78% | 0.779 | 44% | 0.438 | S | S | * | . | trans | -153.1 | 159.1 | 155.8 | 45 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | N | 38.3 | Very low | 58.5 | Low | 97 Ų | 97 | 75.2 Ų | 75.2 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | trans | -119.7 | 142 | -170.3 | -76.1 | -52.8 | 0 | 0 | 0 | 112.2 | K203 R205 | N132-K203 PolarHBondContact OD1-NZ 3.46Å; N132-K203 VanDerWaalsContact OD1-NZ 3.07Å; N132-R205 VanDerWaalsContact CG-NH1 3.35Å; N132-R205 PolarHBondContact ND2-NH1 3.02Å; N132-R205 PolarHBondContact OD1-NH2 2.9Å | ||
| 133 | D | 49.7 | Very low | 57.5 | Low | 117 Ų | 117 | 76 Ų | 76 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | trans | -116.3 | 146 | 171.6 | -171.1 | 1.2 | 0 | 0 | 0 | 112.1 | T135 | D133-T135 WeakPolarHBondContact OD1-CG2 3.35Å; D133-T135 PolarHBondContact OD1-N 2.87Å; D133-T135 VanDerWaalsContact OD1-N 3.15Å; D133-T135 PolarHBondContact OD1-OG1 3.28Å | ||
| 134 | L | 55.3 | Low | 56.3 | Low | 70 Ų | 70 | 71.8 Ų | 71.8 | 37% | 0.366 | 40% | 0.403 | S | S | . | . | trans | -138.1 | 19.6 | -173.3 | -73.9 | 173.3 | 0 | 0 | 0 | 113.9 | ||||
| 135 | T | 58.5 | Low | 55.7 | Low | 113 Ų | 113 | 75.9 Ų | 75.9 | 69% | 0.693 | 41% | 0.409 | S | S | * | . | trans | -99.2 | 15 | -164.3 | 56.8 | 0 | 0 | 0 | 0 | 117.9 | D133 | D133-T135 WeakPolarHBondContact OD1-CG2 3.35Å; D133-T135 PolarHBondContact OD1-N 2.87Å; D133-T135 VanDerWaalsContact OD1-N 3.15Å; D133-T135 PolarHBondContact OD1-OG1 3.28Å | ||
| 136 | A | 66.5 | Low | 54.8 | Low | 29 Ų | 29 | 76.7 Ų | 76.7 | 24% | 0.24 | 39% | 0.392 | C | S | . | . | trans | -63.6 | 144.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L170 G171 R202 | A136-L170 CarbonylContact O-C 3.48Å; A136-L170 WeakPolarHBondContact O-CA 3.15Å; A136-G171 PolarHBondContact O-N 3.13Å; A136-G171 VanDerWaalsContact O-N 3.11Å; A136-R202 VanDerWaalsContact CB-NH2 3.26Å | ||
| 137 | K | 81.4 | Confident | 54.1 | Low | 173 Ų | 173 | 76.8 Ų | 76.8 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | trans | -146.7 | 102.2 | 170.8 | -71.4 | -172.5 | -179.6 | -178.7 | 0 | 111.2 | D169 | K137-D169 CarbonylContact C-O 3.58Å; K137-D169 WeakPolarHBondContact CA-O 2.91Å | ||
| 138 | R | 77.6 | Confident | 53.3 | Low | 57 Ų | 57 | 72.2 Ų | 72.2 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 164.5 | -178.9 | 60.9 | -175.1 | 176.2 | 175.3 | 4.6 | 113.6 | E152 D169 E201 | R138-E152 HydrophobicContact CB-CG 4.44Å; R138-E152 VanDerWaalsContact CB-OE1 3.32Å; R138-E152 WeakPolarHBondContact CB-OE1 3.36Å; R138-D169 HydrophobicContact CG-CB 3.8Å; R138-D169 IonicContact CZ-OD2 3.05Å; R138-D169 PolarHBondContact N-O 2.7Å; R138-D169 IonicContact NE-OD2 3.43Å; R138-D169 PolarHBondContact NE-OD2 3.02Å; R138-D169 IonicContact NH2-OD2 2.72Å; R138-D169 PolarHBondContact NH2-OD2 2.97Å; R138-D169 PolarHBondContact O-N 3.35Å; R138-E201 IonicContact CZ-OE1 3.32Å; R138-E201 IonicContact CZ-OE2 2.67Å; R138-E201 IonicContact NH1-OE1 2.85Å; R138-E201 IonicContact NH2-OE1 2.92Å; R138-E201 PolarHBondContact NH2-OE1 2.71Å; R138-E201 IonicContact NH2-OE2 2.96Å; R138-E201 PolarHBondContact NH2-OE2 3.46Å |
| 139 | L | 81.7 | Confident | 53.6 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.6 | 174.4 | -177.9 | 64.2 | 0 | 0 | 0 | 110.2 | E152 V153 P154 L155 F160 F166 I167 I168 | L139-E152 WeakPolarHBondContact O-CA 3.3Å; L139-V153 HydrophobicContact CB-CG2 4.11Å; L139-V153 HydrophobicContact CD2-CG2 3.67Å; L139-V153 HydrophobicContact CG-CG2 3.63Å; L139-V153 PolarHBondContact O-N 3.49Å; L139-P154 VanDerWaalsContact CD2-O 3.25Å; L139-P154 WeakPolarHBondContact CD2-O 3.29Å; L139-L155 HydrophobicContact CB-CB 4.2Å; L139-L155 HydrophobicContact CB-CD1 3.77Å; L139-L155 HydrophobicContact CD1-CD1 4.45Å; L139-F160 HydrophobicContact CD1-CE1 4.49Å; L139-F160 HydrophobicContact CD1-CE2 4Å; L139-F160 HydrophobicContact CD1-CZ 3.63Å; L139-F160 HydrophobicContact CD2-CD2 4.11Å; L139-F160 HydrophobicContact CD2-CE2 3.43Å; L139-F160 VanDerWaalsContact CD2-CE2 3.43Å; L139-F160 HydrophobicContact CD2-CZ 3.96Å; L139-F160 HydrophobicContact CG-CE2 4.42Å; L139-F166 HydrophobicContact CD1-CB 4.07Å; L139-F166 HydrophobicContact CD1-CD1 4.37Å; L139-F166 HydrophobicContact CD2-CD1 4.4Å; L139-F166 HydrophobicContact CG-CD1 4.42Å; L139-I167 CarbonylContact C-O 3.46Å; L139-I167 WeakPolarHBondContact CA-O 3.31Å; L139-I168 HydrophobicContact CD1-CB 4.44Å; L139-I168 HydrophobicContact CD1-CG1 3.6Å |
| 140 | L | 64.4 | Low | 54.3 | Low | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.2 | 171.7 | -50.4 | 175.1 | 0 | 0 | 0 | 109.9 | A150 T151 E152 F166 I167 V193 I197 | L140-A150 HydrophobicContact CB-CB 4.34Å; L140-A150 HydrophobicContact CD1-CB 4.41Å; L140-T151 CarbonylContact C-O 3.49Å; L140-T151 WeakPolarHBondContact CA-O 3.49Å; L140-E152 HydrophobicContact CD2-CB 3.79Å; L140-E152 HydrophobicContact CD2-CG 4.15Å; L140-F166 CarbonylContact O-C 3.53Å; L140-F166 WeakPolarHBondContact O-CA 3.49Å; L140-I167 HydrophobicContact CB-CB 4.13Å; L140-I167 HydrophobicContact CD1-CB 4.38Å; L140-I167 HydrophobicContact CD1-CD1 4.37Å; L140-I167 PolarHBondContact N-O 2.78Å; L140-I167 PolarHBondContact O-N 2.9Å; L140-V193 HydrophobicContact CD1-CG1 4.19Å; L140-I197 HydrophobicContact CD1-CD1 3.7Å |
| 141 | H | 78.7 | Confident | 55 | Low | 35 Ų | 35 | 69.2 Ų | 69.2 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.9 | 170.5 | -179.9 | -160.9 | 0 | 0 | 0 | 109.5 | A150 T151 V153 D164 F166 | H141-A150 CarbonylContact O-C 3.54Å; H141-A150 VanDerWaalsContact O-CA 3.3Å; H141-A150 WeakPolarHBondContact O-CA 3.37Å; H141-T151 PolarHBondContact N-O 3.38Å; H141-T151 PolarHBondContact O-N 2.94Å; H141-V153 HydrophobicContact CB-CB 4.45Å; H141-V153 HydrophobicContact CB-CG1 3.72Å; H141-V153 HydrophobicContact CB-CG2 3.82Å; H141-D164 IonicContact CD2-OD2 2.9Å; H141-D164 IonicContact CE1-OD2 2.76Å; H141-D164 PolarHBondContact CE1-OD2 3.45Å; H141-D164 WeakPolarHBondContact NE2-CB 3.48Å; H141-D164 IonicContact NE2-OD2 3.02Å; H141-D164 PolarHBondContact NE2-OD2 2.97Å; H141-F166 HydrophobicContact CB-CD1 3.95Å; H141-F166 HydrophobicContact CB-CE1 3.66Å; H141-F166 AromaticContact CD2-CD1 3.91Å; H141-F166 AromaticContact CD2-CE1 3.19Å; H141-F166 WeakPolarHBondContact CD2-CE1 3.38Å; H141-F166 AromaticContact CD2-CZ 3.25Å; H141-F166 WeakPolarHBondContact CD2-CZ 3.39Å; H141-F166 AromaticContact CG-CE1 3.5Å; H141-F166 AromaticContact CG-CZ 3.98Å; H141-F166 AromaticContact NE2-CE1 3.91Å; H141-F166 AromaticContact NE2-CZ 3.57Å |
| 142 | V | 64.9 | Low | 55.9 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 101.2 | -178.7 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | V148 R149 A150 C165 I167 K189 A190 | V142-V148 HydrophobicContact CG1-CG1 3.36Å; V142-R149 VanDerWaalsContact CA-O 3.31Å; V142-R149 WeakPolarHBondContact CA-O 3.16Å; V142-A150 HydrophobicContact CG2-CB 4.04Å; V142-C165 WeakPolarHBondContact CA-O 3.48Å; V142-C165 HydrophobicContact CB-CB 3.97Å; V142-C165 WeakPolarHBondContact CB-O 3.38Å; V142-C165 HydrophobicContact CG1-CB 4.42Å; V142-C165 PolarHBondContact N-O 2.83Å; V142-C165 PolarHBondContact O-N 3.39Å; V142-I167 HydrophobicContact CG2-CD1 3.82Å; V142-I167 HydrophobicContact CG2-CG1 3.97Å; V142-K189 HydrophobicContact CG1-CB 4.33Å; V142-K189 HydrophobicContact CG1-CG 4.36Å; V142-A190 HydrophobicContact CB-CB 4.2Å; V142-A190 HydrophobicContact CG1-CB 3.99Å; V142-A190 HydrophobicContact CG2-CB 4.08Å |
| 143 | K | 57.5 | Low | 57.1 | Low | 48 Ų | 48 | 66 Ų | 66 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 147.7 | -173.6 | -175.9 | 167.4 | -170.8 | 54.6 | 0 | 112.3 | V148 R149 D164 D238 | K143-V148 WeakPolarHBondContact O-CA 3.43Å; K143-R149 PolarHBondContact N-O 2.78Å; K143-R149 PolarHBondContact O-N 2.92Å; K143-D164 WeakPolarHBondContact CD-OD2 3.18Å; K143-D164 IonicContact NZ-OD1 3.88Å; K143-D164 PolarHBondContact NZ-OD1 3.45Å; K143-D164 IonicContact NZ-OD2 2.79Å; K143-D164 PolarHBondContact NZ-OD2 3.08Å; K143-D238 WeakPolarHBondContact CE-OD1 3.5Å; K143-D238 IonicContact NZ-OD1 3.86Å; K143-D238 PolarHBondContact NZ-OD1 3.11Å |
| 144 | G | 45.1 | Very low | 58.5 | Low | 9 Ų | 9 | 64.9 Ų | 64.9 | 9% | 0.093 | 33% | 0.33 | C | S | . | . | trans | 127.6 | 138.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.7 | V148 E186 | G144-V148 WeakPolarHBondContact O-CG2 3.21Å; G144-E186 PolarHBondContact N-OE1 3.11Å | ||
| 145 | R | 42.5 | Very low | 59.9 | Low | 151 Ų | 151 | 64.5 Ų | 64.5 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -78.6 | -30.5 | -174.4 | -168.8 | 171 | 174.7 | 174.7 | -0.9 | 114.4 | ||
| 146 | R | 38.7 | Very low | 61.4 | Low | 81 Ų | 81 | 60.8 Ų | 60.8 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -125.7 | -36.5 | -168 | -68 | 147 | 159.2 | -169.2 | -1 | 113.2 | D242 N621 K622 T623 G624 | R146-D242 WeakPolarHBondContact CD-OD2 3.34Å; R146-D242 IonicContact NH1-OD2 3.32Å; R146-N621 VanDerWaalsContact CZ-O 3.27Å; R146-N621 PolarHBondContact NH2-O 2.99Å; R146-K622 VanDerWaalsContact CZ-O 3.3Å; R146-K622 PolarHBondContact NE-O 2.83Å; R146-K622 PolarHBondContact NH2-O 2.79Å; R146-T623 WeakPolarHBondContact CB-O 3.29Å; R146-T623 WeakPolarHBondContact CD-O 3.28Å; R146-T623 WeakPolarHBondContact CG-O 3.29Å; R146-T623 VanDerWaalsContact NE-C 3.32Å; R146-G624 PolarHBondContact NH1-O 2.91Å |
| 147 | V | 37 | Very low | 62.6 | Low | 87 Ų | 87 | 60 Ų | 60 | 53% | 0.527 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -123.8 | 85.7 | 167.3 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | R149 | V147-R149 HydrophobicContact CG1-CG 4.37Å; V147-R149 PolarHBondContact O-N 3.23Å |
| 148 | V | 40.2 | Very low | 63 | Low | 19 Ų | 19 | 58.8 Ų | 58.8 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | trans | -70 | 121.4 | -178.8 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | V142 K143 G144 E186 K189 | V142-V148 HydrophobicContact CG1-CG1 3.36Å; K143-V148 WeakPolarHBondContact O-CA 3.43Å; G144-V148 WeakPolarHBondContact O-CG2 3.21Å; V148-E186 HydrophobicContact CG1-CG 4.08Å; V148-E186 HydrophobicContact CG2-CG 4.38Å; V148-K189 HydrophobicContact CB-CB 3.64Å; V148-K189 HydrophobicContact CB-CD 4.34Å; V148-K189 HydrophobicContact CB-CG 3.62Å; V148-K189 HydrophobicContact CG1-CB 3.52Å; V148-K189 HydrophobicContact CG1-CG 3.6Å; V148-K189 HydrophobicContact CG2-CB 4.05Å; V148-K189 WeakPolarHBondContact O-CE 3.4Å | ||
| 149 | R | 45.2 | Very low | 63.3 | Low | 104 Ų | 104 | 57.4 Ų | 57.4 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.5 | 178.5 | -66.9 | -176.7 | -178.2 | 155 | 2.6 | 110.9 | V142 K143 V147 N245 | V142-R149 VanDerWaalsContact CA-O 3.31Å; V142-R149 WeakPolarHBondContact CA-O 3.16Å; K143-R149 PolarHBondContact N-O 2.78Å; K143-R149 PolarHBondContact O-N 2.92Å; V147-R149 HydrophobicContact CG1-CG 4.37Å; V147-R149 PolarHBondContact O-N 3.23Å; R149-N245 PolarHBondContact NH1-ND2 2.97Å; R149-N245 PolarHBondContact NH1-OD1 2.71Å; R149-N245 PolarHBondContact NH2-OD1 3.07Å |
| 150 | A | 47 | Very low | 63.8 | Low | 39 Ų | 39 | 57.6 Ų | 57.6 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | L140 H141 V142 V193 | L140-A150 HydrophobicContact CB-CB 4.34Å; L140-A150 HydrophobicContact CD1-CB 4.41Å; H141-A150 CarbonylContact O-C 3.54Å; H141-A150 VanDerWaalsContact O-CA 3.3Å; H141-A150 WeakPolarHBondContact O-CA 3.37Å; V142-A150 HydrophobicContact CG2-CB 4.04Å; A150-V193 HydrophobicContact CB-CG1 3.93Å; A150-V193 HydrophobicContact CB-CG2 4.19Å |
| 151 | T | 48 | Very low | 65.1 | Low | 82 Ų | 82 | 57.9 Ų | 57.9 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.9 | -179.3 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | L140 H141 V153 | L140-T151 CarbonylContact C-O 3.49Å; L140-T151 WeakPolarHBondContact CA-O 3.49Å; H141-T151 PolarHBondContact N-O 3.38Å; H141-T151 PolarHBondContact O-N 2.94Å; T151-V153 PolarHBondContact O-N 2.93Å |
| 152 | E | 55 | Low | 65.6 | Low | 124 Ų | 124 | 58.1 Ų | 58.1 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.8 | 175.7 | -167.5 | 169.2 | 175.5 | 0 | 0 | 110.8 | R138 L139 L140 | R138-E152 HydrophobicContact CB-CG 4.44Å; R138-E152 VanDerWaalsContact CB-OE1 3.32Å; R138-E152 WeakPolarHBondContact CB-OE1 3.36Å; L139-E152 WeakPolarHBondContact O-CA 3.3Å; L140-E152 HydrophobicContact CD2-CB 3.79Å; L140-E152 HydrophobicContact CD2-CG 4.15Å |
| 153 | V | 64.8 | Low | 66.5 | Low | 32 Ų | 32 | 58.7 Ų | 58.7 | 19% | 0.194 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 163.5 | -178.3 | -68.2 | 0 | 0 | 0 | 0 | 109.4 | L139 H141 T151 L155 | L139-V153 HydrophobicContact CB-CG2 4.11Å; L139-V153 HydrophobicContact CD2-CG2 3.67Å; L139-V153 HydrophobicContact CG-CG2 3.63Å; L139-V153 PolarHBondContact O-N 3.49Å; H141-V153 HydrophobicContact CB-CB 4.45Å; H141-V153 HydrophobicContact CB-CG1 3.72Å; H141-V153 HydrophobicContact CB-CG2 3.82Å; T151-V153 PolarHBondContact O-N 2.93Å; V153-L155 PolarHBondContact O-N 2.83Å |
| 154 | P | 77.8 | Confident | 67.8 | Low | 94 Ų | 94 | 56.5 Ų | 56.5 | 61% | 0.61 | 30% | 0.298 | S | S | * | . | trans | -55.6 | 134.3 | 177.4 | -26.1 | 35.9 | 0 | 0 | 0 | 112.3 | L139 S156 S159 | L139-P154 VanDerWaalsContact CD2-O 3.25Å; L139-P154 WeakPolarHBondContact CD2-O 3.29Å; P154-S156 PolarHBondContact O-N 3.09Å; P154-S159 PolarHBondContact O-OG 2.85Å | ||
| 155 | L | 85.8 | Confident | 69.9 | Low | 61 Ų | 61 | 56.1 Ų | 56.1 | 32% | 0.319 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -73.1 | 71.6 | 176.8 | -175.9 | 65.8 | 0 | 0 | 0 | 110.9 | L139 V153 I168 L170 V223 L224 | L139-L155 HydrophobicContact CB-CB 4.2Å; L139-L155 HydrophobicContact CB-CD1 3.77Å; L139-L155 HydrophobicContact CD1-CD1 4.45Å; V153-L155 PolarHBondContact O-N 2.83Å; L155-I168 HydrophobicContact CD1-CG2 3.74Å; L155-L170 HydrophobicContact CD2-CD2 4.46Å; L155-V223 HydrophobicContact CD2-CG1 4.18Å; L155-L224 HydrophobicContact CD1-CD2 3.67Å; L155-L224 HydrophobicContact CG-CD2 3.87Å |
| 156 | S | 88.9 | Confident | 72.3 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -145 | 152.1 | -178.9 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | P154 D158 S159 F160 | P154-S156 PolarHBondContact O-N 3.09Å; S156-D158 PolarHBondContact O-N 2.6Å; S156-D158 PolarHBondContact OG-N 2.78Å; S156-D158 PolarHBondContact OG-OD2 2.8Å; S156-S159 PolarHBondContact O-N 3.37Å; S156-S159 VanDerWaalsContact O-N 3.11Å; S156-F160 VanDerWaalsContact O-CD2 3.3Å; S156-F160 WeakPolarHBondContact O-CD2 3.47Å |
| 157 | W | 92.7 | Very high | 74.6 | Confident | 11 Ų | 11 | 45 Ų | 45 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -57.9 | -25.9 | 171.6 | -77.6 | 123.5 | 0 | 0 | 0 | 113.4 | S159 F160 W177 E216 I221 L224 G225 K227 P228 L230 | W157-S159 PolarHBondContact O-N 2.82Å; W157-S159 VanDerWaalsContact O-N 3.09Å; W157-F160 HydrophobicContact CE3-CB 4.04Å; W157-F160 HydrophobicContact CE3-CD1 4.13Å; W157-F160 AromaticContact CE3-CD2 3.67Å; W157-F160 HydrophobicContact CE3-CD2 3.67Å; W157-F160 HydrophobicContact CE3-CE1 4.5Å; W157-F160 HydrophobicContact CE3-CE2 4.06Å; W157-F160 AromaticContact CE3-CG 3.69Å; W157-F160 HydrophobicContact CE3-CG 3.69Å; W157-F160 HydrophobicContact CE3-CZ 4.46Å; W157-F160 HydrophobicContact CZ3-CB 4.4Å; W157-F160 AromaticContact CZ3-CD1 3.77Å; W157-F160 HydrophobicContact CZ3-CD1 3.77Å; W157-F160 HydrophobicContact CZ3-CD2 4.08Å; W157-F160 AromaticContact CZ3-CE1 3.95Å; W157-F160 HydrophobicContact CZ3-CE1 3.95Å; W157-F160 HydrophobicContact CZ3-CE2 4.24Å; W157-F160 AromaticContact CZ3-CG 3.84Å; W157-F160 HydrophobicContact CZ3-CG 3.84Å; W157-F160 HydrophobicContact CZ3-CZ 4.17Å; W157-F160 PolarHBondContact O-N 3.06Å; W157-W177 HydrophobicContact CZ3-CZ2 4.46Å; W157-E216 HydrophobicContact CH2-CG 4.1Å; W157-I221 HydrophobicContact CZ2-CD1 4.14Å; W157-L224 HydrophobicContact CD2-CB 4.31Å; W157-L224 HydrophobicContact CD2-CD1 4.41Å; W157-L224 HydrophobicContact CG-CB 4.43Å; W157-L224 HydrophobicContact CH2-CD1 4.02Å; W157-L224 HydrophobicContact CZ2-CB 4.07Å; W157-L224 HydrophobicContact CZ2-CD1 3.84Å; W157-L224 HydrophobicContact CZ3-CD1 4.39Å; W157-L224 PolarHBondContact NE1-O 2.87Å; W157-G225 PolarHBondContact NE1-O 3.39Å; W157-K227 HydrophobicContact CD2-CB 4.49Å; W157-K227 HydrophobicContact CD2-CG 4.17Å; W157-K227 HydrophobicContact CE3-CG 4.15Å; W157-K227 HydrophobicContact CH2-CB 4.37Å; W157-K227 HydrophobicContact CH2-CD 3.89Å; W157-K227 HydrophobicContact CH2-CG 3.94Å; W157-K227 HydrophobicContact CZ2-CB 3.87Å; W157-K227 HydrophobicContact CZ2-CD 4.26Å; W157-K227 HydrophobicContact CZ2-CG 3.93Å; W157-K227 HydrophobicContact CZ3-CD 4.11Å; W157-K227 HydrophobicContact CZ3-CG 4.05Å; W157-P228 HydrophobicContact CB-CG 3.85Å; W157-P228 VanDerWaalsContact CG-CD 3.48Å; W157-P228 HydrophobicContact CG-CG 4.29Å; W157-L230 HydrophobicContact CE3-CD2 4.2Å |
| 158 | D | 88.7 | Confident | 77.4 | Confident | 148 Ų | 148 | 40.9 Ų | 40.9 | 79% | 0.791 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62.7 | -17 | 176.8 | -52.9 | -49.4 | 0 | 0 | 0 | 113.4 | S156 | S156-D158 PolarHBondContact O-N 2.6Å; S156-D158 PolarHBondContact OG-N 2.78Å; S156-D158 PolarHBondContact OG-OD2 2.8Å |
| 159 | S | 85.2 | Confident | 79.5 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -88.5 | -12 | 176.8 | -60 | 0 | 0 | 0 | 0 | 113.4 | P154 S156 W157 F166 | P154-S159 PolarHBondContact O-OG 2.85Å; S156-S159 PolarHBondContact O-N 3.37Å; S156-S159 VanDerWaalsContact O-N 3.11Å; W157-S159 PolarHBondContact O-N 2.82Å; W157-S159 VanDerWaalsContact O-N 3.09Å; S159-F166 WeakPolarHBondContact O-CE1 3.39Å; S159-F166 WeakPolarHBondContact O-CZ 3.45Å |
| 160 | F | 92.4 | Very high | 81.5 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | trans | -88.8 | 151 | -175 | -73.1 | -107.3 | 0 | 0 | 0 | 112 | L139 S156 W157 F166 I168 W177 L224 L230 | L139-F160 HydrophobicContact CD1-CE1 4.49Å; L139-F160 HydrophobicContact CD1-CE2 4Å; L139-F160 HydrophobicContact CD1-CZ 3.63Å; L139-F160 HydrophobicContact CD2-CD2 4.11Å; L139-F160 HydrophobicContact CD2-CE2 3.43Å; L139-F160 VanDerWaalsContact CD2-CE2 3.43Å; L139-F160 HydrophobicContact CD2-CZ 3.96Å; L139-F160 HydrophobicContact CG-CE2 4.42Å; S156-F160 VanDerWaalsContact O-CD2 3.3Å; S156-F160 WeakPolarHBondContact O-CD2 3.47Å; W157-F160 HydrophobicContact CE3-CB 4.04Å; W157-F160 HydrophobicContact CE3-CD1 4.13Å; W157-F160 AromaticContact CE3-CD2 3.67Å; W157-F160 HydrophobicContact CE3-CD2 3.67Å; W157-F160 HydrophobicContact CE3-CE1 4.5Å; W157-F160 HydrophobicContact CE3-CE2 4.06Å; W157-F160 AromaticContact CE3-CG 3.69Å; W157-F160 HydrophobicContact CE3-CG 3.69Å; W157-F160 HydrophobicContact CE3-CZ 4.46Å; W157-F160 HydrophobicContact CZ3-CB 4.4Å; W157-F160 AromaticContact CZ3-CD1 3.77Å; W157-F160 HydrophobicContact CZ3-CD1 3.77Å; W157-F160 HydrophobicContact CZ3-CD2 4.08Å; W157-F160 AromaticContact CZ3-CE1 3.95Å; W157-F160 HydrophobicContact CZ3-CE1 3.95Å; W157-F160 HydrophobicContact CZ3-CE2 4.24Å; W157-F160 AromaticContact CZ3-CG 3.84Å; W157-F160 HydrophobicContact CZ3-CG 3.84Å; W157-F160 HydrophobicContact CZ3-CZ 4.17Å; W157-F160 PolarHBondContact O-N 3.06Å; F160-F166 HydrophobicContact CB-CE2 4.42Å; F160-F166 HydrophobicContact CD1-CB 4.17Å; F160-F166 HydrophobicContact CD1-CD1 4.35Å; F160-F166 AromaticContact CD1-CD2 3.66Å; F160-F166 HydrophobicContact CD1-CD2 3.66Å; F160-F166 HydrophobicContact CD1-CE2 4.15Å; F160-F166 AromaticContact CD1-CG 3.79Å; F160-F166 HydrophobicContact CD1-CG 3.79Å; F160-F166 HydrophobicContact CE1-CB 3.66Å; F160-F166 HydrophobicContact CE1-CD1 4.42Å; F160-F166 HydrophobicContact CE1-CD2 4.07Å; F160-F166 AromaticContact CE1-CG 3.8Å; F160-F166 HydrophobicContact CE1-CG 3.8Å; F160-F166 HydrophobicContact CG-CD2 4.35Å; F160-F166 HydrophobicContact CG-CE2 4.46Å; F160-F166 HydrophobicContact CG-CG 4.43Å; F160-F166 HydrophobicContact CZ-CB 4.23Å; F160-F166 HydrophobicContact CZ-CG 4.44Å; F160-I168 HydrophobicContact CE1-CD1 4.37Å; F160-I168 HydrophobicContact CZ-CD1 4.12Å; F160-I168 HydrophobicContact CZ-CG1 4.08Å; F160-W177 AromaticContact CD1-CD2 3.81Å; F160-W177 HydrophobicContact CD1-CD2 3.81Å; F160-W177 AromaticContact CD1-CE3 3.54Å; F160-W177 HydrophobicContact CD1-CE3 3.54Å; F160-W177 HydrophobicContact CD1-CG 4.47Å; F160-W177 HydrophobicContact CD1-CH2 4.18Å; F160-W177 HydrophobicContact CD1-CZ2 4.42Å; F160-W177 AromaticContact CD1-CZ3 3.74Å; F160-W177 HydrophobicContact CD1-CZ3 3.74Å; F160-W177 HydrophobicContact CE1-CB 4.15Å; F160-W177 AromaticContact CE1-CD2 3.76Å; F160-W177 HydrophobicContact CE1-CD2 3.76Å; F160-W177 AromaticContact CE1-CE3 3.81Å; F160-W177 HydrophobicContact CE1-CE3 3.81Å; F160-W177 AromaticContact CE1-CG 3.94Å; F160-W177 HydrophobicContact CE1-CG 3.94Å; F160-W177 HydrophobicContact CE1-CZ3 4.46Å; F160-L224 HydrophobicContact CE2-CD1 4.01Å; F160-L224 HydrophobicContact CE2-CD2 4.47Å; F160-L224 HydrophobicContact CZ-CD1 3.89Å; F160-L230 HydrophobicContact CB-CD1 3.98Å; F160-L230 HydrophobicContact CB-CD2 3.85Å | ||
| 161 | N | 90.4 | Very high | 83.2 | Confident | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | trans | -143.7 | 166.8 | 167.9 | 67.1 | 65.4 | 0 | 0 | 0 | 109.6 | G163 D164 W177 P231 | N161-G163 VanDerWaalsContact C-N 3.33Å; N161-G163 WeakPolarHBondContact OD1-CA 3.44Å; N161-G163 PolarHBondContact OD1-N 2.82Å; N161-D164 PolarHBondContact ND2-OD2 3.41Å; N161-D164 WeakPolarHBondContact OD1-CB 3.36Å; N161-D164 PolarHBondContact OD1-N 2.85Å; N161-D164 PolarHBondContact OD1-OD2 2.77Å; N161-W177 WeakPolarHBondContact O-CZ3 3.32Å; N161-P231 WeakPolarHBondContact CA-O 3.45Å; N161-P231 HydrophobicContact CB-CG 4.17Å | ||
| 162 | K | 89.5 | Confident | 84.9 | Confident | 39 Ų | 39 | 34.6 Ų | 34.6 | 17% | 0.17 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -21.7 | -178.1 | -60.5 | -173.5 | -168.6 | 138.9 | 0 | 114 | G179 S180 S181 C182 E213 L230 P231 D232 | K162-G179 CarbonylContact O-C 3.43Å; K162-G179 WeakPolarHBondContact O-CA 3.49Å; K162-S180 PolarHBondContact O-N 2.81Å; K162-S181 PolarHBondContact O-N 2.8Å; K162-S181 PolarHBondContact O-OG 3.48Å; K162-C182 PolarHBondContact O-N 3.46Å; K162-E213 WeakPolarHBondContact CG-OE2 3.48Å; K162-L230 WeakPolarHBondContact CE-O 3.33Å; K162-L230 HydrophobicContact CG-CB 4.07Å; K162-L230 PolarHBondContact NZ-O 2.74Å; K162-P231 PolarHBondContact N-O 3.21Å; K162-D232 WeakPolarHBondContact CD-OD1 3.16Å; K162-D232 IonicContact NZ-OD1 2.99Å; K162-D232 PolarHBondContact NZ-OD1 2.79Å |
| 163 | G | 83.4 | Confident | 86.6 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N161 S181 C182 | N161-G163 VanDerWaalsContact C-N 3.33Å; N161-G163 WeakPolarHBondContact OD1-CA 3.44Å; N161-G163 PolarHBondContact OD1-N 2.82Å; G163-S181 WeakPolarHBondContact CA-OG 3.34Å; G163-S181 PolarHBondContact N-OG 3.24Å; G163-C182 WeakPolarHBondContact O-CA 3.35Å; G163-C182 WeakPolarHBondContact O-CB 3.33Å |
| 164 | D | 86.5 | Confident | 87.8 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -123.7 | 173.4 | -174.1 | -60.2 | -38.9 | 0 | 0 | 0 | 112.7 | H141 K143 N161 F166 G179 C182 | H141-D164 IonicContact CD2-OD2 2.9Å; H141-D164 IonicContact CE1-OD2 2.76Å; H141-D164 PolarHBondContact CE1-OD2 3.45Å; H141-D164 WeakPolarHBondContact NE2-CB 3.48Å; H141-D164 IonicContact NE2-OD2 3.02Å; H141-D164 PolarHBondContact NE2-OD2 2.97Å; K143-D164 WeakPolarHBondContact CD-OD2 3.18Å; K143-D164 IonicContact NZ-OD1 3.88Å; K143-D164 PolarHBondContact NZ-OD1 3.45Å; K143-D164 IonicContact NZ-OD2 2.79Å; K143-D164 PolarHBondContact NZ-OD2 3.08Å; N161-D164 PolarHBondContact ND2-OD2 3.41Å; N161-D164 WeakPolarHBondContact OD1-CB 3.36Å; N161-D164 PolarHBondContact OD1-N 2.85Å; N161-D164 PolarHBondContact OD1-OD2 2.77Å; D164-F166 HydrophobicContact CB-CE2 3.95Å; D164-F166 HydrophobicContact CB-CZ 4.31Å; D164-G179 PolarHBondContact O-N 2.98Å; D164-G179 VanDerWaalsContact O-N 3.11Å; D164-C182 WeakPolarHBondContact O-CB 3.35Å |
| 165 | C | 88.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 152.5 | 170.8 | -74.9 | 0 | 0 | 0 | 0 | 111.2 | V142 W177 E186 A190 | V142-C165 WeakPolarHBondContact CA-O 3.48Å; V142-C165 HydrophobicContact CB-CB 3.97Å; V142-C165 WeakPolarHBondContact CB-O 3.38Å; V142-C165 HydrophobicContact CG1-CB 4.42Å; V142-C165 PolarHBondContact N-O 2.83Å; V142-C165 PolarHBondContact O-N 3.39Å; C165-W177 WeakPolarHBondContact CA-O 3.31Å; C165-E186 HydrophobicContact CB-CB 4.39Å; C165-A190 HydrophobicContact CB-CB 3.62Å |
| 166 | F | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.1 | 178.2 | -65 | -95.7 | 0 | 0 | 0 | 111 | L139 L140 H141 S159 F160 D164 Q176 W177 | L139-F166 HydrophobicContact CD1-CB 4.07Å; L139-F166 HydrophobicContact CD1-CD1 4.37Å; L139-F166 HydrophobicContact CD2-CD1 4.4Å; L139-F166 HydrophobicContact CG-CD1 4.42Å; L140-F166 CarbonylContact O-C 3.53Å; L140-F166 WeakPolarHBondContact O-CA 3.49Å; H141-F166 HydrophobicContact CB-CD1 3.95Å; H141-F166 HydrophobicContact CB-CE1 3.66Å; H141-F166 AromaticContact CD2-CD1 3.91Å; H141-F166 AromaticContact CD2-CE1 3.19Å; H141-F166 WeakPolarHBondContact CD2-CE1 3.38Å; H141-F166 AromaticContact CD2-CZ 3.25Å; H141-F166 WeakPolarHBondContact CD2-CZ 3.39Å; H141-F166 AromaticContact CG-CE1 3.5Å; H141-F166 AromaticContact CG-CZ 3.98Å; H141-F166 AromaticContact NE2-CE1 3.91Å; H141-F166 AromaticContact NE2-CZ 3.57Å; S159-F166 WeakPolarHBondContact O-CE1 3.39Å; S159-F166 WeakPolarHBondContact O-CZ 3.45Å; F160-F166 HydrophobicContact CB-CE2 4.42Å; F160-F166 HydrophobicContact CD1-CB 4.17Å; F160-F166 HydrophobicContact CD1-CD1 4.35Å; F160-F166 AromaticContact CD1-CD2 3.66Å; F160-F166 HydrophobicContact CD1-CD2 3.66Å; F160-F166 HydrophobicContact CD1-CE2 4.15Å; F160-F166 AromaticContact CD1-CG 3.79Å; F160-F166 HydrophobicContact CD1-CG 3.79Å; F160-F166 HydrophobicContact CE1-CB 3.66Å; F160-F166 HydrophobicContact CE1-CD1 4.42Å; F160-F166 HydrophobicContact CE1-CD2 4.07Å; F160-F166 AromaticContact CE1-CG 3.8Å; F160-F166 HydrophobicContact CE1-CG 3.8Å; F160-F166 HydrophobicContact CG-CD2 4.35Å; F160-F166 HydrophobicContact CG-CE2 4.46Å; F160-F166 HydrophobicContact CG-CG 4.43Å; F160-F166 HydrophobicContact CZ-CB 4.23Å; F160-F166 HydrophobicContact CZ-CG 4.44Å; D164-F166 HydrophobicContact CB-CE2 3.95Å; D164-F166 HydrophobicContact CB-CZ 4.31Å; F166-Q176 CarbonylContact O-C 3.07Å; F166-W177 AromaticContact CD2-CE3 3.78Å; F166-W177 HydrophobicContact CD2-CE3 3.78Å; F166-W177 AromaticContact CD2-CZ3 3.95Å; F166-W177 HydrophobicContact CD2-CZ3 3.95Å; F166-W177 HydrophobicContact CE2-CZ3 4.31Å; F166-W177 PolarHBondContact N-O 3.2Å; F166-W177 PolarHBondContact O-N 2.73Å |
| 167 | I | 88.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 112 | 175.7 | -55.4 | 168.2 | 0 | 0 | 0 | 108.6 | L139 L140 V142 I174 Y175 V193 A194 I197 | L139-I167 CarbonylContact C-O 3.46Å; L139-I167 WeakPolarHBondContact CA-O 3.31Å; L140-I167 HydrophobicContact CB-CB 4.13Å; L140-I167 HydrophobicContact CD1-CB 4.38Å; L140-I167 HydrophobicContact CD1-CD1 4.37Å; L140-I167 PolarHBondContact N-O 2.78Å; L140-I167 PolarHBondContact O-N 2.9Å; V142-I167 HydrophobicContact CG2-CD1 3.82Å; V142-I167 HydrophobicContact CG2-CG1 3.97Å; I167-I174 HydrophobicContact CG2-CG2 3.63Å; I167-Y175 CarbonylContact C-O 3.49Å; I167-Y175 WeakPolarHBondContact CA-O 3.4Å; I167-V193 HydrophobicContact CD1-CB 3.6Å; I167-V193 HydrophobicContact CD1-CG1 3.41Å; I167-V193 VanDerWaalsContact CD1-CG1 3.41Å; I167-A194 HydrophobicContact CD1-CB 4.08Å; I167-A194 HydrophobicContact CG1-CB 4.32Å; I167-A194 HydrophobicContact CG2-CB 4.17Å; I167-I197 HydrophobicContact CG2-CD1 4.1Å |
| 168 | I | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.4 | 173.5 | -50.3 | 106.4 | 0 | 0 | 0 | 108.4 | L139 L155 F160 L170 I174 Y175 W177 L220 L224 | L139-I168 HydrophobicContact CD1-CB 4.44Å; L139-I168 HydrophobicContact CD1-CG1 3.6Å; L155-I168 HydrophobicContact CD1-CG2 3.74Å; F160-I168 HydrophobicContact CE1-CD1 4.37Å; F160-I168 HydrophobicContact CZ-CD1 4.12Å; F160-I168 HydrophobicContact CZ-CG1 4.08Å; I168-L170 HydrophobicContact CG2-CD2 3.95Å; I168-L170 HydrophobicContact CG2-CG 4.07Å; I168-I174 CarbonylContact O-C 3.58Å; I168-I174 WeakPolarHBondContact O-CA 3.35Å; I168-Y175 HydrophobicContact CB-CD2 4.46Å; I168-Y175 PolarHBondContact N-O 2.8Å; I168-Y175 PolarHBondContact O-N 2.92Å; I168-W177 HydrophobicContact CD1-CB 3.67Å; I168-L220 HydrophobicContact CB-CD1 4.13Å; I168-L220 HydrophobicContact CD1-CD1 3.8Å; I168-L220 HydrophobicContact CD1-CD2 4.05Å; I168-L220 HydrophobicContact CG1-CD1 3.96Å; I168-L220 HydrophobicContact CG2-CD1 3.94Å; I168-L224 HydrophobicContact CG1-CD1 4.47Å |
| 169 | D | 84.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 110.8 | -174.7 | 178 | 7.1 | 0 | 0 | 0 | 110.5 | K137 R138 G171 R202 | K137-D169 CarbonylContact C-O 3.58Å; K137-D169 WeakPolarHBondContact CA-O 2.91Å; R138-D169 HydrophobicContact CG-CB 3.8Å; R138-D169 IonicContact CZ-OD2 3.05Å; R138-D169 PolarHBondContact N-O 2.7Å; R138-D169 IonicContact NE-OD2 3.43Å; R138-D169 PolarHBondContact NE-OD2 3.02Å; R138-D169 IonicContact NH2-OD2 2.72Å; R138-D169 PolarHBondContact NH2-OD2 2.97Å; R138-D169 PolarHBondContact O-N 3.35Å; D169-G171 PolarHBondContact OD1-N 3.07Å; D169-R202 IonicContact OD1-CZ 2.58Å; D169-R202 VanDerWaalsContact OD1-CZ 3.22Å; D169-R202 IonicContact OD1-NH1 2.71Å; D169-R202 PolarHBondContact OD1-NH1 2.77Å; D169-R202 IonicContact OD1-NH2 3.58Å; D169-R202 PolarHBondContact OD1-NH2 2.61Å; D169-R202 IonicContact OD2-CZ 3.96Å; D169-R202 IonicContact OD2-NH1 3.53Å; D169-R202 IonicContact OD2-NH2 2.81Å; D169-R202 PolarHBondContact OD2-NH2 2.69Å |
| 170 | L | 88.6 | Confident | 89.8 | Confident | 32 Ų | 32 | 15.7 Ų | 15.7 | 17% | 0.168 | 9% | 0.091 | C | C | . | . | trans | -115.3 | 25.6 | -176.2 | -54.4 | -175.8 | 0 | 0 | 0 | 112.8 | A136 L155 I168 T172 K173 Y175 V223 | A136-L170 CarbonylContact O-C 3.48Å; A136-L170 WeakPolarHBondContact O-CA 3.15Å; L155-L170 HydrophobicContact CD2-CD2 4.46Å; I168-L170 HydrophobicContact CG2-CD2 3.95Å; I168-L170 HydrophobicContact CG2-CG 4.07Å; L170-T172 PolarHBondContact O-N 2.97Å; L170-K173 PolarHBondContact N-O 2.88Å; L170-Y175 HydrophobicContact CD1-CD2 4.41Å; L170-Y175 HydrophobicContact CD1-CE2 3.94Å; L170-V223 HydrophobicContact CD1-CG1 4.41Å; L170-V223 HydrophobicContact CD1-CG2 3.88Å; L170-V223 HydrophobicContact CD2-CG1 4.12Å | ||
| 171 | G | 81.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 84.2 | -77.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A136 D169 R202 S206 | A136-G171 PolarHBondContact O-N 3.13Å; A136-G171 VanDerWaalsContact O-N 3.11Å; D169-G171 PolarHBondContact OD1-N 3.07Å; G171-R202 VanDerWaalsContact C-NH1 3.33Å; G171-R202 WeakPolarHBondContact O-CD 3.4Å; G171-R202 PolarHBondContact O-NH1 3.41Å; G171-S206 PolarHBondContact O-OG 2.81Å |
| 172 | T | 83.9 | Confident | 88.7 | Confident | 80 Ų | 80 | 18.5 Ų | 18.5 | 49% | 0.491 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -84.1 | -17.2 | -179.9 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | L170 S206 E207 | L170-T172 PolarHBondContact O-N 2.97Å; T172-S206 WeakPolarHBondContact O-CA 3.49Å; T172-S206 PolarHBondContact O-OG 3.29Å; T172-S206 VanDerWaalsContact O-OG 3.11Å; T172-E207 PolarHBondContact O-N 2.94Å |
| 173 | K | 90.8 | Very high | 87.6 | Confident | 50 Ų | 50 | 18.8 Ų | 18.8 | 22% | 0.217 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140 | 176.2 | -64.4 | -171.5 | 178.1 | -179.6 | 0 | 110.2 | L170 Y175 S206 E207 I209 E219 | L170-K173 PolarHBondContact N-O 2.88Å; K173-Y175 HydrophobicContact CB-CE2 3.88Å; K173-Y175 HydrophobicContact CD-CE2 4.47Å; K173-Y175 VanDerWaalsContact CD-OH 3.32Å; K173-Y175 WeakPolarHBondContact CD-OH 3.19Å; K173-S206 PolarHBondContact N-OG 3.45Å; K173-E207 CarbonylContact C-O 3.5Å; K173-E207 WeakPolarHBondContact CA-O 3.35Å; K173-E207 WeakPolarHBondContact CE-OE2 3.38Å; K173-E207 HydrophobicContact CG-CB 4.33Å; K173-I209 HydrophobicContact CD-CD1 4.19Å; K173-E219 IonicContact NZ-OE1 3.94Å; K173-E219 IonicContact NZ-OE2 3.88Å; K173-E219 PolarHBondContact NZ-OE2 3.41Å |
| 174 | I | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121 | 175 | -61.2 | 156 | 0 | 0 | 0 | 106.5 | I167 I168 A194 I197 R198 R202 S206 E207 L208 I209 | I167-I174 HydrophobicContact CG2-CG2 3.63Å; I168-I174 CarbonylContact O-C 3.58Å; I168-I174 WeakPolarHBondContact O-CA 3.35Å; I174-A194 HydrophobicContact CG2-CB 3.99Å; I174-I197 HydrophobicContact CD1-CB 4.03Å; I174-I197 HydrophobicContact CD1-CG2 3.61Å; I174-I197 HydrophobicContact CG1-CG2 4.19Å; I174-R198 HydrophobicContact CD1-CB 3.83Å; I174-R202 HydrophobicContact CD1-CG 4.48Å; I174-S206 WeakPolarHBondContact CD1-OG 3.16Å; I174-S206 WeakPolarHBondContact CG1-OG 3.11Å; I174-E207 PolarHBondContact N-O 3.32Å; I174-L208 HydrophobicContact CB-CD1 4.16Å; I174-L208 HydrophobicContact CG2-CD1 3.86Å; I174-L208 WeakPolarHBondContact O-CA 3.43Å; I174-I209 PolarHBondContact O-N 3.37Å |
| 175 | Y | 95.6 | Very high | 85.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.5 | 175.2 | -57.5 | -93.3 | 0 | 0 | 0 | 109.3 | I167 I168 L170 K173 I209 V211 P217 E219 L220 | I167-Y175 CarbonylContact C-O 3.49Å; I167-Y175 WeakPolarHBondContact CA-O 3.4Å; I168-Y175 HydrophobicContact CB-CD2 4.46Å; I168-Y175 PolarHBondContact N-O 2.8Å; I168-Y175 PolarHBondContact O-N 2.92Å; L170-Y175 HydrophobicContact CD1-CD2 4.41Å; L170-Y175 HydrophobicContact CD1-CE2 3.94Å; K173-Y175 HydrophobicContact CB-CE2 3.88Å; K173-Y175 HydrophobicContact CD-CE2 4.47Å; K173-Y175 VanDerWaalsContact CD-OH 3.32Å; K173-Y175 WeakPolarHBondContact CD-OH 3.19Å; Y175-I209 CarbonylContact C-O 3.54Å; Y175-I209 VanDerWaalsContact CA-O 3.28Å; Y175-I209 WeakPolarHBondContact CA-O 3.42Å; Y175-I209 HydrophobicContact CD1-CB 3.84Å; Y175-I209 HydrophobicContact CD1-CD1 4.11Å; Y175-I209 HydrophobicContact CD1-CG2 4.02Å; Y175-I209 HydrophobicContact CE1-CB 4.15Å; Y175-I209 HydrophobicContact CE1-CD1 3.54Å; Y175-I209 HydrophobicContact CE1-CG1 4.42Å; Y175-I209 HydrophobicContact CE1-CG2 4.23Å; Y175-V211 HydrophobicContact CD1-CG2 3.87Å; Y175-P217 HydrophobicContact CD1-CG 4.17Å; Y175-P217 HydrophobicContact CE1-CG 3.71Å; Y175-E219 PolarHBondContact OH-OE2 3.5Å; Y175-E219 VanDerWaalsContact OH-OE2 3.12Å; Y175-L220 HydrophobicContact CD2-CD1 4.26Å; Y175-L220 HydrophobicContact CG-CD1 4.4Å |
| 176 | Q | 95.2 | Very high | 83.9 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.028 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 104.9 | 164.3 | 174.4 | -172.1 | -26.3 | 0 | 0 | 107 | F166 C178 R187 A190 N191 L208 I209 V210 V211 | F166-Q176 CarbonylContact O-C 3.07Å; Q176-C178 PolarHBondContact NE2-SG 3.35Å; Q176-C178 VanDerWaalsContact NE2-SG 3.4Å; Q176-R187 PolarHBondContact NE2-O 2.89Å; Q176-A190 HydrophobicContact CG-CB 4.07Å; Q176-N191 VanDerWaalsContact OE1-CA 3.24Å; Q176-N191 PolarHBondContact OE1-ND2 3.21Å; Q176-N191 VanDerWaalsContact OE1-ND2 3.1Å; Q176-L208 HydrophobicContact CB-CD1 4.45Å; Q176-I209 PolarHBondContact N-O 2.65Å; Q176-V210 HydrophobicContact CB-CG2 4.38Å; Q176-V210 CarbonylContact O-C 3.53Å; Q176-V210 WeakPolarHBondContact O-CA 3.38Å; Q176-V211 PolarHBondContact O-N 3.42Å |
| 177 | W | 96.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128 | 176 | -172.6 | 95.6 | 0 | 0 | 0 | 110 | W157 F160 N161 C165 F166 I168 G179 V211 E213 E216 L230 | W157-W177 HydrophobicContact CZ3-CZ2 4.46Å; F160-W177 AromaticContact CD1-CD2 3.81Å; F160-W177 HydrophobicContact CD1-CD2 3.81Å; F160-W177 AromaticContact CD1-CE3 3.54Å; F160-W177 HydrophobicContact CD1-CE3 3.54Å; F160-W177 HydrophobicContact CD1-CG 4.47Å; F160-W177 HydrophobicContact CD1-CH2 4.18Å; F160-W177 HydrophobicContact CD1-CZ2 4.42Å; F160-W177 AromaticContact CD1-CZ3 3.74Å; F160-W177 HydrophobicContact CD1-CZ3 3.74Å; F160-W177 HydrophobicContact CE1-CB 4.15Å; F160-W177 AromaticContact CE1-CD2 3.76Å; F160-W177 HydrophobicContact CE1-CD2 3.76Å; F160-W177 AromaticContact CE1-CE3 3.81Å; F160-W177 HydrophobicContact CE1-CE3 3.81Å; F160-W177 AromaticContact CE1-CG 3.94Å; F160-W177 HydrophobicContact CE1-CG 3.94Å; F160-W177 HydrophobicContact CE1-CZ3 4.46Å; N161-W177 WeakPolarHBondContact O-CZ3 3.32Å; C165-W177 WeakPolarHBondContact CA-O 3.31Å; F166-W177 AromaticContact CD2-CE3 3.78Å; F166-W177 HydrophobicContact CD2-CE3 3.78Å; F166-W177 AromaticContact CD2-CZ3 3.95Å; F166-W177 HydrophobicContact CD2-CZ3 3.95Å; F166-W177 HydrophobicContact CE2-CZ3 4.31Å; F166-W177 PolarHBondContact N-O 3.2Å; F166-W177 PolarHBondContact O-N 2.73Å; I168-W177 HydrophobicContact CD1-CB 3.67Å; W177-G179 VanDerWaalsContact CZ3-CA 3.42Å; W177-V211 CarbonylContact C-O 3.09Å; W177-V211 VanDerWaalsContact CA-O 3.3Å; W177-V211 WeakPolarHBondContact CA-O 3.2Å; W177-E213 HydrophobicContact CH2-CB 4.1Å; W177-E213 HydrophobicContact CH2-CG 4.28Å; W177-E213 HydrophobicContact CZ2-CB 3.67Å; W177-E213 HydrophobicContact CZ2-CG 3.81Å; W177-E216 PolarHBondContact NE1-OE1 3.49Å; W177-L230 HydrophobicContact CH2-CD1 3.47Å; W177-L230 VanDerWaalsContact CH2-CD1 3.47Å; W177-L230 HydrophobicContact CZ2-CD1 3.68Å |
| 178 | C | 93.7 | Very high | 82 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120 | -177.6 | -68.9 | 0 | 0 | 0 | 0 | 110 | Q176 V211 E212 E213 | Q176-C178 PolarHBondContact NE2-SG 3.35Å; Q176-C178 VanDerWaalsContact NE2-SG 3.4Å; C178-V211 PolarHBondContact N-O 3.17Å; C178-E212 WeakPolarHBondContact CB-OE2 3.49Å; C178-E213 PolarHBondContact O-N 3.49Å |
| 179 | G | 92 | Very high | 80.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -63.9 | 153.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K162 D164 W177 S181 C182 R187 | K162-G179 CarbonylContact O-C 3.43Å; K162-G179 WeakPolarHBondContact O-CA 3.49Å; D164-G179 PolarHBondContact O-N 2.98Å; D164-G179 VanDerWaalsContact O-N 3.11Å; W177-G179 VanDerWaalsContact CZ3-CA 3.42Å; G179-S181 PolarHBondContact O-N 3.02Å; G179-C182 PolarHBondContact O-N 3.12Å; G179-C182 PolarHBondContact O-SG 2.85Å; G179-R187 PolarHBondContact O-NH2 3.22Å | ||
| 180 | S | 88.5 | Confident | 79.3 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.4 | -177.2 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | K162 E213 | K162-S180 PolarHBondContact O-N 2.81Å; S180-E213 WeakPolarHBondContact CB-OE2 3.49Å; S180-E213 PolarHBondContact N-OE2 3.29Å; S180-E213 PolarHBondContact OG-OE2 3.18Å |
| 181 | S | 82.3 | Confident | 78.7 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 9.9 | 179 | 56 | 0 | 0 | 0 | 0 | 114.2 | K162 G163 G179 | K162-S181 PolarHBondContact O-N 2.8Å; K162-S181 PolarHBondContact O-OG 3.48Å; G163-S181 WeakPolarHBondContact CA-OG 3.34Å; G163-S181 PolarHBondContact N-OG 3.24Å; G179-S181 PolarHBondContact O-N 3.02Å |
| 182 | C | 75.8 | Confident | 77.5 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 8% | 0.081 | 26% | 0.262 | C | S | . | . | trans | -68.9 | 145.1 | -178.7 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | K162 G163 D164 G179 R187 | K162-C182 PolarHBondContact O-N 3.46Å; G163-C182 WeakPolarHBondContact O-CA 3.35Å; G163-C182 WeakPolarHBondContact O-CB 3.33Å; D164-C182 WeakPolarHBondContact O-CB 3.35Å; G179-C182 PolarHBondContact O-N 3.12Å; G179-C182 PolarHBondContact O-SG 2.85Å; C182-R187 VanDerWaalsContact SG-CZ 3.5Å; C182-R187 PolarHBondContact SG-NE 3.07Å; C182-R187 PolarHBondContact SG-NH2 3.37Å; C182-R187 VanDerWaalsContact SG-NH2 3.44Å | ||
| 183 | N | 66.1 | Low | 76 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | trans | -81.8 | 161.8 | -171.7 | 74.7 | 54.1 | 0 | 0 | 0 | 112.9 | Y185 E186 R187 | N183-Y185 VanDerWaalsContact C-N 3.26Å; N183-Y185 PolarHBondContact O-N 2.73Å; N183-Y185 PolarHBondContact OD1-N 3.27Å; N183-E186 PolarHBondContact N-OE2 2.76Å; N183-E186 VanDerWaalsContact N-OE2 3.09Å; N183-E186 PolarHBondContact ND2-OE1 3.07Å; N183-E186 PolarHBondContact ND2-OE2 2.94Å; N183-E186 PolarHBondContact O-N 3.28Å; N183-E186 PolarHBondContact OD1-N 2.95Å; N183-R187 WeakPolarHBondContact O-CG 3.32Å; N183-R187 PolarHBondContact O-N 3.18Å; N183-R187 VanDerWaalsContact O-N 3.16Å | ||
| 184 | K | 66.1 | Low | 75 | Confident | 183 Ų | 183 | 48 Ų | 48 | 80% | 0.796 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.3 | -28.6 | -175.5 | -67.7 | -179.7 | -179.1 | 175 | 0 | 113.4 | L188 | K184-L188 PolarHBondContact O-N 2.77Å; K184-L188 VanDerWaalsContact O-N 3.15Å |
| 185 | Y | 54.6 | Low | 73.5 | Confident | 164 Ų | 164 | 50 Ų | 50 | 64% | 0.643 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -78 | -38.4 | -179.3 | -68.9 | -80.1 | 0 | 0 | 0 | 111.8 | N183 L188 K189 | N183-Y185 VanDerWaalsContact C-N 3.26Å; N183-Y185 PolarHBondContact O-N 2.73Å; N183-Y185 PolarHBondContact OD1-N 3.27Å; Y185-L188 PolarHBondContact O-N 3.45Å; Y185-K189 WeakPolarHBondContact O-CB 3.14Å; Y185-K189 PolarHBondContact O-N 3.07Å |
| 186 | E | 61.2 | Low | 71.2 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 171.5 | -76.2 | 154.2 | -174.8 | 0 | 0 | 111.8 | G144 V148 C165 N183 L188 K189 A190 | G144-E186 PolarHBondContact N-OE1 3.11Å; V148-E186 HydrophobicContact CG1-CG 4.08Å; V148-E186 HydrophobicContact CG2-CG 4.38Å; C165-E186 HydrophobicContact CB-CB 4.39Å; N183-E186 PolarHBondContact N-OE2 2.76Å; N183-E186 VanDerWaalsContact N-OE2 3.09Å; N183-E186 PolarHBondContact ND2-OE1 3.07Å; N183-E186 PolarHBondContact ND2-OE2 2.94Å; N183-E186 PolarHBondContact O-N 3.28Å; N183-E186 PolarHBondContact OD1-N 2.95Å; E186-L188 PolarHBondContact O-N 3.17Å; E186-K189 PolarHBondContact O-N 3.33Å; E186-A190 WeakPolarHBondContact O-CB 3.18Å; E186-A190 PolarHBondContact O-N 2.84Å |
| 187 | R | 78.1 | Confident | 69.2 | Low | 68 Ų | 68 | 50.8 Ų | 50.8 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 174.7 | -71.3 | 173.2 | 173.2 | -90.2 | -3.7 | 111.9 | Q176 G179 C182 N183 N191 E212 | Q176-R187 PolarHBondContact NE2-O 2.89Å; G179-R187 PolarHBondContact O-NH2 3.22Å; C182-R187 VanDerWaalsContact SG-CZ 3.5Å; C182-R187 PolarHBondContact SG-NE 3.07Å; C182-R187 PolarHBondContact SG-NH2 3.37Å; C182-R187 VanDerWaalsContact SG-NH2 3.44Å; N183-R187 WeakPolarHBondContact O-CG 3.32Å; N183-R187 PolarHBondContact O-N 3.18Å; N183-R187 VanDerWaalsContact O-N 3.16Å; R187-N191 WeakPolarHBondContact O-CB 3.22Å; R187-N191 PolarHBondContact O-N 3.39Å; R187-E212 IonicContact CZ-OE1 3.49Å; R187-E212 IonicContact CZ-OE2 2.79Å; R187-E212 IonicContact NH1-OE1 3.99Å; R187-E212 PolarHBondContact NH1-OE1 2.88Å; R187-E212 IonicContact NH1-OE2 2.68Å; R187-E212 PolarHBondContact NH1-OE2 3.03Å; R187-E212 IonicContact NH2-OE1 3.07Å; R187-E212 IonicContact NH2-OE2 2.72Å; R187-E212 PolarHBondContact NH2-OE2 2.69Å |
| 188 | L | 61.8 | Low | 67.8 | Low | 100 Ų | 100 | 54.1 Ų | 54.1 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 177.6 | -178.3 | 65.4 | 0 | 0 | 0 | 111.4 | K184 Y185 E186 N191 Q192 | K184-L188 PolarHBondContact O-N 2.77Å; K184-L188 VanDerWaalsContact O-N 3.15Å; Y185-L188 PolarHBondContact O-N 3.45Å; E186-L188 PolarHBondContact O-N 3.17Å; L188-N191 WeakPolarHBondContact O-CB 3.49Å; L188-N191 PolarHBondContact O-N 3Å; L188-Q192 WeakPolarHBondContact O-CG 3.42Å; L188-Q192 PolarHBondContact O-N 2.78Å |
| 189 | K | 55.9 | Low | 65.7 | Low | 75 Ų | 75 | 59.8 Ų | 59.8 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 179.5 | -171.8 | 73.4 | 174.5 | 177.3 | 0 | 112.2 | V142 V148 Y185 E186 N191 Q192 V193 | V142-K189 HydrophobicContact CG1-CB 4.33Å; V142-K189 HydrophobicContact CG1-CG 4.36Å; V148-K189 HydrophobicContact CB-CB 3.64Å; V148-K189 HydrophobicContact CB-CD 4.34Å; V148-K189 HydrophobicContact CB-CG 3.62Å; V148-K189 HydrophobicContact CG1-CB 3.52Å; V148-K189 HydrophobicContact CG1-CG 3.6Å; V148-K189 HydrophobicContact CG2-CB 4.05Å; V148-K189 WeakPolarHBondContact O-CE 3.4Å; Y185-K189 WeakPolarHBondContact O-CB 3.14Å; Y185-K189 PolarHBondContact O-N 3.07Å; E186-K189 PolarHBondContact O-N 3.33Å; K189-N191 PolarHBondContact O-N 3.42Å; K189-Q192 WeakPolarHBondContact O-CB 3.12Å; K189-Q192 PolarHBondContact O-N 3.09Å; K189-Q192 VanDerWaalsContact O-N 3.1Å; K189-V193 HydrophobicContact CG-CG2 4.21Å; K189-V193 WeakPolarHBondContact O-CG2 3.44Å; K189-V193 PolarHBondContact O-N 2.93Å |
| 190 | A | 67.4 | Low | 63.5 | Low | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V142 C165 Q176 E186 V193 A194 | V142-A190 HydrophobicContact CB-CB 4.2Å; V142-A190 HydrophobicContact CG1-CB 3.99Å; V142-A190 HydrophobicContact CG2-CB 4.08Å; C165-A190 HydrophobicContact CB-CB 3.62Å; Q176-A190 HydrophobicContact CG-CB 4.07Å; E186-A190 WeakPolarHBondContact O-CB 3.18Å; E186-A190 PolarHBondContact O-N 2.84Å; A190-V193 PolarHBondContact O-N 3.47Å; A190-A194 WeakPolarHBondContact O-CB 3.47Å; A190-A194 PolarHBondContact O-N 2.88Å |
| 191 | N | 75.6 | Confident | 61.7 | Low | 63 Ų | 63 | 65.7 Ų | 65.7 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 173.9 | -167.1 | -92 | 0 | 0 | 0 | 112.8 | Q176 R187 L188 K189 V193 A194 T195 | Q176-N191 VanDerWaalsContact OE1-CA 3.24Å; Q176-N191 PolarHBondContact OE1-ND2 3.21Å; Q176-N191 VanDerWaalsContact OE1-ND2 3.1Å; R187-N191 WeakPolarHBondContact O-CB 3.22Å; R187-N191 PolarHBondContact O-N 3.39Å; L188-N191 WeakPolarHBondContact O-CB 3.49Å; L188-N191 PolarHBondContact O-N 3Å; K189-N191 PolarHBondContact O-N 3.42Å; N191-V193 PolarHBondContact O-N 3.21Å; N191-A194 PolarHBondContact O-N 3.08Å; N191-T195 WeakPolarHBondContact O-CB 3.39Å; N191-T195 PolarHBondContact O-N 3.21Å; N191-T195 PolarHBondContact O-OG1 2.99Å |
| 192 | Q | 56.3 | Low | 60.6 | Low | 103 Ų | 103 | 62.7 Ų | 62.7 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 175.7 | -72.3 | 173.6 | -1.8 | 0 | 0 | 112 | L188 K189 G196 | L188-Q192 WeakPolarHBondContact O-CG 3.42Å; L188-Q192 PolarHBondContact O-N 2.78Å; K189-Q192 WeakPolarHBondContact O-CB 3.12Å; K189-Q192 PolarHBondContact O-N 3.09Å; K189-Q192 VanDerWaalsContact O-N 3.1Å; Q192-G196 PolarHBondContact O-N 3.29Å |
| 193 | V | 52.3 | Low | 59.5 | Low | 34 Ų | 34 | 65.7 Ų | 65.7 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -46.7 | 179.8 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | L140 A150 I167 K189 A190 N191 T195 G196 I197 | L140-V193 HydrophobicContact CD1-CG1 4.19Å; A150-V193 HydrophobicContact CB-CG1 3.93Å; A150-V193 HydrophobicContact CB-CG2 4.19Å; I167-V193 HydrophobicContact CD1-CB 3.6Å; I167-V193 HydrophobicContact CD1-CG1 3.41Å; I167-V193 VanDerWaalsContact CD1-CG1 3.41Å; K189-V193 HydrophobicContact CG-CG2 4.21Å; K189-V193 WeakPolarHBondContact O-CG2 3.44Å; K189-V193 PolarHBondContact O-N 2.93Å; A190-V193 PolarHBondContact O-N 3.47Å; N191-V193 PolarHBondContact O-N 3.21Å; V193-T195 VanDerWaalsContact C-N 3.34Å; V193-T195 PolarHBondContact O-N 2.84Å; V193-G196 WeakPolarHBondContact O-CA 3.29Å; V193-G196 PolarHBondContact O-N 3.44Å; V193-G196 VanDerWaalsContact O-N 3.14Å; V193-I197 HydrophobicContact CG1-CD1 4.15Å; V193-I197 WeakPolarHBondContact O-CG1 3.28Å; V193-I197 PolarHBondContact O-N 3.46Å |
| 194 | A | 68.9 | Low | 59.2 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I167 I174 A190 N191 I197 R198 L208 | I167-A194 HydrophobicContact CD1-CB 4.08Å; I167-A194 HydrophobicContact CG1-CB 4.32Å; I167-A194 HydrophobicContact CG2-CB 4.17Å; I174-A194 HydrophobicContact CG2-CB 3.99Å; A190-A194 WeakPolarHBondContact O-CB 3.47Å; A190-A194 PolarHBondContact O-N 2.88Å; N191-A194 PolarHBondContact O-N 3.08Å; A194-I197 PolarHBondContact O-N 2.96Å; A194-R198 WeakPolarHBondContact O-CB 3.47Å; A194-R198 PolarHBondContact O-N 2.89Å; A194-L208 HydrophobicContact CB-CD1 3.53Å; A194-L208 HydrophobicContact CB-CD2 4.32Å |
| 195 | T | 59.3 | Low | 59 | Low | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 171.3 | -64.4 | 0 | 0 | 0 | 0 | 111 | N191 V193 R198 Y199 | N191-T195 WeakPolarHBondContact O-CB 3.39Å; N191-T195 PolarHBondContact O-N 3.21Å; N191-T195 PolarHBondContact O-OG1 2.99Å; V193-T195 VanDerWaalsContact C-N 3.34Å; V193-T195 PolarHBondContact O-N 2.84Å; T195-R198 PolarHBondContact O-N 3.38Å; T195-Y199 HydrophobicContact CG2-CD2 3.56Å; T195-Y199 HydrophobicContact CG2-CE2 3.77Å; T195-Y199 VanDerWaalsContact O-CD2 3.31Å; T195-Y199 WeakPolarHBondContact O-CD2 3.39Å; T195-Y199 PolarHBondContact O-N 3.45Å |
| 196 | G | 47.4 | Very low | 59.8 | Low | 19 Ų | 19 | 53.7 Ų | 53.7 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q192 V193 R198 Y199 N200 | Q192-G196 PolarHBondContact O-N 3.29Å; V193-G196 WeakPolarHBondContact O-CA 3.29Å; V193-G196 PolarHBondContact O-N 3.44Å; V193-G196 VanDerWaalsContact O-N 3.14Å; G196-R198 VanDerWaalsContact C-N 3.34Å; G196-R198 PolarHBondContact O-N 3.26Å; G196-Y199 PolarHBondContact O-N 2.72Å; G196-N200 WeakPolarHBondContact O-CA 3.39Å; G196-N200 WeakPolarHBondContact O-CB 3.04Å; G196-N200 VanDerWaalsContact O-CG 3.25Å; G196-N200 PolarHBondContact O-N 3.22Å; G196-N200 PolarHBondContact O-ND2 3.32Å |
| 197 | I | 53.9 | Low | 61.1 | Low | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -60.3 | -45.6 | 176.6 | -62.3 | 164.8 | 0 | 0 | 0 | 110.1 | L140 I167 I174 V193 A194 E201 R202 | L140-I197 HydrophobicContact CD1-CD1 3.7Å; I167-I197 HydrophobicContact CG2-CD1 4.1Å; I174-I197 HydrophobicContact CD1-CB 4.03Å; I174-I197 HydrophobicContact CD1-CG2 3.61Å; I174-I197 HydrophobicContact CG1-CG2 4.19Å; V193-I197 HydrophobicContact CG1-CD1 4.15Å; V193-I197 WeakPolarHBondContact O-CG1 3.28Å; V193-I197 PolarHBondContact O-N 3.46Å; A194-I197 PolarHBondContact O-N 2.96Å; I197-E201 HydrophobicContact CG2-CB 4.38Å; I197-E201 HydrophobicContact CG2-CG 4.49Å; I197-E201 WeakPolarHBondContact O-CA 3.29Å; I197-E201 VanDerWaalsContact O-CB 3.27Å; I197-E201 WeakPolarHBondContact O-CB 3.47Å; I197-E201 PolarHBondContact O-N 3.26Å; I197-R202 PolarHBondContact O-N 3.48Å |
| 198 | R | 66.4 | Low | 61.7 | Low | 70 Ų | 70 | 57.3 Ų | 57.3 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -59.8 | -51.6 | 179.4 | 175.3 | 174.4 | 174.5 | -148.6 | -5.9 | 112.7 | I174 A194 T195 G196 R202 K203 G204 S206 | I174-R198 HydrophobicContact CD1-CB 3.83Å; A194-R198 WeakPolarHBondContact O-CB 3.47Å; A194-R198 PolarHBondContact O-N 2.89Å; T195-R198 PolarHBondContact O-N 3.38Å; G196-R198 VanDerWaalsContact C-N 3.34Å; G196-R198 PolarHBondContact O-N 3.26Å; R198-R202 CarbonylContact O-C 2.99Å; R198-R202 WeakPolarHBondContact O-CA 3.46Å; R198-R202 WeakPolarHBondContact O-CB 3.18Å; R198-R202 PolarHBondContact O-N 3.13Å; R198-K203 PolarHBondContact O-N 3.47Å; R198-G204 WeakPolarHBondContact O-CA 3.13Å; R198-G204 PolarHBondContact O-N 3.11Å; R198-S206 VanDerWaalsContact CD-O 3.24Å; R198-S206 WeakPolarHBondContact CD-O 3.36Å; R198-S206 WeakPolarHBondContact CG-O 3.41Å; R198-S206 PolarHBondContact NE-O 3.27Å |
| 199 | Y | 49.6 | Very low | 63.2 | Low | 119 Ų | 119 | 54.6 Ų | 54.6 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -86.1 | -38 | -172.3 | -70.9 | -69.2 | 0 | 0 | 0 | 112.6 | T195 G196 K203 | T195-Y199 HydrophobicContact CG2-CD2 3.56Å; T195-Y199 HydrophobicContact CG2-CE2 3.77Å; T195-Y199 VanDerWaalsContact O-CD2 3.31Å; T195-Y199 WeakPolarHBondContact O-CD2 3.39Å; T195-Y199 PolarHBondContact O-N 3.45Å; G196-Y199 PolarHBondContact O-N 2.72Å; Y199-K203 VanDerWaalsContact O-CA 3.26Å; Y199-K203 WeakPolarHBondContact O-CA 3.37Å; Y199-K203 PolarHBondContact O-N 3.03Å |
| 200 | N | 46.2 | Very low | 65 | Low | 111 Ų | 111 | 54.7 Ų | 54.7 | 59% | 0.594 | 27% | 0.273 | S | S | * | . | I | π-helix | trans | -88.1 | -43.4 | -174.2 | -50.7 | -21.4 | 0 | 0 | 0 | 111.6 | G196 | G196-N200 WeakPolarHBondContact O-CA 3.39Å; G196-N200 WeakPolarHBondContact O-CB 3.04Å; G196-N200 VanDerWaalsContact O-CG 3.25Å; G196-N200 PolarHBondContact O-N 3.22Å; G196-N200 PolarHBondContact O-ND2 3.32Å |
| 201 | E | 49.9 | Very low | 66.3 | Low | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -88.5 | -36.2 | -179.8 | -56.5 | -176.2 | -153.5 | 0 | 0 | 112.5 | R138 I197 | R138-E201 IonicContact CZ-OE1 3.32Å; R138-E201 IonicContact CZ-OE2 2.67Å; R138-E201 IonicContact NH1-OE1 2.85Å; R138-E201 IonicContact NH2-OE1 2.92Å; R138-E201 PolarHBondContact NH2-OE1 2.71Å; R138-E201 IonicContact NH2-OE2 2.96Å; R138-E201 PolarHBondContact NH2-OE2 3.46Å; I197-E201 HydrophobicContact CG2-CB 4.38Å; I197-E201 HydrophobicContact CG2-CG 4.49Å; I197-E201 WeakPolarHBondContact O-CA 3.29Å; I197-E201 VanDerWaalsContact O-CB 3.27Å; I197-E201 WeakPolarHBondContact O-CB 3.47Å; I197-E201 PolarHBondContact O-N 3.26Å |
| 202 | R | 59.3 | Low | 67.1 | Low | 11 Ų | 11 | 55.5 Ų | 55.5 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -103.6 | -0.8 | -175.4 | -48.8 | -62 | 158.8 | 60.6 | 9.9 | 114.5 | A136 D169 G171 I174 I197 R198 G204 R205 | A136-R202 VanDerWaalsContact CB-NH2 3.26Å; D169-R202 IonicContact OD1-CZ 2.58Å; D169-R202 VanDerWaalsContact OD1-CZ 3.22Å; D169-R202 IonicContact OD1-NH1 2.71Å; D169-R202 PolarHBondContact OD1-NH1 2.77Å; D169-R202 IonicContact OD1-NH2 3.58Å; D169-R202 PolarHBondContact OD1-NH2 2.61Å; D169-R202 IonicContact OD2-CZ 3.96Å; D169-R202 IonicContact OD2-NH1 3.53Å; D169-R202 IonicContact OD2-NH2 2.81Å; D169-R202 PolarHBondContact OD2-NH2 2.69Å; G171-R202 VanDerWaalsContact C-NH1 3.33Å; G171-R202 WeakPolarHBondContact O-CD 3.4Å; G171-R202 PolarHBondContact O-NH1 3.41Å; I174-R202 HydrophobicContact CD1-CG 4.48Å; I197-R202 PolarHBondContact O-N 3.48Å; R198-R202 CarbonylContact O-C 2.99Å; R198-R202 WeakPolarHBondContact O-CA 3.46Å; R198-R202 WeakPolarHBondContact O-CB 3.18Å; R198-R202 PolarHBondContact O-N 3.13Å; R202-G204 PolarHBondContact O-N 3.03Å; R202-R205 WeakPolarHBondContact O-CB 3.33Å; R202-R205 PolarHBondContact O-N 3.18Å; R202-R205 VanDerWaalsContact O-N 3.12Å; R202-R205 PolarHBondContact O-NE 2.83Å |
| 203 | K | 54 | Low | 68.8 | Low | 75 Ų | 75 | 52.4 Ų | 52.4 | 33% | 0.326 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 37 | 179.4 | -52.4 | -178.4 | -177.1 | 170.5 | 0 | 112.5 | N132 R198 Y199 R205 | N132-K203 PolarHBondContact OD1-NZ 3.46Å; N132-K203 VanDerWaalsContact OD1-NZ 3.07Å; R198-K203 PolarHBondContact O-N 3.47Å; Y199-K203 VanDerWaalsContact O-CA 3.26Å; Y199-K203 WeakPolarHBondContact O-CA 3.37Å; Y199-K203 PolarHBondContact O-N 3.03Å; K203-R205 PolarHBondContact O-N 2.84Å |
| 204 | G | 58.4 | Low | 70.5 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -0.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R198 R202 | R198-G204 WeakPolarHBondContact O-CA 3.13Å; R198-G204 PolarHBondContact O-N 3.11Å; R202-G204 PolarHBondContact O-N 3.03Å |
| 205 | R | 62.8 | Low | 71.6 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | trans | -86.1 | -3.4 | -174.7 | -59.6 | 177.1 | -68.9 | -177 | -3.1 | 114.6 | N132 R202 K203 | N132-R205 VanDerWaalsContact CG-NH1 3.35Å; N132-R205 PolarHBondContact ND2-NH1 3.02Å; N132-R205 PolarHBondContact OD1-NH2 2.9Å; R202-R205 WeakPolarHBondContact O-CB 3.33Å; R202-R205 PolarHBondContact O-N 3.18Å; R202-R205 VanDerWaalsContact O-N 3.12Å; R202-R205 PolarHBondContact O-NE 2.83Å; K203-R205 PolarHBondContact O-N 2.84Å | ||
| 206 | S | 71.9 | Confident | 73.2 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -95.3 | 142.7 | 172.3 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | G171 T172 K173 I174 R198 | G171-S206 PolarHBondContact O-OG 2.81Å; T172-S206 WeakPolarHBondContact O-CA 3.49Å; T172-S206 PolarHBondContact O-OG 3.29Å; T172-S206 VanDerWaalsContact O-OG 3.11Å; K173-S206 PolarHBondContact N-OG 3.45Å; I174-S206 WeakPolarHBondContact CD1-OG 3.16Å; I174-S206 WeakPolarHBondContact CG1-OG 3.11Å; R198-S206 VanDerWaalsContact CD-O 3.24Å; R198-S206 WeakPolarHBondContact CD-O 3.36Å; R198-S206 WeakPolarHBondContact CG-O 3.41Å; R198-S206 PolarHBondContact NE-O 3.27Å |
| 207 | E | 88.5 | Confident | 75.3 | Confident | 107 Ų | 107 | 58.4 Ų | 58.4 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.8 | 169.2 | -166.8 | 178.7 | -170.5 | 0 | 0 | 109.2 | T172 K173 I174 I209 | T172-E207 PolarHBondContact O-N 2.94Å; K173-E207 CarbonylContact C-O 3.5Å; K173-E207 WeakPolarHBondContact CA-O 3.35Å; K173-E207 WeakPolarHBondContact CE-OE2 3.38Å; K173-E207 HydrophobicContact CG-CB 4.33Å; I174-E207 PolarHBondContact N-O 3.32Å; E207-I209 HydrophobicContact CG-CD1 4.23Å; E207-I209 HydrophobicContact CG-CG1 3.95Å |
| 208 | L | 89.1 | Confident | 76.9 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 20% | 0.199 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.6 | 173.5 | 173 | 61 | 0 | 0 | 0 | 108.6 | I174 Q176 A194 | I174-L208 HydrophobicContact CB-CD1 4.16Å; I174-L208 HydrophobicContact CG2-CD1 3.86Å; I174-L208 WeakPolarHBondContact O-CA 3.43Å; Q176-L208 HydrophobicContact CB-CD1 4.45Å; A194-L208 HydrophobicContact CB-CD1 3.53Å; A194-L208 HydrophobicContact CB-CD2 4.32Å |
| 209 | I | 93.9 | Very high | 77.9 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122.5 | -174.4 | -55.9 | 168.7 | 0 | 0 | 0 | 108.2 | K173 I174 Y175 Q176 E207 V211 | K173-I209 HydrophobicContact CD-CD1 4.19Å; I174-I209 PolarHBondContact O-N 3.37Å; Y175-I209 CarbonylContact C-O 3.54Å; Y175-I209 VanDerWaalsContact CA-O 3.28Å; Y175-I209 WeakPolarHBondContact CA-O 3.42Å; Y175-I209 HydrophobicContact CD1-CB 3.84Å; Y175-I209 HydrophobicContact CD1-CD1 4.11Å; Y175-I209 HydrophobicContact CD1-CG2 4.02Å; Y175-I209 HydrophobicContact CE1-CB 4.15Å; Y175-I209 HydrophobicContact CE1-CD1 3.54Å; Y175-I209 HydrophobicContact CE1-CG1 4.42Å; Y175-I209 HydrophobicContact CE1-CG2 4.23Å; Q176-I209 PolarHBondContact N-O 2.65Å; E207-I209 HydrophobicContact CG-CD1 4.23Å; E207-I209 HydrophobicContact CG-CG1 3.95Å; I209-V211 HydrophobicContact CG2-CG2 4.05Å |
| 210 | V | 94.2 | Very high | 79.8 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.9 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | Q176 | Q176-V210 HydrophobicContact CB-CG2 4.38Å; Q176-V210 CarbonylContact O-C 3.53Å; Q176-V210 WeakPolarHBondContact O-CA 3.38Å |
| 211 | V | 94.8 | Very high | 81.9 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.3 | -175.4 | -177.3 | 0 | 0 | 0 | 0 | 108 | Y175 Q176 W177 C178 I209 E216 P217 | Y175-V211 HydrophobicContact CD1-CG2 3.87Å; Q176-V211 PolarHBondContact O-N 3.42Å; W177-V211 CarbonylContact C-O 3.09Å; W177-V211 VanDerWaalsContact CA-O 3.3Å; W177-V211 WeakPolarHBondContact CA-O 3.2Å; C178-V211 PolarHBondContact N-O 3.17Å; I209-V211 HydrophobicContact CG2-CG2 4.05Å; V211-E216 HydrophobicContact CG1-CB 4.44Å; V211-E216 HydrophobicContact CG1-CG 4.16Å; V211-P217 HydrophobicContact CG2-CG 4.39Å |
| 212 | E | 92.6 | Very high | 83.8 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 149.8 | 170.5 | -60.2 | -65.4 | 160.9 | 0 | 0 | 109.7 | C178 R187 G214 S215 | C178-E212 WeakPolarHBondContact CB-OE2 3.49Å; R187-E212 IonicContact CZ-OE1 3.49Å; R187-E212 IonicContact CZ-OE2 2.79Å; R187-E212 IonicContact NH1-OE1 3.99Å; R187-E212 PolarHBondContact NH1-OE1 2.88Å; R187-E212 IonicContact NH1-OE2 2.68Å; R187-E212 PolarHBondContact NH1-OE2 3.03Å; R187-E212 IonicContact NH2-OE1 3.07Å; R187-E212 IonicContact NH2-OE2 2.72Å; R187-E212 PolarHBondContact NH2-OE2 2.69Å; E212-G214 PolarHBondContact O-N 2.83Å; E212-S215 WeakPolarHBondContact O-CB 3.22Å; E212-S215 PolarHBondContact O-N 3.14Å |
| 213 | E | 91.3 | Very high | 85.2 | Confident | 38 Ų | 38 | 61 Ų | 61 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 129.5 | 173 | 179.7 | 172.1 | -167.8 | 0 | 0 | 111.6 | K162 W177 C178 S180 S215 E216 K227 | K162-E213 WeakPolarHBondContact CG-OE2 3.48Å; W177-E213 HydrophobicContact CH2-CB 4.1Å; W177-E213 HydrophobicContact CH2-CG 4.28Å; W177-E213 HydrophobicContact CZ2-CB 3.67Å; W177-E213 HydrophobicContact CZ2-CG 3.81Å; C178-E213 PolarHBondContact O-N 3.49Å; S180-E213 WeakPolarHBondContact CB-OE2 3.49Å; S180-E213 PolarHBondContact N-OE2 3.29Å; S180-E213 PolarHBondContact OG-OE2 3.18Å; E213-S215 VanDerWaalsContact C-N 3.33Å; E213-E216 WeakPolarHBondContact CA-OE1 3.39Å; E213-K227 IonicContact OE1-NZ 3.69Å; E213-K227 PolarHBondContact OE1-NZ 2.9Å |
| 214 | G | 87.4 | Confident | 86.8 | Confident | 59 Ų | 59 | 58.4 Ų | 58.4 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -3.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | E212 E216 | E212-G214 PolarHBondContact O-N 2.83Å; G214-E216 VanDerWaalsContact CA-OE2 3.26Å; G214-E216 WeakPolarHBondContact CA-OE2 3.35Å; G214-E216 VanDerWaalsContact N-CD 3.35Å; G214-E216 PolarHBondContact N-OE1 2.74Å; G214-E216 PolarHBondContact N-OE2 3.16Å |
| 215 | S | 91.9 | Very high | 88.3 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 62% | 0.622 | 33% | 0.328 | S | S | * | . | trans | -115.2 | 27.6 | 175.4 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | E212 E213 | E212-S215 WeakPolarHBondContact O-CB 3.22Å; E212-S215 PolarHBondContact O-N 3.14Å; E213-S215 VanDerWaalsContact C-N 3.33Å | ||
| 216 | E | 93.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | trans | -66.9 | 128.2 | -174.4 | -62.2 | 80 | -172.1 | 0 | 0 | 112.7 | W157 W177 V211 E213 G214 L220 I221 K227 | W157-E216 HydrophobicContact CH2-CG 4.1Å; W177-E216 PolarHBondContact NE1-OE1 3.49Å; V211-E216 HydrophobicContact CG1-CB 4.44Å; V211-E216 HydrophobicContact CG1-CG 4.16Å; E213-E216 WeakPolarHBondContact CA-OE1 3.39Å; G214-E216 VanDerWaalsContact CA-OE2 3.26Å; G214-E216 WeakPolarHBondContact CA-OE2 3.35Å; G214-E216 VanDerWaalsContact N-CD 3.35Å; G214-E216 PolarHBondContact N-OE1 2.74Å; G214-E216 PolarHBondContact N-OE2 3.16Å; E216-L220 HydrophobicContact CB-CD2 4.39Å; E216-L220 HydrophobicContact CG-CD2 4.32Å; E216-I221 HydrophobicContact CB-CD1 3.91Å; E216-I221 HydrophobicContact CB-CG1 4.25Å; E216-K227 HydrophobicContact CG-CD 4.32Å; E216-K227 VanDerWaalsContact OE1-CD 3.24Å; E216-K227 WeakPolarHBondContact OE1-CD 3.41Å; E216-K227 WeakPolarHBondContact OE1-CE 3.29Å | ||
| 217 | P | 91.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | trans | -70.7 | 149.5 | 179.1 | 27.3 | -32.1 | 0 | 0 | 0 | 111.5 | Y175 V211 E219 L220 I221 | Y175-P217 HydrophobicContact CD1-CG 4.17Å; Y175-P217 HydrophobicContact CE1-CG 3.71Å; V211-P217 HydrophobicContact CG2-CG 4.39Å; P217-E219 PolarHBondContact O-N 3.1Å; P217-L220 HydrophobicContact CG-CB 3.98Å; P217-L220 WeakPolarHBondContact O-CB 3.37Å; P217-L220 PolarHBondContact O-N 3.03Å; P217-I221 PolarHBondContact O-N 3.41Å | ||
| 218 | S | 88.4 | Confident | 90.6 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -55.1 | -28.2 | -178.5 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | K222 | S218-K222 WeakPolarHBondContact O-CG 3.46Å; S218-K222 PolarHBondContact O-N 3.34Å |
| 219 | E | 88.1 | Confident | 90.7 | Very high | 80 Ų | 80 | 64 Ų | 64 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 175.5 | -170.2 | 171.5 | -171.2 | 0 | 0 | 112.4 | K173 Y175 P217 K222 V223 | K173-E219 IonicContact NZ-OE1 3.94Å; K173-E219 IonicContact NZ-OE2 3.88Å; K173-E219 PolarHBondContact NZ-OE2 3.41Å; Y175-E219 PolarHBondContact OH-OE2 3.5Å; Y175-E219 VanDerWaalsContact OH-OE2 3.12Å; P217-E219 PolarHBondContact O-N 3.1Å; E219-K222 PolarHBondContact O-N 2.88Å; E219-V223 WeakPolarHBondContact O-CG2 3.39Å; E219-V223 PolarHBondContact O-N 3.4Å |
| 220 | L | 88.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 176 | -173 | 64.4 | 0 | 0 | 0 | 111 | I168 Y175 E216 P217 K222 V223 L224 | I168-L220 HydrophobicContact CB-CD1 4.13Å; I168-L220 HydrophobicContact CD1-CD1 3.8Å; I168-L220 HydrophobicContact CD1-CD2 4.05Å; I168-L220 HydrophobicContact CG1-CD1 3.96Å; I168-L220 HydrophobicContact CG2-CD1 3.94Å; Y175-L220 HydrophobicContact CD2-CD1 4.26Å; Y175-L220 HydrophobicContact CG-CD1 4.4Å; E216-L220 HydrophobicContact CB-CD2 4.39Å; E216-L220 HydrophobicContact CG-CD2 4.32Å; P217-L220 HydrophobicContact CG-CB 3.98Å; P217-L220 WeakPolarHBondContact O-CB 3.37Å; P217-L220 PolarHBondContact O-N 3.03Å; L220-K222 VanDerWaalsContact C-N 3.3Å; L220-K222 PolarHBondContact O-N 3.29Å; L220-V223 PolarHBondContact O-N 2.91Å; L220-V223 VanDerWaalsContact O-N 3.07Å; L220-L224 HydrophobicContact CD1-CD1 3.8Å; L220-L224 HydrophobicContact CD1-CG 4.39Å; L220-L224 HydrophobicContact CG-CD1 4.01Å; L220-L224 PolarHBondContact O-N 3.03Å |
| 221 | I | 90.9 | Very high | 90.1 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 27% | 0.272 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -33.3 | 174.7 | -60.3 | -61.6 | 0 | 0 | 0 | 111.9 | W157 E216 P217 V223 G225 K227 | W157-I221 HydrophobicContact CZ2-CD1 4.14Å; E216-I221 HydrophobicContact CB-CD1 3.91Å; E216-I221 HydrophobicContact CB-CG1 4.25Å; P217-I221 PolarHBondContact O-N 3.41Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 2.86Å; I221-G225 CarbonylContact O-C 3.48Å; I221-G225 VanDerWaalsContact O-C 3.29Å; I221-G225 WeakPolarHBondContact O-CA 3.49Å; I221-G225 PolarHBondContact O-N 3.04Å; I221-K227 HydrophobicContact CD1-CB 4.33Å |
| 222 | K | 89.8 | Confident | 89.5 | Confident | 175 Ų | 175 | 68 Ų | 68 | 76% | 0.761 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.6 | -30.5 | 173.2 | -76 | 171.9 | -175.4 | 177.6 | 0 | 112.9 | S218 E219 L220 | S218-K222 WeakPolarHBondContact O-CG 3.46Å; S218-K222 PolarHBondContact O-N 3.34Å; E219-K222 PolarHBondContact O-N 2.88Å; L220-K222 VanDerWaalsContact C-N 3.3Å; L220-K222 PolarHBondContact O-N 3.29Å |
| 223 | V | 88.2 | Confident | 88.2 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -84.4 | -45.2 | -177.3 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | L155 L170 E219 L220 I221 | L155-V223 HydrophobicContact CD2-CG1 4.18Å; L170-V223 HydrophobicContact CD1-CG1 4.41Å; L170-V223 HydrophobicContact CD1-CG2 3.88Å; L170-V223 HydrophobicContact CD2-CG1 4.12Å; E219-V223 WeakPolarHBondContact O-CG2 3.39Å; E219-V223 PolarHBondContact O-N 3.4Å; L220-V223 PolarHBondContact O-N 2.91Å; L220-V223 VanDerWaalsContact O-N 3.07Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 2.86Å |
| 224 | L | 88.2 | Confident | 86.6 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -94.5 | -13.6 | -176.4 | -67.1 | 172.5 | 0 | 0 | 0 | 113.7 | L155 W157 F160 I168 L220 | L155-L224 HydrophobicContact CD1-CD2 3.67Å; L155-L224 HydrophobicContact CG-CD2 3.87Å; W157-L224 HydrophobicContact CD2-CB 4.31Å; W157-L224 HydrophobicContact CD2-CD1 4.41Å; W157-L224 HydrophobicContact CG-CB 4.43Å; W157-L224 HydrophobicContact CH2-CD1 4.02Å; W157-L224 HydrophobicContact CZ2-CB 4.07Å; W157-L224 HydrophobicContact CZ2-CD1 3.84Å; W157-L224 HydrophobicContact CZ3-CD1 4.39Å; W157-L224 PolarHBondContact NE1-O 2.87Å; F160-L224 HydrophobicContact CE2-CD1 4.01Å; F160-L224 HydrophobicContact CE2-CD2 4.47Å; F160-L224 HydrophobicContact CZ-CD1 3.89Å; I168-L224 HydrophobicContact CG1-CD1 4.47Å; L220-L224 HydrophobicContact CD1-CD1 3.8Å; L220-L224 HydrophobicContact CD1-CG 4.39Å; L220-L224 HydrophobicContact CG-CD1 4.01Å; L220-L224 PolarHBondContact O-N 3.03Å |
| 225 | G | 90.2 | Very high | 84.7 | Confident | 32 Ų | 32 | 69 Ų | 69 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | trans | 86.4 | -177.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W157 I221 K227 | W157-G225 PolarHBondContact NE1-O 3.39Å; I221-G225 CarbonylContact O-C 3.48Å; I221-G225 VanDerWaalsContact O-C 3.29Å; I221-G225 WeakPolarHBondContact O-CA 3.49Å; I221-G225 PolarHBondContact O-N 3.04Å; G225-K227 PolarHBondContact O-N 2.93Å | ||
| 226 | G | 88.9 | Confident | 82.6 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 65% | 0.649 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -62.4 | 130.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P228 | G226-P228 WeakPolarHBondContact O-CD 3.47Š|
| 227 | K | 90.6 | Very high | 80.4 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | trans | -67.3 | 120 | -178.1 | -170.4 | 176.2 | 84.9 | 80.2 | 0 | 110.5 | W157 E213 E216 I221 G225 | W157-K227 HydrophobicContact CD2-CB 4.49Å; W157-K227 HydrophobicContact CD2-CG 4.17Å; W157-K227 HydrophobicContact CE3-CG 4.15Å; W157-K227 HydrophobicContact CH2-CB 4.37Å; W157-K227 HydrophobicContact CH2-CD 3.89Å; W157-K227 HydrophobicContact CH2-CG 3.94Å; W157-K227 HydrophobicContact CZ2-CB 3.87Å; W157-K227 HydrophobicContact CZ2-CD 4.26Å; W157-K227 HydrophobicContact CZ2-CG 3.93Å; W157-K227 HydrophobicContact CZ3-CD 4.11Å; W157-K227 HydrophobicContact CZ3-CG 4.05Å; E213-K227 IonicContact OE1-NZ 3.69Å; E213-K227 PolarHBondContact OE1-NZ 2.9Å; E216-K227 HydrophobicContact CG-CD 4.32Å; E216-K227 VanDerWaalsContact OE1-CD 3.24Å; E216-K227 WeakPolarHBondContact OE1-CD 3.41Å; E216-K227 WeakPolarHBondContact OE1-CE 3.29Å; I221-K227 HydrophobicContact CD1-CB 4.33Å; G225-K227 PolarHBondContact O-N 2.93Å | ||
| 228 | P | 91.1 | Very high | 78.1 | Confident | 60 Ų | 60 | 72.7 Ų | 72.7 | 39% | 0.39 | 42% | 0.422 | S | S | . | . | trans | -76.9 | 178.5 | 171.8 | 33.9 | -34.1 | 0 | 0 | 0 | 110.9 | W157 G226 L230 | W157-P228 HydrophobicContact CB-CG 3.85Å; W157-P228 VanDerWaalsContact CG-CD 3.48Å; W157-P228 HydrophobicContact CG-CG 4.29Å; G226-P228 WeakPolarHBondContact O-CD 3.47Å; P228-L230 HydrophobicContact CG-CD2 4.32Å; P228-L230 PolarHBondContact O-N 2.82Å | ||
| 229 | E | 90.6 | Very high | 75.8 | Confident | 179 Ų | 179 | 73.1 Ų | 73.1 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 125 | 164.8 | -169 | 172.5 | -173.6 | 0 | 0 | 109.1 | ||
| 230 | L | 90.9 | Very high | 73.6 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -90 | 147 | -176 | -62.6 | 178.6 | 0 | 0 | 0 | 111.1 | W157 F160 K162 W177 P228 | W157-L230 HydrophobicContact CE3-CD2 4.2Å; F160-L230 HydrophobicContact CB-CD1 3.98Å; F160-L230 HydrophobicContact CB-CD2 3.85Å; K162-L230 WeakPolarHBondContact CE-O 3.33Å; K162-L230 HydrophobicContact CG-CB 4.07Å; K162-L230 PolarHBondContact NZ-O 2.74Å; W177-L230 HydrophobicContact CH2-CD1 3.47Å; W177-L230 VanDerWaalsContact CH2-CD1 3.47Å; W177-L230 HydrophobicContact CZ2-CD1 3.68Å; P228-L230 HydrophobicContact CG-CD2 4.32Å; P228-L230 PolarHBondContact O-N 2.82Å |
| 231 | P | 86.4 | Confident | 71.3 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 154.3 | 174.4 | 30.1 | -34.7 | 0 | 0 | 0 | 111.6 | N161 K162 | N161-P231 WeakPolarHBondContact CA-O 3.45Å; N161-P231 HydrophobicContact CB-CG 4.17Å; K162-P231 PolarHBondContact N-O 3.21Å |
| 232 | D | 81.9 | Confident | 68.8 | Low | 121 Ų | 121 | 74.9 Ų | 74.9 | 65% | 0.647 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 149.1 | 170.7 | -59.9 | -29.9 | 0 | 0 | 0 | 110.2 | K162 | K162-D232 WeakPolarHBondContact CD-OD1 3.16Å; K162-D232 IonicContact NZ-OD1 2.99Å; K162-D232 PolarHBondContact NZ-OD1 2.79Å |
| 233 | G | 65.2 | Low | 66.4 | Low | 26 Ų | 26 | 70.6 Ų | 70.6 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 132.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 234 | G | 56.5 | Low | 64.2 | Low | 35 Ų | 35 | 70.4 Ų | 70.4 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 122.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | D236 D237 | G234-D236 VanDerWaalsContact C-N 3.3Å; G234-D236 PolarHBondContact O-N 3.25Å; G234-D237 PolarHBondContact O-N 3.28Å |
| 235 | D | 47.4 | Very low | 62 | Low | 130 Ų | 130 | 71.7 Ų | 71.7 | 70% | 0.695 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.1 | -25.3 | 175.3 | -78.3 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 236 | D | 47.7 | Very low | 59.8 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 66% | 0.663 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -73.3 | -27.6 | 178.2 | -81.5 | -24.5 | 0 | 0 | 0 | 112.9 | G234 I239 I240 | G234-D236 VanDerWaalsContact C-N 3.3Å; G234-D236 PolarHBondContact O-N 3.25Å; D236-I239 PolarHBondContact O-N 2.91Å; D236-I240 WeakPolarHBondContact O-CG1 3.07Å; D236-I240 PolarHBondContact O-N 2.91Å |
| 237 | D | 47.8 | Very low | 57.8 | Low | 96 Ų | 96 | 79.6 Ų | 79.6 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -76 | -28.2 | -178 | -77.1 | -26.6 | 0 | 0 | 0 | 112.7 | G234 I239 I240 A241 | G234-D237 PolarHBondContact O-N 3.28Å; D237-I239 VanDerWaalsContact C-N 3.33Å; D237-I240 PolarHBondContact O-N 3.31Å; D237-A241 VanDerWaalsContact O-CB 3.31Å; D237-A241 WeakPolarHBondContact O-CB 3.35Å; D237-A241 PolarHBondContact O-N 3.16Å |
| 238 | D | 44 | Very low | 56.5 | Low | 22 Ų | 22 | 79 Ų | 79 | 12% | 0.118 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 174.8 | -81.4 | -0.6 | 0 | 0 | 0 | 111.7 | K143 D242 | K143-D238 WeakPolarHBondContact CE-OD1 3.5Å; K143-D238 IonicContact NZ-OD1 3.86Å; K143-D238 PolarHBondContact NZ-OD1 3.11Å; D238-D242 WeakPolarHBondContact O-CB 3.28Å; D238-D242 PolarHBondContact O-N 2.85Å |
| 239 | I | 39.3 | Very low | 55.6 | Low | 99 Ų | 99 | 76.3 Ų | 76.3 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.2 | -41 | 175.7 | -62.6 | 175.2 | 0 | 0 | 0 | 110.2 | D236 D237 D242 I243 | D236-I239 PolarHBondContact O-N 2.91Å; D237-I239 VanDerWaalsContact C-N 3.33Å; I239-D242 PolarHBondContact O-N 2.81Å; I239-I243 HydrophobicContact CG2-CD1 3.68Å; I239-I243 HydrophobicContact CG2-CG1 4.41Å; I239-I243 WeakPolarHBondContact O-CB 3.28Å; I239-I243 WeakPolarHBondContact O-CD1 3.4Å; I239-I243 WeakPolarHBondContact O-CG1 3.27Å; I239-I243 PolarHBondContact O-N 3.03Å |
| 240 | I | 42.7 | Very low | 55.5 | Low | 106 Ų | 106 | 71.2 Ų | 71.2 | 54% | 0.544 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 177.9 | -66.4 | 168.4 | 0 | 0 | 0 | 111.3 | D236 D237 I243 S244 | D236-I240 WeakPolarHBondContact O-CG1 3.07Å; D236-I240 PolarHBondContact O-N 2.91Å; D237-I240 PolarHBondContact O-N 3.31Å; I240-I243 PolarHBondContact O-N 3.09Å; I240-S244 PolarHBondContact O-N 3.3Å |
| 241 | A | 39.8 | Very low | 55.4 | Low | 43 Ų | 43 | 70.9 Ų | 70.9 | 36% | 0.355 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D237 S244 N245 | D237-A241 VanDerWaalsContact O-CB 3.31Å; D237-A241 WeakPolarHBondContact O-CB 3.35Å; D237-A241 PolarHBondContact O-N 3.16Å; A241-S244 PolarHBondContact O-OG 3.1Å; A241-S244 VanDerWaalsContact O-OG 3.13Å; A241-N245 WeakPolarHBondContact O-CB 3.32Å; A241-N245 PolarHBondContact O-N 2.87Å; A241-N245 VanDerWaalsContact O-N 3.12Å; A241-N245 PolarHBondContact O-ND2 3.38Å |
| 242 | D | 37.3 | Very low | 55.6 | Low | 21 Ų | 21 | 68 Ų | 68 | 11% | 0.112 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.4 | -38 | 173.6 | -100.3 | 12.6 | 0 | 0 | 0 | 112.4 | R146 D238 I239 R246 | R146-D242 WeakPolarHBondContact CD-OD2 3.34Å; R146-D242 IonicContact NH1-OD2 3.32Å; D238-D242 WeakPolarHBondContact O-CB 3.28Å; D238-D242 PolarHBondContact O-N 2.85Å; I239-D242 PolarHBondContact O-N 2.81Å; D242-R246 WeakPolarHBondContact O-CD 3.34Å; D242-R246 WeakPolarHBondContact O-CG 3.42Å; D242-R246 PolarHBondContact O-N 3.5Å; D242-R246 PolarHBondContact O-NE 3.36Å; D242-R246 IonicContact OD2-NH2 3.94Å; D242-R246 PolarHBondContact OD2-NH2 2.77Å |
| 243 | I | 39.1 | Very low | 55.8 | Low | 84 Ų | 84 | 64.4 Ų | 64.4 | 43% | 0.431 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70 | -38.5 | 177.4 | -71.7 | 166.2 | 0 | 0 | 0 | 111.3 | I239 I240 R246 | I239-I243 HydrophobicContact CG2-CD1 3.68Å; I239-I243 HydrophobicContact CG2-CG1 4.41Å; I239-I243 WeakPolarHBondContact O-CB 3.28Å; I239-I243 WeakPolarHBondContact O-CD1 3.4Å; I239-I243 WeakPolarHBondContact O-CG1 3.27Å; I239-I243 PolarHBondContact O-N 3.03Å; I240-I243 PolarHBondContact O-N 3.09Å; I243-R246 PolarHBondContact O-N 3.5Å |
| 244 | S | 43.4 | Very low | 56.6 | Low | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.4 | 81.6 | 0 | 0 | 0 | 0 | 110.8 | I240 A241 R246 K247 M248 | I240-S244 PolarHBondContact O-N 3.3Å; A241-S244 PolarHBondContact O-OG 3.1Å; A241-S244 VanDerWaalsContact O-OG 3.13Å; S244-R246 VanDerWaalsContact C-N 3.29Å; S244-R246 PolarHBondContact O-N 3.43Å; S244-K247 PolarHBondContact O-N 3.49Å; S244-M248 WeakPolarHBondContact O-CG 3.41Å |
| 245 | N | 41.3 | Very low | 57.5 | Low | 47 Ų | 47 | 62.5 Ų | 62.5 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.6 | -21.9 | 178.8 | -72.8 | -38.8 | 0 | 0 | 0 | 114.3 | R149 A241 | R149-N245 PolarHBondContact NH1-ND2 2.97Å; R149-N245 PolarHBondContact NH1-OD1 2.71Å; R149-N245 PolarHBondContact NH2-OD1 3.07Å; A241-N245 WeakPolarHBondContact O-CB 3.32Å; A241-N245 PolarHBondContact O-N 2.87Å; A241-N245 VanDerWaalsContact O-N 3.12Å; A241-N245 PolarHBondContact O-ND2 3.38Å |
| 246 | R | 44.5 | Very low | 58.6 | Low | 111 Ų | 111 | 58.3 Ų | 58.3 | 42% | 0.419 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.5 | 179.3 | -74.2 | 166.1 | -154.5 | -151.6 | 3.2 | 114.4 | D242 I243 S244 G624 | D242-R246 WeakPolarHBondContact O-CD 3.34Å; D242-R246 WeakPolarHBondContact O-CG 3.42Å; D242-R246 PolarHBondContact O-N 3.5Å; D242-R246 PolarHBondContact O-NE 3.36Å; D242-R246 IonicContact OD2-NH2 3.94Å; D242-R246 PolarHBondContact OD2-NH2 2.77Å; I243-R246 PolarHBondContact O-N 3.5Å; S244-R246 VanDerWaalsContact C-N 3.29Å; S244-R246 PolarHBondContact O-N 3.43Å; R246-G624 PolarHBondContact NH1-O 3.32Å; R246-G624 PolarHBondContact NH2-O 3.01Å |
| 247 | K | 47.2 | Very low | 59.3 | Low | 150 Ų | 150 | 56.6 Ų | 56.6 | 65% | 0.652 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 25.3 | -173.6 | -67.9 | -172.7 | 174.3 | -174.8 | 0 | 114.4 | S244 | S244-K247 PolarHBondContact O-N 3.49Š|
| 248 | M | 63.6 | Low | 59.6 | Low | 56 Ų | 56 | 55.3 Ų | 55.3 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | trans | -115 | 2.3 | -161.4 | -76.7 | 174.9 | 76.4 | 0 | 0 | 116.3 | S244 A289 | S244-M248 WeakPolarHBondContact O-CG 3.41Å; M248-A289 HydrophobicContact CE-CB 3.12Å | ||
| 249 | A | 72.1 | Confident | 60.1 | Low | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 33% | 0.334 | C | S | . | . | trans | -112.7 | 132.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | E269 N270 F272 L285 D286 F343 | A249-E269 WeakPolarHBondContact O-CA 3.15Å; A249-N270 HydrophobicContact CB-CB 4.1Å; A249-N270 PolarHBondContact N-OD1 2.93Å; A249-N270 PolarHBondContact O-N 3.04Å; A249-F272 HydrophobicContact CB-CE2 4.24Å; A249-F272 HydrophobicContact CB-CZ 4.06Å; A249-F272 WeakPolarHBondContact O-CZ 3.46Å; A249-L285 HydrophobicContact CB-CD2 3.95Å; A249-D286 CarbonylContact C-O 3.38Å; A249-D286 WeakPolarHBondContact CA-O 3.43Å; A249-F343 HydrophobicContact CB-CD1 3.74Å; A249-F343 HydrophobicContact CB-CE1 3.76Å | ||
| 250 | K | 88.1 | Confident | 61.3 | Low | 73 Ų | 73 | 56.1 Ų | 56.1 | 32% | 0.317 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 147.9 | 172.6 | -67.1 | -172.9 | 179.6 | -157.2 | 0 | 110.2 | Y252 A267 E268 F272 L285 D286 | K250-Y252 HydrophobicContact CB-CD2 4.2Å; K250-Y252 HydrophobicContact CB-CE2 3.47Å; K250-Y252 VanDerWaalsContact CB-CE2 3.47Å; K250-Y252 HydrophobicContact CD-CE2 4.31Å; K250-Y252 WeakPolarHBondContact CD-OH 3.31Å; K250-A267 WeakPolarHBondContact CA-O 3.14Å; K250-E268 VanDerWaalsContact CE-OE2 3.28Å; K250-E268 WeakPolarHBondContact CE-OE2 3.2Å; K250-E268 WeakPolarHBondContact CG-O 3.48Å; K250-E268 IonicContact NZ-OE2 2.69Å; K250-E268 PolarHBondContact NZ-OE2 2.73Å; K250-F272 VanDerWaalsContact C-CZ 3.47Å; K250-L285 CarbonylContact O-C 3.55Å; K250-D286 HydrophobicContact CB-CB 4.29Å; K250-D286 PolarHBondContact N-O 2.79Å; K250-D286 PolarHBondContact O-N 2.83Å |
| 251 | L | 88 | Confident | 62.6 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.5 | 174 | -170.6 | 66.5 | 0 | 0 | 0 | 108.9 | V266 A267 F272 M276 L277 F283 L285 F344 | L251-V266 HydrophobicContact CD2-CB 4.5Å; L251-V266 HydrophobicContact CD2-CG1 4.28Å; L251-V266 HydrophobicContact CG-CB 4.39Å; L251-V266 WeakPolarHBondContact O-CA 3.24Å; L251-V266 WeakPolarHBondContact O-CB 3.34Å; L251-V266 PolarHBondContact O-N 3.37Å; L251-A267 HydrophobicContact CB-CB 4.11Å; L251-A267 PolarHBondContact N-O 2.87Å; L251-A267 PolarHBondContact O-N 2.86Å; L251-F272 HydrophobicContact CB-CD1 3.91Å; L251-F272 HydrophobicContact CB-CD2 4.24Å; L251-F272 HydrophobicContact CB-CE1 3.74Å; L251-F272 HydrophobicContact CB-CE2 4.1Å; L251-F272 HydrophobicContact CB-CG 4.15Å; L251-F272 HydrophobicContact CB-CZ 3.83Å; L251-F272 HydrophobicContact CD2-CB 4.37Å; L251-F272 HydrophobicContact CD2-CG 4.24Å; L251-M276 HydrophobicContact CD2-CB 3.87Å; L251-M276 HydrophobicContact CD2-SD 4.3Å; L251-L277 HydrophobicContact CD1-CD2 4.36Å; L251-L277 HydrophobicContact CD2-CD2 4.42Å; L251-F283 HydrophobicContact CD1-CB 4.13Å; L251-F283 HydrophobicContact CG-CD1 4.36Å; L251-L285 HydrophobicContact CD1-CB 4.26Å; L251-F344 HydrophobicContact CD2-CE1 4.44Å |
| 252 | Y | 90.1 | Very high | 64.2 | Low | 19 Ų | 19 | 59.5 Ų | 59.5 | 8% | 0.075 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.3 | 177.3 | -62.7 | -98.8 | 0 | 0 | 0 | 110.3 | K250 V263 T264 V265 F283 I284 D286 F316 M320 | K250-Y252 HydrophobicContact CB-CD2 4.2Å; K250-Y252 HydrophobicContact CB-CE2 3.47Å; K250-Y252 VanDerWaalsContact CB-CE2 3.47Å; K250-Y252 HydrophobicContact CD-CE2 4.31Å; K250-Y252 WeakPolarHBondContact CD-OH 3.31Å; Y252-V263 HydrophobicContact CD1-CG1 3.68Å; Y252-V263 HydrophobicContact CG-CG1 3.87Å; Y252-T264 CarbonylContact C-O 3.43Å; Y252-T264 WeakPolarHBondContact CA-O 3.42Å; Y252-T264 WeakPolarHBondContact CB-O 3.23Å; Y252-V265 HydrophobicContact CD1-CB 4.37Å; Y252-V265 HydrophobicContact CD1-CG2 3.78Å; Y252-V265 HydrophobicContact CE1-CB 4.33Å; Y252-V265 HydrophobicContact CE1-CG2 3.33Å; Y252-F283 CarbonylContact O-C 3.6Å; Y252-F283 WeakPolarHBondContact O-CA 3.38Å; Y252-F283 WeakPolarHBondContact O-CB 3.49Å; Y252-F283 WeakPolarHBondContact O-CD1 3.44Å; Y252-I284 PolarHBondContact N-O 2.95Å; Y252-I284 PolarHBondContact O-N 2.82Å; Y252-D286 HydrophobicContact CD2-CB 3.99Å; Y252-D286 HydrophobicContact CE2-CB 3.61Å; Y252-F316 HydrophobicContact CD1-CE2 4.21Å; Y252-F316 AromaticContact CD2-CE2 3.94Å; Y252-F316 HydrophobicContact CD2-CE2 3.94Å; Y252-F316 AromaticContact CD2-CZ 3.76Å; Y252-F316 HydrophobicContact CD2-CZ 3.76Å; Y252-F316 HydrophobicContact CE1-CE2 4.21Å; Y252-F316 AromaticContact CE2-CE2 3.99Å; Y252-F316 HydrophobicContact CE2-CE2 3.99Å; Y252-F316 AromaticContact CE2-CZ 3.57Å; Y252-F316 HydrophobicContact CE2-CZ 3.57Å; Y252-F316 HydrophobicContact CG-CE2 4.08Å; Y252-F316 HydrophobicContact CG-CZ 4.37Å; Y252-M320 HydrophobicContact CE2-CE 4.34Å; Y252-M320 WeakPolarHBondContact OH-CE 3.39Å |
| 253 | M | 86.5 | Confident | 66.4 | Low | 47 Ų | 47 | 60.4 Ų | 60.4 | 23% | 0.232 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140 | 169.3 | -174.9 | 175.6 | 72.8 | 0 | 0 | 109 | V263 T264 V266 E281 F283 | M253-V263 CarbonylContact O-C 3.49Å; M253-V263 WeakPolarHBondContact O-CA 3.37Å; M253-T264 PolarHBondContact N-O 3.25Å; M253-T264 PolarHBondContact O-N 3.34Å; M253-V266 HydrophobicContact CB-CG2 3.46Å; M253-V266 VanDerWaalsContact CB-CG2 3.46Å; M253-E281 HydrophobicContact CG-CB 4.13Å; M253-E281 HydrophobicContact CG-CG 4.37Å; M253-E281 HydrophobicContact SD-CB 4.35Å; M253-E281 HydrophobicContact SD-CG 3.99Å; M253-F283 HydrophobicContact CB-CD1 4.04Å; M253-F283 HydrophobicContact CB-CE1 3.83Å; M253-F283 HydrophobicContact CG-CD1 4.39Å; M253-F283 HydrophobicContact CG-CE1 3.91Å; M253-F283 HydrophobicContact CG-CZ 4.17Å; M253-F283 HydrophobicContact SD-CE1 4.39Å; M253-F283 HydrophobicContact SD-CZ 4.44Å |
| 254 | V | 82.9 | Confident | 68.5 | Low | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 114.5 | 175.8 | 177.8 | 0 | 0 | 0 | 0 | 106.6 | M261 R262 V263 C282 I284 T312 | V254-M261 HydrophobicContact CG1-CG 3.94Å; V254-M261 HydrophobicContact CG1-SD 3.42Å; V254-M261 WeakPolarHBondContact CG1-SD 3.34Å; V254-R262 WeakPolarHBondContact CA-O 3.4Å; V254-V263 HydrophobicContact CG2-CG2 4.37Å; V254-C282 HydrophobicContact CB-CB 4.08Å; V254-C282 PolarHBondContact N-O 2.81Å; V254-I284 HydrophobicContact CG2-CD1 3.8Å; V254-I284 HydrophobicContact CG2-CG1 3.76Å; V254-T312 HydrophobicContact CG1-CG2 3.85Å; V254-T312 HydrophobicContact CG2-CG2 4.08Å |
| 255 | S | 75.1 | Confident | 70.5 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 12% | 0.119 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 137.7 | -176.7 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | R262 E281 | S255-R262 PolarHBondContact N-O 2.84Å; S255-R262 PolarHBondContact O-N 2.78Å; S255-E281 WeakPolarHBondContact CB-OE2 3.45Å; S255-E281 PolarHBondContact OG-OE2 3.22Å |
| 256 | D | 69.4 | Low | 72.5 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | trans | -98.5 | 1.2 | 176.2 | 77.1 | 6.4 | 0 | 0 | 0 | 114.6 | S258 G259 M261 N302 E305 | D256-S258 PolarHBondContact O-N 3.24Å; D256-G259 PolarHBondContact O-N 2.88Å; D256-M261 HydrophobicContact CB-CE 4.22Å; D256-M261 HydrophobicContact CB-SD 4.12Å; D256-N302 PolarHBondContact OD2-ND2 3.09Å; D256-E305 HydrophobicContact CB-CG 4.38Å; D256-E305 WeakPolarHBondContact CB-OE1 3.39Å; D256-E305 PolarHBondContact N-OE1 2.9Å | ||
| 257 | A | 62.2 | Low | 74.2 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -17.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | G259 | A257-G259 VanDerWaalsContact C-N 3.34Š|
| 258 | S | 55.3 | Low | 75.8 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.9 | 174.8 | 73.9 | 0 | 0 | 0 | 0 | 115.1 | D256 S260 R262 | D256-S258 PolarHBondContact O-N 3.24Å; S258-S260 VanDerWaalsContact C-N 3.32Å; S258-S260 PolarHBondContact OG-O 2.68Å; S258-S260 PolarHBondContact OG-OG 2.75Å; S258-R262 WeakPolarHBondContact OG-CD 3.43Å; S258-R262 PolarHBondContact OG-NE 3.26Å |
| 259 | G | 55.2 | Low | 76.2 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 81% | 0.814 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 83.9 | 3.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D256 A257 | D256-G259 PolarHBondContact O-N 2.88Å; A257-G259 VanDerWaalsContact C-N 3.34Å |
| 260 | S | 64.1 | Low | 75.7 | Confident | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -152.5 | 145.7 | 174.7 | 59 | 0 | 0 | 0 | 0 | 109.1 | S258 R262 | S258-S260 VanDerWaalsContact C-N 3.32Å; S258-S260 PolarHBondContact OG-O 2.68Å; S258-S260 PolarHBondContact OG-OG 2.75Å; S260-R262 PolarHBondContact O-N 3.46Å |
| 261 | M | 68.4 | Low | 74.2 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 34% | 0.34 | 35% | 0.35 | S | S | . | . | trans | -64.2 | 122.4 | -179.9 | -162.8 | 65.9 | 73.5 | 0 | 0 | 110.7 | V254 D256 E305 A308 | V254-M261 HydrophobicContact CG1-CG 3.94Å; V254-M261 HydrophobicContact CG1-SD 3.42Å; V254-M261 WeakPolarHBondContact CG1-SD 3.34Å; D256-M261 HydrophobicContact CB-CE 4.22Å; D256-M261 HydrophobicContact CB-SD 4.12Å; M261-E305 HydrophobicContact CE-CB 4.29Å; M261-E305 HydrophobicContact CE-CG 3.61Å; M261-E305 HydrophobicContact SD-CG 4.01Å; M261-A308 HydrophobicContact CE-CB 4.38Å | ||
| 262 | R | 75.5 | Confident | 73.5 | Confident | 152 Ų | 152 | 59.2 Ų | 59.2 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.2 | 177.9 | -67.6 | -173.3 | -178 | -151.5 | 0.5 | 111.2 | V254 S255 S258 S260 | V254-R262 WeakPolarHBondContact CA-O 3.4Å; S255-R262 PolarHBondContact N-O 2.84Å; S255-R262 PolarHBondContact O-N 2.78Å; S258-R262 WeakPolarHBondContact OG-CD 3.43Å; S258-R262 PolarHBondContact OG-NE 3.26Å; S260-R262 PolarHBondContact O-N 3.46Å |
| 263 | V | 82.1 | Confident | 72.7 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.7 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | Y252 M253 V254 T312 F316 | Y252-V263 HydrophobicContact CD1-CG1 3.68Å; Y252-V263 HydrophobicContact CG-CG1 3.87Å; M253-V263 CarbonylContact O-C 3.49Å; M253-V263 WeakPolarHBondContact O-CA 3.37Å; V254-V263 HydrophobicContact CG2-CG2 4.37Å; V263-T312 HydrophobicContact CG2-CG2 4.41Å; V263-F316 HydrophobicContact CG1-CD2 3.97Å; V263-F316 HydrophobicContact CG1-CE2 3.97Å |
| 264 | T | 82.6 | Confident | 72.1 | Confident | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.3 | 179.8 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | Y252 M253 V266 | Y252-T264 CarbonylContact C-O 3.43Å; Y252-T264 WeakPolarHBondContact CA-O 3.42Å; Y252-T264 WeakPolarHBondContact CB-O 3.23Å; M253-T264 PolarHBondContact N-O 3.25Å; M253-T264 PolarHBondContact O-N 3.34Å; T264-V266 PolarHBondContact O-N 2.64Å |
| 265 | V | 86.1 | Confident | 72 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 39% | 0.394 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 130.5 | 178 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | Y252 E268 | Y252-V265 HydrophobicContact CD1-CB 4.37Å; Y252-V265 HydrophobicContact CD1-CG2 3.78Å; Y252-V265 HydrophobicContact CE1-CB 4.33Å; Y252-V265 HydrophobicContact CE1-CG2 3.33Å; V265-E268 HydrophobicContact CG1-CG 4.01Å |
| 266 | V | 83.3 | Confident | 72.2 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -39.3 | 174 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | L251 M253 T264 M276 F283 | L251-V266 HydrophobicContact CD2-CB 4.5Å; L251-V266 HydrophobicContact CD2-CG1 4.28Å; L251-V266 HydrophobicContact CG-CB 4.39Å; L251-V266 WeakPolarHBondContact O-CA 3.24Å; L251-V266 WeakPolarHBondContact O-CB 3.34Å; L251-V266 PolarHBondContact O-N 3.37Å; M253-V266 HydrophobicContact CB-CG2 3.46Å; M253-V266 VanDerWaalsContact CB-CG2 3.46Å; T264-V266 PolarHBondContact O-N 2.64Å; V266-M276 HydrophobicContact CG1-CB 4.12Å; V266-M276 HydrophobicContact CG1-CG 4.42Å; V266-F283 HydrophobicContact CG2-CD1 4.22Å; V266-F283 HydrophobicContact CG2-CE1 4.02Å |
| 267 | A | 80.3 | Confident | 73 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 130.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K250 L251 E269 F272 M276 | K250-A267 WeakPolarHBondContact CA-O 3.14Å; L251-A267 HydrophobicContact CB-CB 4.11Å; L251-A267 PolarHBondContact N-O 2.87Å; L251-A267 PolarHBondContact O-N 2.86Å; A267-E269 VanDerWaalsContact C-N 3.35Å; A267-F272 HydrophobicContact CB-CD1 3.52Å; A267-F272 HydrophobicContact CB-CE1 3.67Å; A267-M276 HydrophobicContact CB-CE 4.47Å; A267-M276 HydrophobicContact CB-SD 4.1Å |
| 268 | E | 80.3 | Confident | 74.1 | Confident | 112 Ų | 112 | 64.5 Ų | 64.5 | 52% | 0.523 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -80.4 | -15.8 | -179.1 | -70.1 | -74.7 | -177.3 | 0 | 0 | 113.2 | K250 V265 | K250-E268 VanDerWaalsContact CE-OE2 3.28Å; K250-E268 WeakPolarHBondContact CE-OE2 3.2Å; K250-E268 WeakPolarHBondContact CG-O 3.48Å; K250-E268 IonicContact NZ-OE2 2.69Å; K250-E268 PolarHBondContact NZ-OE2 2.73Å; V265-E268 HydrophobicContact CG1-CG 4.01Å |
| 269 | E | 73.7 | Confident | 75.6 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 61% | 0.607 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -153.9 | 147.2 | -178.9 | 59.2 | -176.9 | -170.2 | 0 | 0 | 112.2 | A249 A267 F272 | A249-E269 WeakPolarHBondContact O-CA 3.15Å; A267-E269 VanDerWaalsContact C-N 3.35Å; E269-F272 VanDerWaalsContact C-CE1 3.49Å; E269-F272 WeakPolarHBondContact O-CD1 3.35Å; E269-F272 VanDerWaalsContact O-CE1 3.31Å; E269-F272 WeakPolarHBondContact O-CE1 3.43Å |
| 270 | N | 61.3 | Low | 77 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -87.2 | 158.4 | 172.4 | 68.7 | -70.3 | 0 | 0 | 0 | 111.1 | A249 F272 F343 | A249-N270 HydrophobicContact CB-CB 4.1Å; A249-N270 PolarHBondContact N-OD1 2.93Å; A249-N270 PolarHBondContact O-N 3.04Å; N270-F272 HydrophobicContact CB-CD1 4.31Å; N270-F272 HydrophobicContact CB-CD2 4.29Å; N270-F272 HydrophobicContact CB-CE1 3.92Å; N270-F272 HydrophobicContact CB-CE2 3.88Å; N270-F272 HydrophobicContact CB-CG 4.49Å; N270-F272 HydrophobicContact CB-CZ 3.69Å; N270-F343 HydrophobicContact CB-CD1 4.48Å |
| 271 | P | 55.4 | Low | 78 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | S | Bend | cis | -80.1 | 135 | 7.2 | 33.8 | -35.9 | 0 | 0 | 0 | 113.5 | F343 K345 | P271-F343 CarbonylContact C-O 3.54Å; P271-F343 VanDerWaalsContact CA-O 3.28Å; P271-F343 WeakPolarHBondContact CA-O 3.46Å; P271-K345 HydrophobicContact CB-CB 3.95Å; P271-K345 HydrophobicContact CG-CB 4.06Å |
| 272 | F | 73.6 | Confident | 79 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 166.9 | 178.9 | -50.2 | -52 | 0 | 0 | 0 | 111.7 | A249 K250 L251 A267 E269 N270 M276 L285 F343 F344 K345 | A249-F272 HydrophobicContact CB-CE2 4.24Å; A249-F272 HydrophobicContact CB-CZ 4.06Å; A249-F272 WeakPolarHBondContact O-CZ 3.46Å; K250-F272 VanDerWaalsContact C-CZ 3.47Å; L251-F272 HydrophobicContact CB-CD1 3.91Å; L251-F272 HydrophobicContact CB-CD2 4.24Å; L251-F272 HydrophobicContact CB-CE1 3.74Å; L251-F272 HydrophobicContact CB-CE2 4.1Å; L251-F272 HydrophobicContact CB-CG 4.15Å; L251-F272 HydrophobicContact CB-CZ 3.83Å; L251-F272 HydrophobicContact CD2-CB 4.37Å; L251-F272 HydrophobicContact CD2-CG 4.24Å; A267-F272 HydrophobicContact CB-CD1 3.52Å; A267-F272 HydrophobicContact CB-CE1 3.67Å; E269-F272 VanDerWaalsContact C-CE1 3.49Å; E269-F272 WeakPolarHBondContact O-CD1 3.35Å; E269-F272 VanDerWaalsContact O-CE1 3.31Å; E269-F272 WeakPolarHBondContact O-CE1 3.43Å; N270-F272 HydrophobicContact CB-CD1 4.31Å; N270-F272 HydrophobicContact CB-CD2 4.29Å; N270-F272 HydrophobicContact CB-CE1 3.92Å; N270-F272 HydrophobicContact CB-CE2 3.88Å; N270-F272 HydrophobicContact CB-CG 4.49Å; N270-F272 HydrophobicContact CB-CZ 3.69Å; F272-M276 HydrophobicContact CB-SD 4.01Å; F272-L285 HydrophobicContact CD2-CD1 4.25Å; F272-L285 HydrophobicContact CD2-CG 4.49Å; F272-L285 HydrophobicContact CE2-CD1 3.96Å; F272-L285 HydrophobicContact CE2-CD2 4.29Å; F272-L285 HydrophobicContact CE2-CG 3.79Å; F272-F343 HydrophobicContact CD2-CB 3.97Å; F272-F343 HydrophobicContact CE2-CB 4.09Å; F272-F343 PolarHBondContact N-O 2.89Å; F272-F344 HydrophobicContact CB-CD1 3.6Å; F272-F344 HydrophobicContact CB-CE1 3.67Å; F272-F344 HydrophobicContact CB-CG 4.28Å; F272-F344 HydrophobicContact CB-CZ 4.4Å; F272-F344 HydrophobicContact CD2-CE1 4.28Å; F272-F344 HydrophobicContact CD2-CE2 4.49Å; F272-F344 HydrophobicContact CD2-CZ 4.19Å; F272-F344 HydrophobicContact CG-CE1 4.41Å; F272-F344 CarbonylContact O-C 3.57Å; F272-F344 WeakPolarHBondContact O-CA 3.26Å; F272-K345 WeakPolarHBondContact O-CG 3.44Å; F272-K345 PolarHBondContact O-N 2.79Å |
| 273 | S | 73.6 | Confident | 79.8 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 12% | 0.119 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 139.6 | 168.5 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | A275 M276 D346 | S273-A275 PolarHBondContact O-N 2.79Å; S273-A275 PolarHBondContact OG-N 3.26Å; S273-M276 PolarHBondContact N-SD 2.99Å; S273-M276 VanDerWaalsContact N-SD 3.43Å; S273-M276 WeakPolarHBondContact O-CB 3.44Å; S273-M276 WeakPolarHBondContact O-CG 3.33Å; S273-M276 PolarHBondContact O-N 2.78Å; S273-D346 WeakPolarHBondContact CA-OD1 3.39Å; S273-D346 WeakPolarHBondContact CB-OD2 3.42Å; S273-D346 PolarHBondContact OG-OD1 3.39Å; S273-D346 PolarHBondContact OG-OD2 2.76Å |
| 274 | M | 74.4 | Confident | 80.3 | Confident | 65 Ų | 65 | 50.6 Ų | 50.6 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -57.1 | -32.3 | 174.8 | -175.5 | -176.2 | 174.9 | 0 | 0 | 111.5 | M276 L277 D346 W347 R348 | M274-M276 PolarHBondContact O-N 3.49Å; M274-L277 PolarHBondContact O-N 2.79Å; M274-D346 PolarHBondContact N-OD1 2.9Å; M274-W347 HydrophobicContact CG-CE3 4.49Å; M274-R348 VanDerWaalsContact CE-O 3.3Å; M274-R348 WeakPolarHBondContact CE-O 3.38Å; M274-R348 HydrophobicContact SD-CB 4.45Å; M274-R348 PolarHBondContact SD-N 3.4Å; M274-R348 VanDerWaalsContact SD-N 3.4Å |
| 275 | A | 79.8 | Confident | 80.7 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 66% | 0.661 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -62.6 | -12.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S273 L277 | S273-A275 PolarHBondContact O-N 2.79Å; S273-A275 PolarHBondContact OG-N 3.26Å; A275-L277 VanDerWaalsContact C-N 3.33Å |
| 276 | M | 80.8 | Confident | 80.9 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -76.2 | -19.3 | 173.6 | -61.4 | 173.1 | 173.5 | 0 | 0 | 112.8 | L251 V266 A267 F272 S273 M274 L278 F283 | L251-M276 HydrophobicContact CD2-CB 3.87Å; L251-M276 HydrophobicContact CD2-SD 4.3Å; V266-M276 HydrophobicContact CG1-CB 4.12Å; V266-M276 HydrophobicContact CG1-CG 4.42Å; A267-M276 HydrophobicContact CB-CE 4.47Å; A267-M276 HydrophobicContact CB-SD 4.1Å; F272-M276 HydrophobicContact CB-SD 4.01Å; S273-M276 PolarHBondContact N-SD 2.99Å; S273-M276 VanDerWaalsContact N-SD 3.43Å; S273-M276 WeakPolarHBondContact O-CB 3.44Å; S273-M276 WeakPolarHBondContact O-CG 3.33Å; S273-M276 PolarHBondContact O-N 2.78Å; M274-M276 PolarHBondContact O-N 3.49Å; M276-L278 PolarHBondContact O-N 2.77Å; M276-F283 WeakPolarHBondContact O-CE1 3.43Å; M276-F283 WeakPolarHBondContact O-CZ 2.96Å |
| 277 | L | 86.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -88.9 | 94.6 | 178.2 | -63.7 | 176.6 | 0 | 0 | 0 | 110.1 | L251 M274 A275 F283 W296 F340 F344 W347 | L251-L277 HydrophobicContact CD1-CD2 4.36Å; L251-L277 HydrophobicContact CD2-CD2 4.42Å; M274-L277 PolarHBondContact O-N 2.79Å; A275-L277 VanDerWaalsContact C-N 3.33Å; L277-F283 HydrophobicContact CD2-CB 3.83Å; L277-F283 HydrophobicContact CD2-CD1 4.2Å; L277-F283 HydrophobicContact CD2-CD2 3.75Å; L277-F283 HydrophobicContact CD2-CE2 4.4Å; L277-F283 HydrophobicContact CD2-CG 3.65Å; L277-W296 HydrophobicContact CB-CD2 4.42Å; L277-W296 HydrophobicContact CB-CE3 4.29Å; L277-W296 HydrophobicContact CB-CH2 3.88Å; L277-W296 HydrophobicContact CB-CZ2 4.04Å; L277-W296 HydrophobicContact CB-CZ3 4.02Å; L277-W296 HydrophobicContact CD1-CD2 4.15Å; L277-W296 HydrophobicContact CD1-CG 4.3Å; L277-W296 HydrophobicContact CD1-CZ2 4.32Å; L277-W296 HydrophobicContact CD2-CB 4.49Å; L277-W296 HydrophobicContact CD2-CD2 4.13Å; L277-W296 HydrophobicContact CD2-CE3 4.15Å; L277-W296 HydrophobicContact CD2-CG 4.33Å; L277-W296 HydrophobicContact CG-CD2 4.47Å; L277-F340 HydrophobicContact CD1-CE1 3.92Å; L277-F340 HydrophobicContact CD1-CZ 4.01Å; L277-F344 HydrophobicContact CD1-CE1 3.71Å; L277-F344 HydrophobicContact CD1-CE2 4.44Å; L277-F344 HydrophobicContact CD1-CZ 3.65Å; L277-F344 HydrophobicContact CD2-CE1 4.32Å; L277-F344 HydrophobicContact CD2-CZ 4.2Å; L277-F344 HydrophobicContact CG-CE1 3.83Å; L277-F344 HydrophobicContact CG-CZ 4.06Å; L277-W347 HydrophobicContact CD1-CH2 4.09Å; L277-W347 HydrophobicContact CD1-CZ3 3.79Å |
| 278 | L | 85.4 | Confident | 80.1 | Confident | 84 Ų | 84 | 42.9 Ų | 42.9 | 44% | 0.44 | 23% | 0.232 | S | C | . | . | trans | -77.6 | 130.5 | 177 | -58.3 | 177.6 | 0 | 0 | 0 | 110.7 | M276 E280 E281 F283 W296 | M276-L278 PolarHBondContact O-N 2.77Å; L278-E280 PolarHBondContact O-N 3.1Å; L278-E280 VanDerWaalsContact O-N 3.1Å; L278-E281 HydrophobicContact CB-CB 4.47Å; L278-E281 HydrophobicContact CB-CG 4.34Å; L278-E281 PolarHBondContact O-N 3.1Å; L278-E281 VanDerWaalsContact O-N 3.13Å; L278-F283 HydrophobicContact CB-CE2 4.23Å; L278-F283 HydrophobicContact CB-CZ 4.02Å; L278-F283 HydrophobicContact CG-CZ 4.22Å; L278-F283 VanDerWaalsContact N-CE2 3.25Å; L278-F283 VanDerWaalsContact N-CZ 3.34Å; L278-F283 WeakPolarHBondContact O-CE2 3.48Å; L278-W296 WeakPolarHBondContact O-CZ3 3.19Å | ||
| 279 | S | 86 | Confident | 79.5 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 16% | 0.161 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.3 | -178.5 | -72.5 | 0 | 0 | 0 | 0 | 114.1 | G298 K299 D300 A301 E333 | S279-G298 CarbonylContact O-C 3.49Å; S279-G298 WeakPolarHBondContact O-CA 3.36Å; S279-K299 PolarHBondContact O-N 2.87Å; S279-K299 PolarHBondContact OG-NZ 3.2Å; S279-D300 WeakPolarHBondContact CB-OD2 3.36Å; S279-D300 CarbonylContact O-C 3.54Å; S279-D300 WeakPolarHBondContact O-CA 3.44Å; S279-D300 WeakPolarHBondContact O-CB 3.39Å; S279-D300 PolarHBondContact O-N 2.86Å; S279-A301 PolarHBondContact O-N 2.96Å; S279-A301 VanDerWaalsContact O-N 3.09Å; S279-E333 WeakPolarHBondContact CA-OE2 3.34Å; S279-E333 WeakPolarHBondContact CB-OE2 3.48Å; S279-E333 PolarHBondContact OG-OE1 3.05Å; S279-E333 PolarHBondContact OG-OE2 3.22Å |
| 280 | E | 84.3 | Confident | 78.7 | Confident | 107 Ų | 107 | 36 Ų | 36 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.7 | -178.4 | -58.4 | 80 | -177.4 | 0 | 0 | 113.3 | L278 D300 A301 | L278-E280 PolarHBondContact O-N 3.1Å; L278-E280 VanDerWaalsContact O-N 3.1Å; E280-D300 HydrophobicContact CG-CB 4.35Å; E280-A301 VanDerWaalsContact O-CA 3.26Å; E280-A301 WeakPolarHBondContact O-CA 2.99Å |
| 281 | E | 85.2 | Confident | 79.1 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -129.6 | 165.7 | -172.4 | -58.4 | -71.5 | 159.8 | 0 | 0 | 111.6 | M253 S255 L278 F283 G298 | M253-E281 HydrophobicContact CG-CB 4.13Å; M253-E281 HydrophobicContact CG-CG 4.37Å; M253-E281 HydrophobicContact SD-CB 4.35Å; M253-E281 HydrophobicContact SD-CG 3.99Å; S255-E281 WeakPolarHBondContact CB-OE2 3.45Å; S255-E281 PolarHBondContact OG-OE2 3.22Å; L278-E281 HydrophobicContact CB-CB 4.47Å; L278-E281 HydrophobicContact CB-CG 4.34Å; L278-E281 PolarHBondContact O-N 3.1Å; L278-E281 VanDerWaalsContact O-N 3.13Å; E281-F283 HydrophobicContact CB-CE2 3.76Å; E281-F283 HydrophobicContact CB-CZ 4.01Å; E281-G298 WeakPolarHBondContact O-CA 3.34Å; E281-G298 PolarHBondContact O-N 3.45Å |
| 282 | C | 88.6 | Confident | 80.2 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150.3 | 168.5 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | V254 W296 | V254-C282 HydrophobicContact CB-CB 4.08Å; V254-C282 PolarHBondContact N-O 2.81Å; C282-W296 CarbonylContact C-O 3.52Å; C282-W296 VanDerWaalsContact CA-O 3.28Å; C282-W296 WeakPolarHBondContact CA-O 3.44Å |
| 283 | F | 92.9 | Very high | 81 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.9 | -178.6 | -64.5 | -97.3 | 0 | 0 | 0 | 111.6 | L251 Y252 M253 V266 M276 L277 L278 E281 V295 W296 | L251-F283 HydrophobicContact CD1-CB 4.13Å; L251-F283 HydrophobicContact CG-CD1 4.36Å; Y252-F283 CarbonylContact O-C 3.6Å; Y252-F283 WeakPolarHBondContact O-CA 3.38Å; Y252-F283 WeakPolarHBondContact O-CB 3.49Å; Y252-F283 WeakPolarHBondContact O-CD1 3.44Å; M253-F283 HydrophobicContact CB-CD1 4.04Å; M253-F283 HydrophobicContact CB-CE1 3.83Å; M253-F283 HydrophobicContact CG-CD1 4.39Å; M253-F283 HydrophobicContact CG-CE1 3.91Å; M253-F283 HydrophobicContact CG-CZ 4.17Å; M253-F283 HydrophobicContact SD-CE1 4.39Å; M253-F283 HydrophobicContact SD-CZ 4.44Å; V266-F283 HydrophobicContact CG2-CD1 4.22Å; V266-F283 HydrophobicContact CG2-CE1 4.02Å; M276-F283 WeakPolarHBondContact O-CE1 3.43Å; M276-F283 WeakPolarHBondContact O-CZ 2.96Å; L277-F283 HydrophobicContact CD2-CB 3.83Å; L277-F283 HydrophobicContact CD2-CD1 4.2Å; L277-F283 HydrophobicContact CD2-CD2 3.75Å; L277-F283 HydrophobicContact CD2-CE2 4.4Å; L277-F283 HydrophobicContact CD2-CG 3.65Å; L278-F283 HydrophobicContact CB-CE2 4.23Å; L278-F283 HydrophobicContact CB-CZ 4.02Å; L278-F283 HydrophobicContact CG-CZ 4.22Å; L278-F283 VanDerWaalsContact N-CE2 3.25Å; L278-F283 VanDerWaalsContact N-CZ 3.34Å; L278-F283 WeakPolarHBondContact O-CE2 3.48Å; E281-F283 HydrophobicContact CB-CE2 3.76Å; E281-F283 HydrophobicContact CB-CZ 4.01Å; F283-V295 CarbonylContact O-C 2.82Å; F283-V295 VanDerWaalsContact O-CA 3.25Å; F283-V295 WeakPolarHBondContact O-CA 3.45Å; F283-W296 HydrophobicContact CB-CB 4.46Å; F283-W296 AromaticContact CD2-CE3 3.71Å; F283-W296 HydrophobicContact CD2-CE3 3.71Å; F283-W296 AromaticContact CD2-CZ3 3.99Å; F283-W296 HydrophobicContact CD2-CZ3 3.99Å; F283-W296 HydrophobicContact CE2-CE3 4.33Å; F283-W296 HydrophobicContact CE2-CZ3 4.14Å; F283-W296 PolarHBondContact N-O 3.45Å; F283-W296 PolarHBondContact O-N 3.44Å |
| 284 | I | 93.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.7 | 169.1 | -62.9 | 173.8 | 0 | 0 | 0 | 108.5 | Y252 V254 F294 V295 T312 F316 | Y252-I284 PolarHBondContact N-O 2.95Å; Y252-I284 PolarHBondContact O-N 2.82Å; V254-I284 HydrophobicContact CG2-CD1 3.8Å; V254-I284 HydrophobicContact CG2-CG1 3.76Å; I284-F294 CarbonylContact C-O 3.53Å; I284-F294 VanDerWaalsContact CA-O 3.3Å; I284-F294 WeakPolarHBondContact CA-O 3.43Å; I284-V295 HydrophobicContact CG1-CG2 4.34Å; I284-T312 HydrophobicContact CD1-CG2 4.2Å; I284-F316 HydrophobicContact CD1-CB 3.86Å; I284-F316 HydrophobicContact CD1-CD1 4.47Å; I284-F316 HydrophobicContact CD1-CD2 3.91Å; I284-F316 HydrophobicContact CD1-CG 3.83Å; I284-F316 HydrophobicContact CG2-CD1 3.98Å; I284-F316 HydrophobicContact CG2-CE1 3.88Å; I284-F316 HydrophobicContact CG2-CE2 4.47Å; I284-F316 HydrophobicContact CG2-CG 4.32Å; I284-F316 HydrophobicContact CG2-CZ 4.14Å |
| 285 | L | 90.6 | Very high | 82.5 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 102.8 | 165.5 | -163.5 | 166 | 0 | 0 | 0 | 107.7 | A249 K250 L251 F272 H287 I293 F294 F340 F343 F344 | A249-L285 HydrophobicContact CB-CD2 3.95Å; K250-L285 CarbonylContact O-C 3.55Å; L251-L285 HydrophobicContact CD1-CB 4.26Å; F272-L285 HydrophobicContact CD2-CD1 4.25Å; F272-L285 HydrophobicContact CD2-CG 4.49Å; F272-L285 HydrophobicContact CE2-CD1 3.96Å; F272-L285 HydrophobicContact CE2-CD2 4.29Å; F272-L285 HydrophobicContact CE2-CG 3.79Å; L285-H287 HydrophobicContact CD2-CB 4.18Å; L285-H287 PolarHBondContact O-N 3.41Å; L285-I293 WeakPolarHBondContact O-CA 3.36Å; L285-F294 HydrophobicContact CB-CB 4.09Å; L285-F294 HydrophobicContact CB-CD2 4.18Å; L285-F294 HydrophobicContact CD1-CD2 4.49Å; L285-F294 HydrophobicContact CD2-CD2 4.05Å; L285-F294 HydrophobicContact CD2-CE2 4.5Å; L285-F294 HydrophobicContact CG-CD2 4.46Å; L285-F294 PolarHBondContact N-O 3.19Å; L285-F294 PolarHBondContact O-N 3.12Å; L285-F340 HydrophobicContact CB-CE2 4.06Å; L285-F340 HydrophobicContact CD1-CD2 3.9Å; L285-F340 HydrophobicContact CD1-CE2 3.77Å; L285-F343 HydrophobicContact CD1-CB 3.64Å; L285-F343 HydrophobicContact CD1-CD2 3.59Å; L285-F343 HydrophobicContact CD1-CE2 4.41Å; L285-F343 HydrophobicContact CD1-CG 3.68Å; L285-F343 HydrophobicContact CD2-CD1 4.19Å; L285-F343 HydrophobicContact CD2-CD2 4.06Å; L285-F343 HydrophobicContact CD2-CE1 4.32Å; L285-F343 HydrophobicContact CD2-CE2 4.19Å; L285-F343 HydrophobicContact CD2-CG 4.08Å; L285-F343 HydrophobicContact CD2-CZ 4.33Å; L285-F343 HydrophobicContact CG-CG 4.48Å; L285-F344 HydrophobicContact CD1-CE2 3.97Å; L285-F344 HydrophobicContact CD1-CZ 4.35Å |
| 286 | D | 90 | Very high | 83.1 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 107.6 | 179.3 | 177.7 | 14.6 | 0 | 0 | 0 | 109.9 | A249 K250 Y252 G288 F316 M320 Y322 | A249-D286 CarbonylContact C-O 3.38Å; A249-D286 WeakPolarHBondContact CA-O 3.43Å; K250-D286 HydrophobicContact CB-CB 4.29Å; K250-D286 PolarHBondContact N-O 2.79Å; K250-D286 PolarHBondContact O-N 2.83Å; Y252-D286 HydrophobicContact CD2-CB 3.99Å; Y252-D286 HydrophobicContact CE2-CB 3.61Å; D286-G288 PolarHBondContact OD1-N 3.32Å; D286-F316 HydrophobicContact CB-CE1 3.82Å; D286-F316 HydrophobicContact CB-CZ 3.78Å; D286-M320 VanDerWaalsContact OD2-CE 3.22Å; D286-M320 WeakPolarHBondContact OD2-CE 3.41Å; D286-Y322 WeakPolarHBondContact OD1-CE2 3.44Å; D286-Y322 PolarHBondContact OD1-OH 2.84Å; D286-Y322 PolarHBondContact OD2-OH 3.35Å |
| 287 | H | 79.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 31.5 | 166.7 | -172.2 | -154.7 | 0 | 0 | 0 | 109.4 | L285 A289 A290 Q292 F343 | L285-H287 HydrophobicContact CD2-CB 4.18Å; L285-H287 PolarHBondContact O-N 3.41Å; H287-A289 PolarHBondContact O-N 2.81Å; H287-A289 VanDerWaalsContact O-N 3.13Å; H287-A290 WeakPolarHBondContact CE1-CB 3.23Å; H287-A290 WeakPolarHBondContact NE2-CB 3.37Å; H287-A290 CarbonylContact O-C 3.57Å; H287-A290 WeakPolarHBondContact O-CA 2.99Å; H287-A290 PolarHBondContact O-N 3.26Å; H287-Q292 CarbonylContact C-O 3.59Å; H287-Q292 WeakPolarHBondContact CA-O 3.46Å; H287-Q292 VanDerWaalsContact CB-O 3.24Å; H287-Q292 WeakPolarHBondContact CB-O 3.31Å; H287-Q292 PolarHBondContact N-O 2.58Å; H287-Q292 PolarHBondContact O-N 3.4Å; H287-F343 HydrophobicContact CB-CZ 4.35Å; H287-F343 AromaticContact CE1-CZ 3.85Å; H287-F343 AromaticContact CG-CZ 3.96Å; H287-F343 AromaticContact ND1-CZ 3.45Å; H287-F343 WeakPolarHBondContact ND1-CZ 3.27Å |
| 288 | G | 68.3 | Low | 83.4 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -62.9 | -25.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D286 A290 K291 Q292 | D286-G288 PolarHBondContact OD1-N 3.32Å; G288-A290 PolarHBondContact O-N 3.46Å; G288-K291 WeakPolarHBondContact O-CA 3.08Å; G288-K291 PolarHBondContact O-N 3.47Å; G288-Q292 PolarHBondContact N-O 3.46Å |
| 289 | A | 66.3 | Low | 83.4 | Confident | 60 Ų | 60 | 27.2 Ų | 27.2 | 50% | 0.496 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -70 | -17.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M248 H287 | M248-A289 HydrophobicContact CE-CB 3.12Å; H287-A289 PolarHBondContact O-N 2.81Å; H287-A289 VanDerWaalsContact O-N 3.13Å |
| 290 | A | 57.7 | Low | 83.2 | Confident | 38 Ų | 38 | 30.7 Ų | 30.7 | 31% | 0.314 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -98.6 | 17.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113 | H287 G288 Q292 | H287-A290 WeakPolarHBondContact CE1-CB 3.23Å; H287-A290 WeakPolarHBondContact NE2-CB 3.37Å; H287-A290 CarbonylContact O-C 3.57Å; H287-A290 WeakPolarHBondContact O-CA 2.99Å; H287-A290 PolarHBondContact O-N 3.26Å; G288-A290 PolarHBondContact O-N 3.46Å; A290-Q292 VanDerWaalsContact C-N 3.3Å; A290-Q292 PolarHBondContact O-N 3.12Å |
| 291 | K | 69.8 | Low | 83.2 | Confident | 113 Ų | 113 | 25.7 Ų | 25.7 | 49% | 0.491 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 32.2 | 179.4 | -55.9 | -178.1 | -179.8 | 175 | 0 | 114.4 | G288 T326 Q327 | G288-K291 WeakPolarHBondContact O-CA 3.08Å; G288-K291 PolarHBondContact O-N 3.47Å; K291-T326 WeakPolarHBondContact O-CA 3.32Å; K291-Q327 PolarHBondContact O-N 3.13Å |
| 292 | Q | 78.2 | Confident | 83 | Confident | 37 Ų | 37 | 26.2 Ų | 26.2 | 17% | 0.173 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 139.5 | 172.3 | -172 | 172.9 | 35.4 | 0 | 0 | 111.4 | H287 G288 A290 F294 Q327 | H287-Q292 CarbonylContact C-O 3.59Å; H287-Q292 WeakPolarHBondContact CA-O 3.46Å; H287-Q292 VanDerWaalsContact CB-O 3.24Å; H287-Q292 WeakPolarHBondContact CB-O 3.31Å; H287-Q292 PolarHBondContact N-O 2.58Å; H287-Q292 PolarHBondContact O-N 3.4Å; G288-Q292 PolarHBondContact N-O 3.46Å; A290-Q292 VanDerWaalsContact C-N 3.3Å; A290-Q292 PolarHBondContact O-N 3.12Å; Q292-F294 HydrophobicContact CG-CE1 4.41Å; Q292-F294 HydrophobicContact CG-CE2 3.97Å; Q292-F294 HydrophobicContact CG-CZ 3.81Å; Q292-Q327 CarbonylContact C-O 3.43Å; Q292-Q327 WeakPolarHBondContact CA-O 3.34Å; Q292-Q327 HydrophobicContact CB-CB 4.47Å; Q292-Q327 HydrophobicContact CG-CB 4.26Å |
| 293 | I | 89.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.1 | 167.9 | 63 | 165.3 | 0 | 0 | 0 | 110 | L285 A313 F316 L317 T326 Q327 I328 Q329 | L285-I293 WeakPolarHBondContact O-CA 3.36Å; I293-A313 HydrophobicContact CD1-CB 3.93Å; I293-F316 HydrophobicContact CD1-CD1 4.23Å; I293-L317 HydrophobicContact CD1-CD1 4.5Å; I293-L317 HydrophobicContact CD1-CD2 3.6Å; I293-L317 HydrophobicContact CD1-CG 3.84Å; I293-L317 HydrophobicContact CG1-CD2 4.1Å; I293-L317 HydrophobicContact CG2-CD2 4.09Å; I293-T326 HydrophobicContact CG2-CG2 4.23Å; I293-Q327 PolarHBondContact N-O 2.85Å; I293-I328 HydrophobicContact CD1-CG1 4.16Å; I293-I328 HydrophobicContact CG1-CB 4.44Å; I293-I328 HydrophobicContact CG1-CG1 4Å; I293-I328 HydrophobicContact CG1-CG2 4.41Å; I293-Q329 PolarHBondContact O-N 2.9Å; I293-Q329 VanDerWaalsContact O-N 3.13Å |
| 294 | F | 86.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 143 | 175.4 | -50.5 | -98.2 | 0 | 0 | 0 | 110.3 | I284 L285 Q292 Q329 L331 I339 F340 F343 | I284-F294 CarbonylContact C-O 3.53Å; I284-F294 VanDerWaalsContact CA-O 3.3Å; I284-F294 WeakPolarHBondContact CA-O 3.43Å; L285-F294 HydrophobicContact CB-CB 4.09Å; L285-F294 HydrophobicContact CB-CD2 4.18Å; L285-F294 HydrophobicContact CD1-CD2 4.49Å; L285-F294 HydrophobicContact CD2-CD2 4.05Å; L285-F294 HydrophobicContact CD2-CE2 4.5Å; L285-F294 HydrophobicContact CG-CD2 4.46Å; L285-F294 PolarHBondContact N-O 3.19Å; L285-F294 PolarHBondContact O-N 3.12Å; Q292-F294 HydrophobicContact CG-CE1 4.41Å; Q292-F294 HydrophobicContact CG-CE2 3.97Å; Q292-F294 HydrophobicContact CG-CZ 3.81Å; F294-Q329 CarbonylContact C-O 3.53Å; F294-Q329 VanDerWaalsContact CA-O 3.26Å; F294-Q329 WeakPolarHBondContact CA-O 3.24Å; F294-Q329 HydrophobicContact CD1-CB 3.94Å; F294-Q329 HydrophobicContact CD1-CG 4.27Å; F294-Q329 HydrophobicContact CE1-CB 4.36Å; F294-L331 HydrophobicContact CD1-CD1 4.14Å; F294-I339 HydrophobicContact CE1-CG2 4.23Å; F294-I339 HydrophobicContact CZ-CG2 3.73Å; F294-F340 HydrophobicContact CB-CD2 3.65Å; F294-F340 HydrophobicContact CB-CE2 3.95Å; F294-F340 HydrophobicContact CD1-CB 4.28Å; F294-F340 HydrophobicContact CD1-CD2 4.08Å; F294-F340 HydrophobicContact CD2-CD2 4.32Å; F294-F340 HydrophobicContact CE1-CB 4.46Å; F294-F340 AromaticContact CG-CD2 3.77Å; F294-F340 HydrophobicContact CG-CD2 3.77Å; F294-F343 AromaticContact CE2-CE2 3.79Å; F294-F343 HydrophobicContact CE2-CE2 3.79Å; F294-F343 HydrophobicContact CE2-CZ 4.45Å; F294-F343 HydrophobicContact CZ-CE2 4.33Å |
| 295 | V | 93 | Very high | 81 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.8 | 165.9 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | F283 I284 A309 A313 Q329 V330 L331 | F283-V295 CarbonylContact O-C 2.82Å; F283-V295 VanDerWaalsContact O-CA 3.25Å; F283-V295 WeakPolarHBondContact O-CA 3.45Å; I284-V295 HydrophobicContact CG1-CG2 4.34Å; V295-A309 HydrophobicContact CG1-CB 4Å; V295-A313 HydrophobicContact CG2-CB 3.62Å; V295-Q329 PolarHBondContact N-O 2.87Å; V295-V330 HydrophobicContact CB-CB 4.41Å; V295-V330 HydrophobicContact CB-CG1 4.18Å; V295-V330 HydrophobicContact CB-CG2 4.06Å; V295-V330 HydrophobicContact CG2-CG2 4.16Å; V295-V330 CarbonylContact O-C 3.53Å; V295-V330 WeakPolarHBondContact O-CA 3.32Å; V295-L331 PolarHBondContact O-N 3.01Å |
| 296 | W | 91.9 | Very high | 80.5 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.6 | 175 | -174.8 | 93.6 | 0 | 0 | 0 | 109.4 | L277 L278 C282 F283 L331 E333 E336 F340 | L277-W296 HydrophobicContact CB-CD2 4.42Å; L277-W296 HydrophobicContact CB-CE3 4.29Å; L277-W296 HydrophobicContact CB-CH2 3.88Å; L277-W296 HydrophobicContact CB-CZ2 4.04Å; L277-W296 HydrophobicContact CB-CZ3 4.02Å; L277-W296 HydrophobicContact CD1-CD2 4.15Å; L277-W296 HydrophobicContact CD1-CG 4.3Å; L277-W296 HydrophobicContact CD1-CZ2 4.32Å; L277-W296 HydrophobicContact CD2-CB 4.49Å; L277-W296 HydrophobicContact CD2-CD2 4.13Å; L277-W296 HydrophobicContact CD2-CE3 4.15Å; L277-W296 HydrophobicContact CD2-CG 4.33Å; L277-W296 HydrophobicContact CG-CD2 4.47Å; L278-W296 WeakPolarHBondContact O-CZ3 3.19Å; C282-W296 CarbonylContact C-O 3.52Å; C282-W296 VanDerWaalsContact CA-O 3.28Å; C282-W296 WeakPolarHBondContact CA-O 3.44Å; F283-W296 HydrophobicContact CB-CB 4.46Å; F283-W296 AromaticContact CD2-CE3 3.71Å; F283-W296 HydrophobicContact CD2-CE3 3.71Å; F283-W296 AromaticContact CD2-CZ3 3.99Å; F283-W296 HydrophobicContact CD2-CZ3 3.99Å; F283-W296 HydrophobicContact CE2-CE3 4.33Å; F283-W296 HydrophobicContact CE2-CZ3 4.14Å; F283-W296 PolarHBondContact N-O 3.45Å; F283-W296 PolarHBondContact O-N 3.44Å; W296-L331 CarbonylContact C-O 3.5Å; W296-L331 WeakPolarHBondContact CA-O 3.4Å; W296-E333 HydrophobicContact CH2-CB 3.94Å; W296-E333 HydrophobicContact CH2-CG 4.03Å; W296-E333 HydrophobicContact CZ2-CB 3.49Å; W296-E333 VanDerWaalsContact CZ2-CB 3.49Å; W296-E333 HydrophobicContact CZ2-CG 3.55Å; W296-E336 PolarHBondContact NE1-OE1 3.06Å; W296-F340 HydrophobicContact CB-CE2 4.16Å; W296-F340 HydrophobicContact CB-CZ 3.71Å; W296-F340 AromaticContact CD1-CE1 3.57Å; W296-F340 AromaticContact CD1-CZ 3.61Å; W296-F340 HydrophobicContact CG-CE1 4.26Å; W296-F340 AromaticContact CG-CZ 3.86Å; W296-F340 HydrophobicContact CG-CZ 3.86Å |
| 297 | K | 89.8 | Confident | 80 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.9 | -178.5 | -59.6 | -175.2 | -61.5 | -177.1 | 0 | 109.5 | D86 R306 A309 V330 L331 E333 | D86-K297 IonicContact OD2-NZ 3.32Å; D86-K297 PolarHBondContact OD2-NZ 2.79Å; K297-R306 HydrophobicContact CB-CG 4.41Å; K297-R306 HydrophobicContact CD-CB 4.19Å; K297-A309 HydrophobicContact CD-CB 4.02Å; K297-A309 HydrophobicContact CG-CB 4.21Å; K297-V330 HydrophobicContact CD-CG1 3.7Å; K297-V330 HydrophobicContact CG-CG1 3.87Å; K297-L331 PolarHBondContact N-O 2.98Å; K297-E333 PolarHBondContact O-N 3.4Å |
| 298 | G | 84.5 | Confident | 80 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -58.2 | 142.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S279 E281 D300 A301 | S279-G298 CarbonylContact O-C 3.49Å; S279-G298 WeakPolarHBondContact O-CA 3.36Å; E281-G298 WeakPolarHBondContact O-CA 3.34Å; E281-G298 PolarHBondContact O-N 3.45Å; G298-D300 PolarHBondContact O-N 3.19Å; G298-A301 WeakPolarHBondContact O-CB 3.35Å; G298-A301 PolarHBondContact O-N 2.71Å | ||
| 299 | K | 83.9 | Confident | 80.6 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.8 | -176.8 | 72.5 | -178.5 | 178.5 | -69.7 | 0 | 112.4 | S279 R306 E333 | S279-K299 PolarHBondContact O-N 2.87Å; S279-K299 PolarHBondContact OG-NZ 3.2Å; K299-R306 PolarHBondContact O-NH1 3.13Å; K299-E333 HydrophobicContact CB-CB 4.14Å; K299-E333 HydrophobicContact CB-CG 4.4Å; K299-E333 WeakPolarHBondContact CD-OE1 3.5Å; K299-E333 WeakPolarHBondContact CG-OE2 3.38Å; K299-E333 PolarHBondContact N-OE2 3.14Å; K299-E333 IonicContact NZ-OE1 3.7Å; K299-E333 PolarHBondContact NZ-OE1 2.91Å; K299-E333 IonicContact NZ-OE2 3.47Å |
| 300 | D | 83 | Confident | 81.4 | Confident | 97 Ų | 97 | 43 Ų | 43 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 2.2 | -176.9 | -57.1 | -51.3 | 0 | 0 | 0 | 112.1 | S279 E280 G298 | S279-D300 WeakPolarHBondContact CB-OD2 3.36Å; S279-D300 CarbonylContact O-C 3.54Å; S279-D300 WeakPolarHBondContact O-CA 3.44Å; S279-D300 WeakPolarHBondContact O-CB 3.39Å; S279-D300 PolarHBondContact O-N 2.86Å; E280-D300 HydrophobicContact CG-CB 4.35Å; G298-D300 PolarHBondContact O-N 3.19Å |
| 301 | A | 83.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -64.7 | 154.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S279 E280 G298 R306 | S279-A301 PolarHBondContact O-N 2.96Å; S279-A301 VanDerWaalsContact O-N 3.09Å; E280-A301 VanDerWaalsContact O-CA 3.26Å; E280-A301 WeakPolarHBondContact O-CA 2.99Å; G298-A301 WeakPolarHBondContact O-CB 3.35Å; G298-A301 PolarHBondContact O-N 2.71Å; A301-R306 HydrophobicContact CB-CG 4.03Å; A301-R306 PolarHBondContact O-NE 3.44Å |
| 302 | N | 80.9 | Confident | 83.4 | Confident | 52 Ų | 52 | 42.4 Ų | 42.4 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | -54.4 | 129.3 | -176.5 | -179.7 | -14 | 0 | 0 | 0 | 110.5 | D256 Q304 E305 R306 | D256-N302 PolarHBondContact OD2-ND2 3.09Å; N302-Q304 PolarHBondContact O-N 3.14Å; N302-Q304 VanDerWaalsContact O-N 3.09Å; N302-Q304 PolarHBondContact OD1-N 3.44Å; N302-E305 HydrophobicContact CB-CB 4.16Å; N302-E305 HydrophobicContact CB-CG 3.88Å; N302-E305 WeakPolarHBondContact O-CB 3.2Å; N302-E305 PolarHBondContact O-N 2.87Å; N302-R306 PolarHBondContact O-N 2.77Å | ||
| 303 | P | 79.6 | Confident | 83.8 | Confident | 69 Ų | 69 | 40.7 Ų | 40.7 | 45% | 0.448 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -51.7 | -32.7 | 175.7 | -28.2 | 34.5 | 0 | 0 | 0 | 114.6 | K307 | P303-K307 VanDerWaalsContact O-CG 3.29Å; P303-K307 WeakPolarHBondContact O-CG 3.39Å; P303-K307 PolarHBondContact O-N 3.05Å |
| 304 | Q | 78.9 | Confident | 83.7 | Confident | 140 Ų | 140 | 43.7 Ų | 43.7 | 65% | 0.654 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -69.8 | -40.7 | 176.3 | -64.7 | -173.1 | -2.6 | 0 | 0 | 112 | N302 K307 A308 | N302-Q304 PolarHBondContact O-N 3.14Å; N302-Q304 VanDerWaalsContact O-N 3.09Å; N302-Q304 PolarHBondContact OD1-N 3.44Å; Q304-K307 PolarHBondContact O-N 3.44Å; Q304-A308 VanDerWaalsContact O-CB 3.29Å; Q304-A308 WeakPolarHBondContact O-CB 3.31Å; Q304-A308 PolarHBondContact O-N 3.02Å |
| 305 | E | 75.4 | Confident | 83.7 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.8 | -69.8 | 172.7 | 168.7 | 0 | 0 | 111.5 | D256 M261 N302 K307 A308 A309 | D256-E305 HydrophobicContact CB-CG 4.38Å; D256-E305 WeakPolarHBondContact CB-OE1 3.39Å; D256-E305 PolarHBondContact N-OE1 2.9Å; M261-E305 HydrophobicContact CE-CB 4.29Å; M261-E305 HydrophobicContact CE-CG 3.61Å; M261-E305 HydrophobicContact SD-CG 4.01Å; N302-E305 HydrophobicContact CB-CB 4.16Å; N302-E305 HydrophobicContact CB-CG 3.88Å; N302-E305 WeakPolarHBondContact O-CB 3.2Å; N302-E305 PolarHBondContact O-N 2.87Å; E305-K307 VanDerWaalsContact C-N 3.29Å; E305-K307 PolarHBondContact O-N 2.86Å; E305-A308 CarbonylContact O-C 3.59Å; E305-A308 PolarHBondContact O-N 2.77Å; E305-A309 PolarHBondContact O-N 3.26Å |
| 306 | R | 78.8 | Confident | 83.5 | Confident | 90 Ų | 90 | 47.9 Ų | 47.9 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.9 | -36.2 | 179.1 | -64.3 | -173.1 | -53.3 | -164.4 | 0.3 | 112.7 | K297 K299 A301 N302 A309 | K297-R306 HydrophobicContact CB-CG 4.41Å; K297-R306 HydrophobicContact CD-CB 4.19Å; K299-R306 PolarHBondContact O-NH1 3.13Å; A301-R306 HydrophobicContact CB-CG 4.03Å; A301-R306 PolarHBondContact O-NE 3.44Å; N302-R306 PolarHBondContact O-N 2.77Å; R306-A309 WeakPolarHBondContact O-CB 3.32Å |
| 307 | K | 79.6 | Confident | 83.4 | Confident | 110 Ų | 110 | 48 Ų | 48 | 48% | 0.478 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -74 | -30.4 | 174.3 | -70.9 | -179.2 | -166.4 | -131 | 0 | 112.6 | V83 D87 P303 Q304 E305 | V83-K307 HydrophobicContact CG1-CB 4.22Å; V83-K307 HydrophobicContact CG1-CG 4.19Å; D87-K307 WeakPolarHBondContact OD2-CE 3.18Å; D87-K307 IonicContact OD2-NZ 2.92Å; D87-K307 PolarHBondContact OD2-NZ 3.13Å; P303-K307 VanDerWaalsContact O-CG 3.29Å; P303-K307 WeakPolarHBondContact O-CG 3.39Å; P303-K307 PolarHBondContact O-N 3.05Å; Q304-K307 PolarHBondContact O-N 3.44Å; E305-K307 VanDerWaalsContact C-N 3.29Å; E305-K307 PolarHBondContact O-N 2.86Å |
| 308 | A | 81.1 | Confident | 83.2 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -82.2 | -11.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M261 Q304 E305 M310 K311 T312 | M261-A308 HydrophobicContact CE-CB 4.38Å; Q304-A308 VanDerWaalsContact O-CB 3.29Å; Q304-A308 WeakPolarHBondContact O-CB 3.31Å; Q304-A308 PolarHBondContact O-N 3.02Å; E305-A308 CarbonylContact O-C 3.59Å; E305-A308 PolarHBondContact O-N 2.77Å; A308-M310 VanDerWaalsContact C-N 3.34Å; A308-M310 PolarHBondContact O-N 3.17Å; A308-M310 VanDerWaalsContact O-N 3.11Å; A308-K311 WeakPolarHBondContact O-CA 3.4Å; A308-K311 WeakPolarHBondContact O-CB 2.99Å; A308-K311 PolarHBondContact O-N 2.86Å; A308-T312 PolarHBondContact O-N 3.25Å; A308-T312 PolarHBondContact O-OG1 2.79Å |
| 309 | A | 80.8 | Confident | 83.4 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -44.8 | -47.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V295 K297 E305 R306 A313 V330 | V295-A309 HydrophobicContact CG1-CB 4Å; K297-A309 HydrophobicContact CD-CB 4.02Å; K297-A309 HydrophobicContact CG-CB 4.21Å; E305-A309 PolarHBondContact O-N 3.26Å; R306-A309 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 3.09Å; A309-V330 HydrophobicContact CB-CG1 3.94Å |
| 310 | M | 82.6 | Confident | 83.4 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.054 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 178.7 | -170.7 | 66.9 | 64.4 | 0 | 0 | 111.9 | F64 Q95 R97 A308 A313 E314 I328 V330 | F64-M310 HydrophobicContact CE1-CE 3.67Å; F64-M310 HydrophobicContact CE1-CG 4.35Å; F64-M310 HydrophobicContact CE1-SD 3.97Å; F64-M310 HydrophobicContact CZ-CE 4.36Å; F64-M310 HydrophobicContact CZ-CG 4.22Å; F64-M310 HydrophobicContact CZ-SD 4.05Å; Q95-M310 HydrophobicContact CB-CE 4.11Å; R97-M310 HydrophobicContact CB-SD 4.23Å; A308-M310 VanDerWaalsContact C-N 3.34Å; A308-M310 PolarHBondContact O-N 3.17Å; A308-M310 VanDerWaalsContact O-N 3.11Å; M310-A313 WeakPolarHBondContact O-CB 3.45Å; M310-A313 PolarHBondContact O-N 2.8Å; M310-E314 PolarHBondContact O-N 2.8Å; M310-I328 HydrophobicContact SD-CB 4.36Å; M310-I328 HydrophobicContact SD-CG2 3.85Å; M310-V330 HydrophobicContact CE-CG2 3.62Å; M310-V330 HydrophobicContact SD-CG2 4.28Å |
| 311 | K | 84.9 | Confident | 83.6 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 177.8 | -175 | -174.9 | 178.6 | -157.3 | 0 | 110.9 | A308 A313 E314 E315 | A308-K311 WeakPolarHBondContact O-CA 3.4Å; A308-K311 WeakPolarHBondContact O-CB 2.99Å; A308-K311 PolarHBondContact O-N 2.86Å; K311-A313 VanDerWaalsContact C-N 3.29Å; K311-A313 PolarHBondContact O-N 3.26Å; K311-E314 PolarHBondContact O-N 2.96Å; K311-E315 WeakPolarHBondContact CE-OE1 3.17Å; K311-E315 IonicContact NZ-OE1 3.64Å; K311-E315 WeakPolarHBondContact O-CG 3.32Å; K311-E315 PolarHBondContact O-N 2.53Å |
| 312 | T | 85.3 | Confident | 83.5 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.043 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.1 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | V254 V263 I284 A308 F316 | V254-T312 HydrophobicContact CG1-CG2 3.85Å; V254-T312 HydrophobicContact CG2-CG2 4.08Å; V263-T312 HydrophobicContact CG2-CG2 4.41Å; I284-T312 HydrophobicContact CD1-CG2 4.2Å; A308-T312 PolarHBondContact O-N 3.25Å; A308-T312 PolarHBondContact O-OG1 2.79Å; T312-F316 VanDerWaalsContact O-CB 3.24Å; T312-F316 WeakPolarHBondContact O-CB 3.42Å; T312-F316 PolarHBondContact O-N 2.83Å |
| 313 | A | 86.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I293 V295 A309 M310 K311 F316 L317 I328 | I293-A313 HydrophobicContact CD1-CB 3.93Å; V295-A313 HydrophobicContact CG2-CB 3.62Å; A309-A313 PolarHBondContact O-N 3.09Å; M310-A313 WeakPolarHBondContact O-CB 3.45Å; M310-A313 PolarHBondContact O-N 2.8Å; K311-A313 VanDerWaalsContact C-N 3.29Å; K311-A313 PolarHBondContact O-N 3.26Å; A313-F316 WeakPolarHBondContact O-CB 3.49Å; A313-F316 PolarHBondContact O-N 2.92Å; A313-L317 WeakPolarHBondContact O-CG 3.1Å; A313-L317 PolarHBondContact O-N 2.8Å; A313-I328 HydrophobicContact CB-CD1 3.96Å; A313-I328 HydrophobicContact CB-CG2 3.55Å |
| 314 | E | 86.3 | Confident | 83.2 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177 | -70.4 | -174.9 | 151.9 | 0 | 0 | 112.3 | R97 M310 K311 F316 L317 Q318 I328 | R97-E314 IonicContact CZ-OE1 3.09Å; R97-E314 IonicContact NE-OE1 3.62Å; R97-E314 PolarHBondContact NE-OE1 2.95Å; R97-E314 VanDerWaalsContact NE-OE1 3.09Å; M310-E314 PolarHBondContact O-N 2.8Å; K311-E314 PolarHBondContact O-N 2.96Å; E314-F316 VanDerWaalsContact C-N 3.34Å; E314-L317 PolarHBondContact O-N 2.72Å; E314-Q318 WeakPolarHBondContact O-CG 3.3Å; E314-Q318 PolarHBondContact O-N 3.26Å; E314-I328 HydrophobicContact CG-CD1 3.84Å |
| 315 | E | 88.2 | Confident | 83 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 173 | -72.3 | 173.6 | 173.5 | 0 | 0 | 111.3 | K311 L317 Q318 Q319 | K311-E315 WeakPolarHBondContact CE-OE1 3.17Å; K311-E315 IonicContact NZ-OE1 3.64Å; K311-E315 WeakPolarHBondContact O-CG 3.32Å; K311-E315 PolarHBondContact O-N 2.53Å; E315-L317 PolarHBondContact O-N 2.78Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 PolarHBondContact O-N 3.38Å; E315-Q319 PolarHBondContact O-N 3.22Å |
| 316 | F | 88.6 | Confident | 83 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.1 | -178 | -94.8 | 0 | 0 | 0 | 112.1 | Y252 V263 I284 D286 I293 T312 A313 E314 Q318 Q319 M320 Y322 | Y252-F316 HydrophobicContact CD1-CE2 4.21Å; Y252-F316 AromaticContact CD2-CE2 3.94Å; Y252-F316 HydrophobicContact CD2-CE2 3.94Å; Y252-F316 AromaticContact CD2-CZ 3.76Å; Y252-F316 HydrophobicContact CD2-CZ 3.76Å; Y252-F316 HydrophobicContact CE1-CE2 4.21Å; Y252-F316 AromaticContact CE2-CE2 3.99Å; Y252-F316 HydrophobicContact CE2-CE2 3.99Å; Y252-F316 AromaticContact CE2-CZ 3.57Å; Y252-F316 HydrophobicContact CE2-CZ 3.57Å; Y252-F316 HydrophobicContact CG-CE2 4.08Å; Y252-F316 HydrophobicContact CG-CZ 4.37Å; V263-F316 HydrophobicContact CG1-CD2 3.97Å; V263-F316 HydrophobicContact CG1-CE2 3.97Å; I284-F316 HydrophobicContact CD1-CB 3.86Å; I284-F316 HydrophobicContact CD1-CD1 4.47Å; I284-F316 HydrophobicContact CD1-CD2 3.91Å; I284-F316 HydrophobicContact CD1-CG 3.83Å; I284-F316 HydrophobicContact CG2-CD1 3.98Å; I284-F316 HydrophobicContact CG2-CE1 3.88Å; I284-F316 HydrophobicContact CG2-CE2 4.47Å; I284-F316 HydrophobicContact CG2-CG 4.32Å; I284-F316 HydrophobicContact CG2-CZ 4.14Å; D286-F316 HydrophobicContact CB-CE1 3.82Å; D286-F316 HydrophobicContact CB-CZ 3.78Å; I293-F316 HydrophobicContact CD1-CD1 4.23Å; T312-F316 VanDerWaalsContact O-CB 3.24Å; T312-F316 WeakPolarHBondContact O-CB 3.42Å; T312-F316 PolarHBondContact O-N 2.83Å; A313-F316 WeakPolarHBondContact O-CB 3.49Å; A313-F316 PolarHBondContact O-N 2.92Å; E314-F316 VanDerWaalsContact C-N 3.34Å; F316-Q318 VanDerWaalsContact C-N 3.27Å; F316-Q318 PolarHBondContact O-N 3.22Å; F316-Q319 PolarHBondContact O-N 3.13Å; F316-M320 HydrophobicContact CD1-CG 4.08Å; F316-M320 HydrophobicContact CD2-CG 4.21Å; F316-M320 HydrophobicContact CE1-CG 3.7Å; F316-M320 HydrophobicContact CE2-CE 4.38Å; F316-M320 HydrophobicContact CE2-CG 3.86Å; F316-M320 HydrophobicContact CE2-SD 4.26Å; F316-M320 HydrophobicContact CG-CG 4.32Å; F316-M320 HydrophobicContact CZ-CE 3.82Å; F316-M320 HydrophobicContact CZ-CG 3.58Å; F316-M320 HydrophobicContact CZ-SD 4.17Å; F316-M320 WeakPolarHBondContact O-CB 3.41Å; F316-M320 VanDerWaalsContact O-CG 3.3Å; F316-M320 WeakPolarHBondContact O-CG 3.25Å; F316-M320 PolarHBondContact O-N 2.84Å; F316-Y322 HydrophobicContact CE1-CE2 4.42Å |
| 317 | L | 88.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 174.5 | -67.9 | -176.8 | 0 | 0 | 0 | 112.1 | I293 A313 E314 E315 N321 Y322 T326 I328 | I293-L317 HydrophobicContact CD1-CD1 4.5Å; I293-L317 HydrophobicContact CD1-CD2 3.6Å; I293-L317 HydrophobicContact CD1-CG 3.84Å; I293-L317 HydrophobicContact CG1-CD2 4.1Å; I293-L317 HydrophobicContact CG2-CD2 4.09Å; A313-L317 WeakPolarHBondContact O-CG 3.1Å; A313-L317 PolarHBondContact O-N 2.8Å; E314-L317 PolarHBondContact O-N 2.72Å; E315-L317 PolarHBondContact O-N 2.78Å; L317-N321 PolarHBondContact O-N 3.22Å; L317-N321 VanDerWaalsContact O-N 3.17Å; L317-Y322 HydrophobicContact CD2-CD2 3.99Å; L317-Y322 HydrophobicContact CD2-CG 4.4Å; L317-Y322 PolarHBondContact O-N 3.03Å; L317-T326 HydrophobicContact CD1-CG2 4.27Å; L317-T326 HydrophobicContact CD2-CG2 3.49Å; L317-T326 VanDerWaalsContact CD2-CG2 3.49Å; L317-I328 HydrophobicContact CD1-CD1 3.72Å; L317-I328 HydrophobicContact CD1-CG1 3.99Å; L317-I328 HydrophobicContact CG-CD1 4.5Å |
| 318 | Q | 87 | Confident | 83.2 | Confident | 153 Ų | 153 | 58.9 Ų | 58.9 | 72% | 0.715 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.3 | -45.4 | 176.6 | -65.5 | 176 | 26.6 | 0 | 0 | 111.4 | E314 E315 F316 M320 N321 | E314-Q318 WeakPolarHBondContact O-CG 3.3Å; E314-Q318 PolarHBondContact O-N 3.26Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 PolarHBondContact O-N 3.38Å; F316-Q318 VanDerWaalsContact C-N 3.27Å; F316-Q318 PolarHBondContact O-N 3.22Å; Q318-M320 VanDerWaalsContact C-N 3.32Å; Q318-M320 PolarHBondContact O-N 3.44Å; Q318-N321 PolarHBondContact O-N 3.17Å; Q318-N321 VanDerWaalsContact O-N 3.14Å |
| 319 | Q | 87.3 | Confident | 83.2 | Confident | 141 Ų | 141 | 58.3 Ų | 58.3 | 66% | 0.659 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61 | -41 | 179.3 | -177 | 179.5 | -6.1 | 0 | 0 | 112.1 | E315 F316 N321 | E315-Q319 PolarHBondContact O-N 3.22Å; F316-Q319 PolarHBondContact O-N 3.13Å; Q319-N321 VanDerWaalsContact C-N 3.25Å; Q319-N321 PolarHBondContact O-N 2.79Å |
| 320 | M | 84.5 | Confident | 83.5 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1 | -179.9 | -59.7 | -64.1 | -93.1 | 0 | 0 | 113.1 | Y252 D286 F316 Q318 Y322 | Y252-M320 HydrophobicContact CE2-CE 4.34Å; Y252-M320 WeakPolarHBondContact OH-CE 3.39Å; D286-M320 VanDerWaalsContact OD2-CE 3.22Å; D286-M320 WeakPolarHBondContact OD2-CE 3.41Å; F316-M320 HydrophobicContact CD1-CG 4.08Å; F316-M320 HydrophobicContact CD2-CG 4.21Å; F316-M320 HydrophobicContact CE1-CG 3.7Å; F316-M320 HydrophobicContact CE2-CE 4.38Å; F316-M320 HydrophobicContact CE2-CG 3.86Å; F316-M320 HydrophobicContact CE2-SD 4.26Å; F316-M320 HydrophobicContact CG-CG 4.32Å; F316-M320 HydrophobicContact CZ-CE 3.82Å; F316-M320 HydrophobicContact CZ-CG 3.58Å; F316-M320 HydrophobicContact CZ-SD 4.17Å; F316-M320 WeakPolarHBondContact O-CB 3.41Å; F316-M320 VanDerWaalsContact O-CG 3.3Å; F316-M320 WeakPolarHBondContact O-CG 3.25Å; F316-M320 PolarHBondContact O-N 2.84Å; Q318-M320 VanDerWaalsContact C-N 3.32Å; Q318-M320 PolarHBondContact O-N 3.44Å; M320-Y322 HydrophobicContact CB-CD2 3.43Å; M320-Y322 VanDerWaalsContact CB-CD2 3.43Å; M320-Y322 HydrophobicContact CB-CE2 3.35Å; M320-Y322 HydrophobicContact CB-CG 4.19Å; M320-Y322 HydrophobicContact CE-CE2 4.48Å; M320-Y322 HydrophobicContact CG-CD2 4.33Å; M320-Y322 HydrophobicContact CG-CE2 3.98Å; M320-Y322 PolarHBondContact O-N 3.4Å |
| 321 | N | 86.4 | Confident | 83.4 | Confident | 150 Ų | 150 | 57.6 Ų | 57.6 | 80% | 0.802 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 35.8 | -177.5 | -164.4 | 39.3 | 0 | 0 | 0 | 113.2 | L317 Q318 Q319 | L317-N321 PolarHBondContact O-N 3.22Å; L317-N321 VanDerWaalsContact O-N 3.17Å; Q318-N321 PolarHBondContact O-N 3.17Å; Q318-N321 VanDerWaalsContact O-N 3.14Å; Q319-N321 VanDerWaalsContact C-N 3.25Å; Q319-N321 PolarHBondContact O-N 2.79Å |
| 322 | Y | 83.5 | Confident | 83.2 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 26% | 0.255 | 25% | 0.253 | S | S | . | . | trans | -79.5 | 157 | 174.7 | -70.9 | -46 | 0 | 0 | 0 | 111.5 | D286 F316 L317 M320 | D286-Y322 WeakPolarHBondContact OD1-CE2 3.44Å; D286-Y322 PolarHBondContact OD1-OH 2.84Å; D286-Y322 PolarHBondContact OD2-OH 3.35Å; F316-Y322 HydrophobicContact CE1-CE2 4.42Å; L317-Y322 HydrophobicContact CD2-CD2 3.99Å; L317-Y322 HydrophobicContact CD2-CG 4.4Å; L317-Y322 PolarHBondContact O-N 3.03Å; M320-Y322 HydrophobicContact CB-CD2 3.43Å; M320-Y322 VanDerWaalsContact CB-CD2 3.43Å; M320-Y322 HydrophobicContact CB-CE2 3.35Å; M320-Y322 HydrophobicContact CB-CG 4.19Å; M320-Y322 HydrophobicContact CE-CE2 4.48Å; M320-Y322 HydrophobicContact CG-CD2 4.33Å; M320-Y322 HydrophobicContact CG-CE2 3.98Å; M320-Y322 PolarHBondContact O-N 3.4Å | ||
| 323 | S | 77.5 | Confident | 83 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | trans | -60.7 | 143 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | N325 T326 | S323-N325 WeakPolarHBondContact CB-OD1 3.45Å; S323-N325 PolarHBondContact O-N 3.38Å; S323-N325 VanDerWaalsContact O-N 3.07Å; S323-N325 VanDerWaalsContact OG-CG 3.24Å; S323-N325 PolarHBondContact OG-N 2.77Å; S323-N325 PolarHBondContact OG-OD1 2.9Å; S323-T326 VanDerWaalsContact O-CB 3.29Å; S323-T326 WeakPolarHBondContact O-CB 3.3Å; S323-T326 PolarHBondContact O-N 3.19Å; S323-T326 PolarHBondContact O-OG1 2.67Å | ||
| 324 | K | 75.7 | Confident | 82 | Confident | 184 Ų | 184 | 57.5 Ų | 57.5 | 80% | 0.8 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.6 | 175.6 | -63.9 | -174.3 | 179.1 | -175.1 | 0 | 113.4 | R97 L99 | R97-K324 PolarHBondContact NH1-O 3.39Å; L99-K324 VanDerWaalsContact CD1-O 3.25Å; L99-K324 WeakPolarHBondContact CD1-O 3.33Å |
| 325 | N | 73.9 | Confident | 80.7 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 3.9 | 176.4 | 71.5 | -0.8 | 0 | 0 | 0 | 115 | L99 Y102 S323 Q327 | L99-N325 HydrophobicContact CD1-CB 4.34Å; Y102-N325 HydrophobicContact CD1-CB 4.28Å; Y102-N325 HydrophobicContact CD2-CB 3.91Å; Y102-N325 HydrophobicContact CE1-CB 4.43Å; Y102-N325 VanDerWaalsContact CE1-ND2 3.33Å; Y102-N325 WeakPolarHBondContact CE1-ND2 3.31Å; Y102-N325 HydrophobicContact CE2-CB 4.04Å; Y102-N325 HydrophobicContact CG-CB 4.03Å; Y102-N325 VanDerWaalsContact CZ-ND2 3.26Å; Y102-N325 PolarHBondContact OH-ND2 2.93Å; S323-N325 WeakPolarHBondContact CB-OD1 3.45Å; S323-N325 PolarHBondContact O-N 3.38Å; S323-N325 VanDerWaalsContact O-N 3.07Å; S323-N325 VanDerWaalsContact OG-CG 3.24Å; S323-N325 PolarHBondContact OG-N 2.77Å; S323-N325 PolarHBondContact OG-OD1 2.9Å; N325-Q327 PolarHBondContact O-N 2.81Å |
| 326 | T | 76.6 | Confident | 80 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | trans | -61.6 | 129.9 | 171.9 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | K291 I293 L317 S323 | K291-T326 WeakPolarHBondContact O-CA 3.32Å; I293-T326 HydrophobicContact CG2-CG2 4.23Å; L317-T326 HydrophobicContact CD1-CG2 4.27Å; L317-T326 HydrophobicContact CD2-CG2 3.49Å; L317-T326 VanDerWaalsContact CD2-CG2 3.49Å; S323-T326 VanDerWaalsContact O-CB 3.29Å; S323-T326 WeakPolarHBondContact O-CB 3.3Å; S323-T326 PolarHBondContact O-N 3.19Å; S323-T326 PolarHBondContact O-OG1 2.67Å | ||
| 327 | Q | 75.5 | Confident | 78.1 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 141.4 | 179.2 | -69.1 | -177.7 | -11.4 | 0 | 0 | 110.9 | Y102 K291 Q292 I293 N325 | Y102-Q327 PolarHBondContact O-NE2 2.66Å; K291-Q327 PolarHBondContact O-N 3.13Å; Q292-Q327 CarbonylContact C-O 3.43Å; Q292-Q327 WeakPolarHBondContact CA-O 3.34Å; Q292-Q327 HydrophobicContact CB-CB 4.47Å; Q292-Q327 HydrophobicContact CG-CB 4.26Å; I293-Q327 PolarHBondContact N-O 2.85Å; N325-Q327 PolarHBondContact O-N 2.81Å |
| 328 | I | 87.3 | Confident | 76 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.6 | 176.6 | -52.3 | -179.9 | 0 | 0 | 0 | 108.5 | R97 I293 M310 A313 E314 L317 V330 | R97-I328 HydrophobicContact CB-CB 4.15Å; R97-I328 PolarHBondContact N-O 2.89Å; R97-I328 VanDerWaalsContact N-O 3.1Å; I293-I328 HydrophobicContact CD1-CG1 4.16Å; I293-I328 HydrophobicContact CG1-CB 4.44Å; I293-I328 HydrophobicContact CG1-CG1 4Å; I293-I328 HydrophobicContact CG1-CG2 4.41Å; M310-I328 HydrophobicContact SD-CB 4.36Å; M310-I328 HydrophobicContact SD-CG2 3.85Å; A313-I328 HydrophobicContact CB-CD1 3.96Å; A313-I328 HydrophobicContact CB-CG2 3.55Å; E314-I328 HydrophobicContact CG-CD1 3.84Å; L317-I328 HydrophobicContact CD1-CD1 3.72Å; L317-I328 HydrophobicContact CD1-CG1 3.99Å; L317-I328 HydrophobicContact CG-CD1 4.5Å; I328-V330 HydrophobicContact CG2-CG2 4.42Å |
| 329 | Q | 79.9 | Confident | 74.2 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.2 | 172.3 | 179.3 | 168.2 | 84.1 | 0 | 0 | 110.1 | V94 Q95 N96 I293 F294 V295 L331 T337 | V94-Q329 HydrophobicContact CG1-CG 4.12Å; Q95-Q329 WeakPolarHBondContact O-CA 3.38Å; N96-Q329 WeakPolarHBondContact OD1-CG 3Å; N96-Q329 PolarHBondContact OD1-NE2 3.2Å; I293-Q329 PolarHBondContact O-N 2.9Å; I293-Q329 VanDerWaalsContact O-N 3.13Å; F294-Q329 CarbonylContact C-O 3.53Å; F294-Q329 VanDerWaalsContact CA-O 3.26Å; F294-Q329 WeakPolarHBondContact CA-O 3.24Å; F294-Q329 HydrophobicContact CD1-CB 3.94Å; F294-Q329 HydrophobicContact CD1-CG 4.27Å; F294-Q329 HydrophobicContact CE1-CB 4.36Å; V295-Q329 PolarHBondContact N-O 2.87Å; Q329-L331 HydrophobicContact CG-CD2 3.76Å; Q329-L331 HydrophobicContact CG-CG 4.11Å; Q329-T337 PolarHBondContact OE1-OG1 2.89Å |
| 330 | V | 88.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.5 | 177 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | Q95 V295 K297 A309 M310 I328 | Q95-V330 HydrophobicContact CB-CB 4.13Å; Q95-V330 PolarHBondContact N-O 2.73Å; Q95-V330 PolarHBondContact O-N 2.99Å; V295-V330 HydrophobicContact CB-CB 4.41Å; V295-V330 HydrophobicContact CB-CG1 4.18Å; V295-V330 HydrophobicContact CB-CG2 4.06Å; V295-V330 HydrophobicContact CG2-CG2 4.16Å; V295-V330 CarbonylContact O-C 3.53Å; V295-V330 WeakPolarHBondContact O-CA 3.32Å; K297-V330 HydrophobicContact CD-CG1 3.7Å; K297-V330 HydrophobicContact CG-CG1 3.87Å; A309-V330 HydrophobicContact CB-CG1 3.94Å; M310-V330 HydrophobicContact CE-CG2 3.62Å; M310-V330 HydrophobicContact SD-CG2 4.28Å; I328-V330 HydrophobicContact CG2-CG2 4.42Å |
| 331 | L | 79.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.1 | -171.4 | -58.8 | 173.4 | 0 | 0 | 0 | 109.9 | V94 F294 V295 W296 K297 Q329 T337 F340 | V94-L331 HydrophobicContact CB-CD2 4.45Å; V94-L331 HydrophobicContact CG1-CD2 3.67Å; V94-L331 HydrophobicContact CG2-CD2 4.02Å; F294-L331 HydrophobicContact CD1-CD1 4.14Å; V295-L331 PolarHBondContact O-N 3.01Å; W296-L331 CarbonylContact C-O 3.5Å; W296-L331 WeakPolarHBondContact CA-O 3.4Å; K297-L331 PolarHBondContact N-O 2.98Å; Q329-L331 HydrophobicContact CG-CD2 3.76Å; Q329-L331 HydrophobicContact CG-CG 4.11Å; L331-T337 HydrophobicContact CD2-CG2 3.83Å; L331-F340 HydrophobicContact CD1-CB 3.45Å; L331-F340 VanDerWaalsContact CD1-CB 3.45Å; L331-F340 HydrophobicContact CD1-CD1 3.99Å; L331-F340 HydrophobicContact CD1-CD2 3.55Å; L331-F340 HydrophobicContact CD1-CE2 4.24Å; L331-F340 HydrophobicContact CD1-CG 3.38Å |
| 332 | P | 81.3 | Confident | 69.8 | Low | 15 Ų | 15 | 45.6 Ų | 45.6 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 151.4 | 166.8 | 31.3 | -30.6 | 0 | 0 | 0 | 111.2 | G91 G334 G335 | G91-P332 WeakPolarHBondContact O-CB 3.47Å; P332-G334 PolarHBondContact O-N 3.41Å; P332-G335 WeakPolarHBondContact O-CA 3.47Å; P332-G335 PolarHBondContact O-N 3.24Å |
| 333 | E | 81.1 | Confident | 68.7 | Low | 51 Ų | 51 | 43 Ų | 43 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 126.6 | 169.6 | 175.8 | 177.4 | 154.7 | 0 | 0 | 110.7 | S279 W296 K297 K299 G335 E336 | S279-E333 WeakPolarHBondContact CA-OE2 3.34Å; S279-E333 WeakPolarHBondContact CB-OE2 3.48Å; S279-E333 PolarHBondContact OG-OE1 3.05Å; S279-E333 PolarHBondContact OG-OE2 3.22Å; W296-E333 HydrophobicContact CH2-CB 3.94Å; W296-E333 HydrophobicContact CH2-CG 4.03Å; W296-E333 HydrophobicContact CZ2-CB 3.49Å; W296-E333 VanDerWaalsContact CZ2-CB 3.49Å; W296-E333 HydrophobicContact CZ2-CG 3.55Å; K297-E333 PolarHBondContact O-N 3.4Å; K299-E333 HydrophobicContact CB-CB 4.14Å; K299-E333 HydrophobicContact CB-CG 4.4Å; K299-E333 WeakPolarHBondContact CD-OE1 3.5Å; K299-E333 WeakPolarHBondContact CG-OE2 3.38Å; K299-E333 PolarHBondContact N-OE2 3.14Å; K299-E333 IonicContact NZ-OE1 3.7Å; K299-E333 PolarHBondContact NZ-OE1 2.91Å; K299-E333 IonicContact NZ-OE2 3.47Å; E333-G335 VanDerWaalsContact C-N 3.29Å; E333-E336 WeakPolarHBondContact CA-OE1 3.44Å |
| 334 | G | 64.3 | Low | 68 | Low | 70 Ų | 70 | 40.9 Ų | 40.9 | 72% | 0.722 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -2.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P332 E336 | P332-G334 PolarHBondContact O-N 3.41Å; G334-E336 WeakPolarHBondContact CA-OE2 3.23Å; G334-E336 PolarHBondContact N-OE1 3.15Å; G334-E336 PolarHBondContact N-OE2 3.1Å; G334-E336 VanDerWaalsContact N-OE2 3.09Å |
| 335 | G | 60.6 | Low | 66.9 | Low | 26 Ų | 26 | 38.9 Ų | 38.9 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | trans | -109.2 | 18.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V94 P332 E333 | V94-G335 WeakPolarHBondContact CG2-O 3.2Å; P332-G335 WeakPolarHBondContact O-CA 3.47Å; P332-G335 PolarHBondContact O-N 3.24Å; E333-G335 VanDerWaalsContact C-N 3.29Å | ||
| 336 | E | 72.4 | Confident | 65.9 | Low | 20 Ų | 20 | 40.2 Ų | 40.2 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | trans | -73.4 | 141.4 | -171 | -52.2 | 90.6 | 165.5 | 0 | 0 | 112.8 | W296 E333 G334 F340 K341 W347 | W296-E336 PolarHBondContact NE1-OE1 3.06Å; E333-E336 WeakPolarHBondContact CA-OE1 3.44Å; G334-E336 WeakPolarHBondContact CA-OE2 3.23Å; G334-E336 PolarHBondContact N-OE1 3.15Å; G334-E336 PolarHBondContact N-OE2 3.1Å; G334-E336 VanDerWaalsContact N-OE2 3.09Å; E336-F340 HydrophobicContact CB-CD1 3.79Å; E336-F340 HydrophobicContact CB-CE1 4.36Å; E336-F340 HydrophobicContact CG-CD1 3.93Å; E336-F340 HydrophobicContact CG-CE1 3.99Å; E336-K341 HydrophobicContact CB-CG 4.23Å; E336-K341 VanDerWaalsContact O-CE 3.27Å; E336-K341 WeakPolarHBondContact O-CE 3.4Å; E336-W347 HydrophobicContact CB-CH2 3.88Å; E336-W347 HydrophobicContact CB-CZ2 3.77Å; E336-W347 VanDerWaalsContact CD-CZ2 3.46Å; E336-W347 HydrophobicContact CG-CH2 3.51Å; E336-W347 HydrophobicContact CG-CZ2 3.69Å | ||
| 337 | T | 48 | Very low | 64.8 | Low | 15 Ų | 15 | 41.9 Ų | 41.9 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | trans | -86.5 | 153 | -178.8 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | Q329 L331 I339 F340 K341 | Q329-T337 PolarHBondContact OE1-OG1 2.89Å; L331-T337 HydrophobicContact CD2-CG2 3.83Å; T337-I339 PolarHBondContact O-N 2.96Å; T337-I339 VanDerWaalsContact O-N 3.1Å; T337-F340 WeakPolarHBondContact O-CB 3.26Å; T337-F340 PolarHBondContact O-N 3.11Å; T337-F340 PolarHBondContact OG1-N 3.44Å; T337-K341 WeakPolarHBondContact O-CG 3.38Å; T337-K341 PolarHBondContact O-N 3.09Å | ||
| 338 | P | 45.2 | Very low | 63.6 | Low | 110 Ų | 110 | 46.3 Ų | 46.3 | 71% | 0.714 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -53.2 | -32.9 | 175.5 | -28.1 | 35.7 | 0 | 0 | 0 | 114.1 | F340 K341 Q342 | P338-F340 VanDerWaalsContact C-N 3.34Å; P338-K341 PolarHBondContact O-N 3.02Å; P338-Q342 PolarHBondContact O-N 2.77Å; P338-Q342 VanDerWaalsContact O-N 3.12Å |
| 339 | I | 48 | Very low | 61.8 | Low | 75 Ų | 75 | 49.1 Ų | 49.1 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.6 | -33.5 | 177.1 | -59.8 | 176.1 | 0 | 0 | 0 | 111.5 | F294 T337 Q342 F343 | F294-I339 HydrophobicContact CE1-CG2 4.23Å; F294-I339 HydrophobicContact CZ-CG2 3.73Å; T337-I339 PolarHBondContact O-N 2.96Å; T337-I339 VanDerWaalsContact O-N 3.1Å; I339-Q342 VanDerWaalsContact O-CG 3.22Å; I339-Q342 WeakPolarHBondContact O-CG 2.97Å; I339-Q342 PolarHBondContact O-NE2 2.9Å; I339-F343 WeakPolarHBondContact O-CD2 3.07Å; I339-F343 WeakPolarHBondContact O-CE2 3.46Å |
| 340 | F | 57.9 | Low | 59.9 | Low | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.8 | -44.4 | 172.4 | 178 | -96.6 | 0 | 0 | 0 | 111.5 | L277 L285 F294 W296 L331 E336 T337 P338 Q342 F343 F344 W347 | L277-F340 HydrophobicContact CD1-CE1 3.92Å; L277-F340 HydrophobicContact CD1-CZ 4.01Å; L285-F340 HydrophobicContact CB-CE2 4.06Å; L285-F340 HydrophobicContact CD1-CD2 3.9Å; L285-F340 HydrophobicContact CD1-CE2 3.77Å; F294-F340 HydrophobicContact CB-CD2 3.65Å; F294-F340 HydrophobicContact CB-CE2 3.95Å; F294-F340 HydrophobicContact CD1-CB 4.28Å; F294-F340 HydrophobicContact CD1-CD2 4.08Å; F294-F340 HydrophobicContact CD2-CD2 4.32Å; F294-F340 HydrophobicContact CE1-CB 4.46Å; F294-F340 AromaticContact CG-CD2 3.77Å; F294-F340 HydrophobicContact CG-CD2 3.77Å; W296-F340 HydrophobicContact CB-CE2 4.16Å; W296-F340 HydrophobicContact CB-CZ 3.71Å; W296-F340 AromaticContact CD1-CE1 3.57Å; W296-F340 AromaticContact CD1-CZ 3.61Å; W296-F340 HydrophobicContact CG-CE1 4.26Å; W296-F340 AromaticContact CG-CZ 3.86Å; W296-F340 HydrophobicContact CG-CZ 3.86Å; L331-F340 HydrophobicContact CD1-CB 3.45Å; L331-F340 VanDerWaalsContact CD1-CB 3.45Å; L331-F340 HydrophobicContact CD1-CD1 3.99Å; L331-F340 HydrophobicContact CD1-CD2 3.55Å; L331-F340 HydrophobicContact CD1-CE2 4.24Å; L331-F340 HydrophobicContact CD1-CG 3.38Å; E336-F340 HydrophobicContact CB-CD1 3.79Å; E336-F340 HydrophobicContact CB-CE1 4.36Å; E336-F340 HydrophobicContact CG-CD1 3.93Å; E336-F340 HydrophobicContact CG-CE1 3.99Å; T337-F340 WeakPolarHBondContact O-CB 3.26Å; T337-F340 PolarHBondContact O-N 3.11Å; T337-F340 PolarHBondContact OG1-N 3.44Å; P338-F340 VanDerWaalsContact C-N 3.34Å; F340-Q342 PolarHBondContact O-N 3.02Å; F340-F343 WeakPolarHBondContact O-CD2 3.1Å; F340-F343 PolarHBondContact O-N 3.07Å; F340-F344 AromaticContact CD1-CE2 3.97Å; F340-F344 HydrophobicContact CD1-CE2 3.97Å; F340-F344 HydrophobicContact CE1-CD2 4.44Å; F340-F344 AromaticContact CE1-CE2 3.55Å; F340-F344 HydrophobicContact CE1-CE2 3.55Å; F340-F344 AromaticContact CE1-CZ 3.94Å; F340-F344 HydrophobicContact CE1-CZ 3.94Å; F340-F344 HydrophobicContact CE2-CE2 4.18Å; F340-F344 HydrophobicContact CE2-CZ 4.44Å; F340-F344 HydrophobicContact CG-CE2 4.48Å; F340-F344 AromaticContact CZ-CE2 3.66Å; F340-F344 HydrophobicContact CZ-CE2 3.66Å; F340-F344 AromaticContact CZ-CZ 3.75Å; F340-F344 HydrophobicContact CZ-CZ 3.75Å; F340-F344 WeakPolarHBondContact O-CD2 3.49Å; F340-W347 AromaticContact CD1-CH2 3.97Å; F340-W347 HydrophobicContact CD1-CH2 3.97Å; F340-W347 AromaticContact CD1-CZ3 3.91Å; F340-W347 HydrophobicContact CD1-CZ3 3.91Å; F340-W347 AromaticContact CE1-CH2 3.69Å; F340-W347 HydrophobicContact CE1-CH2 3.69Å; F340-W347 AromaticContact CE1-CZ3 3.58Å; F340-W347 HydrophobicContact CE1-CZ3 3.58Å |
| 341 | K | 57.8 | Low | 57.5 | Low | 45 Ų | 45 | 62.5 Ų | 62.5 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -31.3 | -177.8 | -62.4 | -176.2 | -180 | -165.2 | 0 | 113 | E336 T337 P338 F343 F344 W347 D349 | E336-K341 HydrophobicContact CB-CG 4.23Å; E336-K341 VanDerWaalsContact O-CE 3.27Å; E336-K341 WeakPolarHBondContact O-CE 3.4Å; T337-K341 WeakPolarHBondContact O-CG 3.38Å; T337-K341 PolarHBondContact O-N 3.09Å; P338-K341 PolarHBondContact O-N 3.02Å; K341-F343 PolarHBondContact O-N 3.19Å; K341-F343 VanDerWaalsContact O-N 3.09Å; K341-F344 PolarHBondContact O-N 2.82Å; K341-W347 HydrophobicContact CB-CD2 3.94Å; K341-W347 HydrophobicContact CB-CE3 4.3Å; K341-W347 HydrophobicContact CB-CG 4.06Å; K341-W347 HydrophobicContact CD-CD2 4.15Å; K341-W347 HydrophobicContact CD-CG 4.21Å; K341-W347 HydrophobicContact CD-CZ2 4.26Å; K341-W347 HydrophobicContact CG-CD2 3.66Å; K341-W347 VanDerWaalsContact CG-CE2 3.49Å; K341-W347 HydrophobicContact CG-CE3 4.16Å; K341-W347 HydrophobicContact CG-CG 4.07Å; K341-W347 HydrophobicContact CG-CH2 4.4Å; K341-W347 HydrophobicContact CG-CZ2 3.89Å; K341-D349 VanDerWaalsContact NZ-CG 3.31Å; K341-D349 IonicContact NZ-OD1 3.09Å; K341-D349 PolarHBondContact NZ-OD1 2.76Å; K341-D349 IonicContact NZ-OD2 3.11Å; K341-D349 PolarHBondContact NZ-OD2 2.8Å |
| 342 | Q | 51.2 | Low | 55 | Low | 122 Ų | 122 | 68.3 Ų | 68.3 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.4 | -178.7 | 84.8 | -171.6 | -44.9 | 0 | 0 | 114.4 | P338 I339 F340 F344 | P338-Q342 PolarHBondContact O-N 2.77Å; P338-Q342 VanDerWaalsContact O-N 3.12Å; I339-Q342 VanDerWaalsContact O-CG 3.22Å; I339-Q342 WeakPolarHBondContact O-CG 2.97Å; I339-Q342 PolarHBondContact O-NE2 2.9Å; F340-Q342 PolarHBondContact O-N 3.02Å; Q342-F344 PolarHBondContact O-N 2.76Å |
| 343 | F | 59.2 | Low | 52.3 | Low | 11 Ų | 11 | 72.8 Ų | 72.8 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.4 | 179.7 | -67.4 | -79.7 | 0 | 0 | 0 | 112.9 | A249 N270 P271 F272 L285 H287 F294 I339 F340 K341 | A249-F343 HydrophobicContact CB-CD1 3.74Å; A249-F343 HydrophobicContact CB-CE1 3.76Å; N270-F343 HydrophobicContact CB-CD1 4.48Å; P271-F343 CarbonylContact C-O 3.54Å; P271-F343 VanDerWaalsContact CA-O 3.28Å; P271-F343 WeakPolarHBondContact CA-O 3.46Å; F272-F343 HydrophobicContact CD2-CB 3.97Å; F272-F343 HydrophobicContact CE2-CB 4.09Å; F272-F343 PolarHBondContact N-O 2.89Å; L285-F343 HydrophobicContact CD1-CB 3.64Å; L285-F343 HydrophobicContact CD1-CD2 3.59Å; L285-F343 HydrophobicContact CD1-CE2 4.41Å; L285-F343 HydrophobicContact CD1-CG 3.68Å; L285-F343 HydrophobicContact CD2-CD1 4.19Å; L285-F343 HydrophobicContact CD2-CD2 4.06Å; L285-F343 HydrophobicContact CD2-CE1 4.32Å; L285-F343 HydrophobicContact CD2-CE2 4.19Å; L285-F343 HydrophobicContact CD2-CG 4.08Å; L285-F343 HydrophobicContact CD2-CZ 4.33Å; L285-F343 HydrophobicContact CG-CG 4.48Å; H287-F343 HydrophobicContact CB-CZ 4.35Å; H287-F343 AromaticContact CE1-CZ 3.85Å; H287-F343 AromaticContact CG-CZ 3.96Å; H287-F343 AromaticContact ND1-CZ 3.45Å; H287-F343 WeakPolarHBondContact ND1-CZ 3.27Å; F294-F343 AromaticContact CE2-CE2 3.79Å; F294-F343 HydrophobicContact CE2-CE2 3.79Å; F294-F343 HydrophobicContact CE2-CZ 4.45Å; F294-F343 HydrophobicContact CZ-CE2 4.33Å; I339-F343 WeakPolarHBondContact O-CD2 3.07Å; I339-F343 WeakPolarHBondContact O-CE2 3.46Å; F340-F343 WeakPolarHBondContact O-CD2 3.1Å; F340-F343 PolarHBondContact O-N 3.07Å; K341-F343 PolarHBondContact O-N 3.19Å; K341-F343 VanDerWaalsContact O-N 3.09Å |
| 344 | F | 64.3 | Low | 49.8 | Very low | 13 Ų | 13 | 75.9 Ų | 75.9 | 6% | 0.057 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 134.4 | -175.9 | -61.3 | -98.3 | 0 | 0 | 0 | 110.9 | L251 F272 L277 L285 F340 K341 Q342 W347 | L251-F344 HydrophobicContact CD2-CE1 4.44Å; F272-F344 HydrophobicContact CB-CD1 3.6Å; F272-F344 HydrophobicContact CB-CE1 3.67Å; F272-F344 HydrophobicContact CB-CG 4.28Å; F272-F344 HydrophobicContact CB-CZ 4.4Å; F272-F344 HydrophobicContact CD2-CE1 4.28Å; F272-F344 HydrophobicContact CD2-CE2 4.49Å; F272-F344 HydrophobicContact CD2-CZ 4.19Å; F272-F344 HydrophobicContact CG-CE1 4.41Å; F272-F344 CarbonylContact O-C 3.57Å; F272-F344 WeakPolarHBondContact O-CA 3.26Å; L277-F344 HydrophobicContact CD1-CE1 3.71Å; L277-F344 HydrophobicContact CD1-CE2 4.44Å; L277-F344 HydrophobicContact CD1-CZ 3.65Å; L277-F344 HydrophobicContact CD2-CE1 4.32Å; L277-F344 HydrophobicContact CD2-CZ 4.2Å; L277-F344 HydrophobicContact CG-CE1 3.83Å; L277-F344 HydrophobicContact CG-CZ 4.06Å; L285-F344 HydrophobicContact CD1-CE2 3.97Å; L285-F344 HydrophobicContact CD1-CZ 4.35Å; F340-F344 AromaticContact CD1-CE2 3.97Å; F340-F344 HydrophobicContact CD1-CE2 3.97Å; F340-F344 HydrophobicContact CE1-CD2 4.44Å; F340-F344 AromaticContact CE1-CE2 3.55Å; F340-F344 HydrophobicContact CE1-CE2 3.55Å; F340-F344 AromaticContact CE1-CZ 3.94Å; F340-F344 HydrophobicContact CE1-CZ 3.94Å; F340-F344 HydrophobicContact CE2-CE2 4.18Å; F340-F344 HydrophobicContact CE2-CZ 4.44Å; F340-F344 HydrophobicContact CG-CE2 4.48Å; F340-F344 AromaticContact CZ-CE2 3.66Å; F340-F344 HydrophobicContact CZ-CE2 3.66Å; F340-F344 AromaticContact CZ-CZ 3.75Å; F340-F344 HydrophobicContact CZ-CZ 3.75Å; F340-F344 WeakPolarHBondContact O-CD2 3.49Å; K341-F344 PolarHBondContact O-N 2.82Å; Q342-F344 PolarHBondContact O-N 2.76Å; F344-W347 HydrophobicContact CB-CB 4.23Å; F344-W347 HydrophobicContact CB-CE3 3.82Å; F344-W347 HydrophobicContact CD1-CE3 4.3Å; F344-W347 HydrophobicContact CD1-CZ3 4.4Å; F344-W347 AromaticContact CD2-CE3 3.62Å; F344-W347 HydrophobicContact CD2-CE3 3.62Å; F344-W347 AromaticContact CD2-CZ3 3.74Å; F344-W347 HydrophobicContact CD2-CZ3 3.74Å; F344-W347 HydrophobicContact CE2-CE3 4.29Å; F344-W347 AromaticContact CE2-CZ3 3.93Å; F344-W347 HydrophobicContact CE2-CZ3 3.93Å; F344-W347 AromaticContact CG-CE3 3.65Å; F344-W347 HydrophobicContact CG-CE3 3.65Å; F344-W347 HydrophobicContact CG-CZ3 4.02Å; F344-W347 HydrophobicContact CZ-CZ3 4.34Å |
| 345 | K | 52.8 | Low | 48 | Very low | 143 Ų | 143 | 75 Ų | 75 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -79.4 | -23.4 | -174.9 | 66.7 | -165.7 | 174.9 | -177.7 | 0 | 114.4 | P271 F272 | P271-K345 HydrophobicContact CB-CB 3.95Å; P271-K345 HydrophobicContact CG-CB 4.06Å; F272-K345 WeakPolarHBondContact O-CG 3.44Å; F272-K345 PolarHBondContact O-N 2.79Å |
| 346 | D | 52.6 | Low | 46.4 | Very low | 54 Ų | 54 | 83.7 Ų | 83.7 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -133.6 | 30.5 | -168.5 | 58.4 | -6.3 | 0 | 0 | 0 | 110.7 | S273 M274 R348 | S273-D346 WeakPolarHBondContact CA-OD1 3.39Å; S273-D346 WeakPolarHBondContact CB-OD2 3.42Å; S273-D346 PolarHBondContact OG-OD1 3.39Å; S273-D346 PolarHBondContact OG-OD2 2.76Å; M274-D346 PolarHBondContact N-OD1 2.9Å; D346-R348 PolarHBondContact O-N 2.62Å |
| 347 | W | 53.7 | Low | 44.2 | Very low | 36 Ų | 36 | 86 Ų | 86 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | trans | -59.6 | 120.2 | 177.5 | -167.9 | -76.1 | 0 | 0 | 0 | 110.4 | M274 L277 E336 F340 K341 F344 D349 | M274-W347 HydrophobicContact CG-CE3 4.49Å; L277-W347 HydrophobicContact CD1-CH2 4.09Å; L277-W347 HydrophobicContact CD1-CZ3 3.79Å; E336-W347 HydrophobicContact CB-CH2 3.88Å; E336-W347 HydrophobicContact CB-CZ2 3.77Å; E336-W347 VanDerWaalsContact CD-CZ2 3.46Å; E336-W347 HydrophobicContact CG-CH2 3.51Å; E336-W347 HydrophobicContact CG-CZ2 3.69Å; F340-W347 AromaticContact CD1-CH2 3.97Å; F340-W347 HydrophobicContact CD1-CH2 3.97Å; F340-W347 AromaticContact CD1-CZ3 3.91Å; F340-W347 HydrophobicContact CD1-CZ3 3.91Å; F340-W347 AromaticContact CE1-CH2 3.69Å; F340-W347 HydrophobicContact CE1-CH2 3.69Å; F340-W347 AromaticContact CE1-CZ3 3.58Å; F340-W347 HydrophobicContact CE1-CZ3 3.58Å; K341-W347 HydrophobicContact CB-CD2 3.94Å; K341-W347 HydrophobicContact CB-CE3 4.3Å; K341-W347 HydrophobicContact CB-CG 4.06Å; K341-W347 HydrophobicContact CD-CD2 4.15Å; K341-W347 HydrophobicContact CD-CG 4.21Å; K341-W347 HydrophobicContact CD-CZ2 4.26Å; K341-W347 HydrophobicContact CG-CD2 3.66Å; K341-W347 VanDerWaalsContact CG-CE2 3.49Å; K341-W347 HydrophobicContact CG-CE3 4.16Å; K341-W347 HydrophobicContact CG-CG 4.07Å; K341-W347 HydrophobicContact CG-CH2 4.4Å; K341-W347 HydrophobicContact CG-CZ2 3.89Å; F344-W347 HydrophobicContact CB-CB 4.23Å; F344-W347 HydrophobicContact CB-CE3 3.82Å; F344-W347 HydrophobicContact CD1-CE3 4.3Å; F344-W347 HydrophobicContact CD1-CZ3 4.4Å; F344-W347 AromaticContact CD2-CE3 3.62Å; F344-W347 HydrophobicContact CD2-CE3 3.62Å; F344-W347 AromaticContact CD2-CZ3 3.74Å; F344-W347 HydrophobicContact CD2-CZ3 3.74Å; F344-W347 HydrophobicContact CE2-CE3 4.29Å; F344-W347 AromaticContact CE2-CZ3 3.93Å; F344-W347 HydrophobicContact CE2-CZ3 3.93Å; F344-W347 AromaticContact CG-CE3 3.65Å; F344-W347 HydrophobicContact CG-CE3 3.65Å; F344-W347 HydrophobicContact CG-CZ3 4.02Å; F344-W347 HydrophobicContact CZ-CZ3 4.34Å; W347-D349 PolarHBondContact NE1-OD1 2.69Å | ||
| 348 | R | 50.4 | Low | 43 | Very low | 147 Ų | 147 | 93.8 Ų | 93.8 | 56% | 0.555 | 49% | 0.485 | S | S | * | . | trans | -128.4 | 118.1 | 177.6 | -65.5 | 178.5 | -169.7 | -146.6 | 0.8 | 108.8 | M274 D346 | M274-R348 VanDerWaalsContact CE-O 3.3Å; M274-R348 WeakPolarHBondContact CE-O 3.38Å; M274-R348 HydrophobicContact SD-CB 4.45Å; M274-R348 PolarHBondContact SD-N 3.4Å; M274-R348 VanDerWaalsContact SD-N 3.4Å; D346-R348 PolarHBondContact O-N 2.62Å | ||
| 349 | D | 48.1 | Very low | 42.1 | Very low | 63 Ų | 63 | 92.1 Ų | 92.1 | 34% | 0.337 | 47% | 0.472 | S | S | . | . | trans | -69.1 | 141.9 | 171.8 | -69.5 | -36.2 | 0 | 0 | 0 | 108.8 | K341 W347 D351 Q352 | K341-D349 VanDerWaalsContact NZ-CG 3.31Å; K341-D349 IonicContact NZ-OD1 3.09Å; K341-D349 PolarHBondContact NZ-OD1 2.76Å; K341-D349 IonicContact NZ-OD2 3.11Å; K341-D349 PolarHBondContact NZ-OD2 2.8Å; W347-D349 PolarHBondContact NE1-OD1 2.69Å; D349-D351 PolarHBondContact O-N 2.66Å; D349-Q352 HydrophobicContact CB-CB 4.28Å; D349-Q352 WeakPolarHBondContact O-CB 3.37Å; D349-Q352 PolarHBondContact O-N 2.92Å | ||
| 350 | K | 40.8 | Very low | 40.9 | Very low | 191 Ų | 191 | 97.9 Ų | 97.9 | 83% | 0.83 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -8 | -172.8 | -154.8 | 174.5 | -177.1 | 174.6 | 0 | 115.2 | ||
| 351 | D | 37.2 | Very low | 39.5 | Very low | 104 Ų | 104 | 100.9 Ų | 100.9 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 14.9 | 177.4 | -54.8 | -36 | 0 | 0 | 0 | 112.7 | R56 D349 K364 | R56-D351 IonicContact NH1-OD2 3.32Å; D349-D351 PolarHBondContact O-N 2.66Å; D351-K364 IonicContact OD2-NZ 3.58Å; D351-K364 PolarHBondContact OD2-NZ 2.91Å |
| 352 | Q | 29.3 | Very low | 38.1 | Very low | 123 Ų | 123 | 104.2 Ų | 104.2 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | trans | -98 | 106.1 | -176.4 | -157.3 | 174.5 | 14.9 | 0 | 0 | 109.8 | D349 | D349-Q352 HydrophobicContact CB-CB 4.28Å; D349-Q352 WeakPolarHBondContact O-CB 3.37Å; D349-Q352 PolarHBondContact O-N 2.92Å | ||
| 353 | S | 24 | Very low | 37.1 | Very low | 109 Ų | 109 | 101.9 Ų | 101.9 | 76% | 0.762 | 52% | 0.522 | S | S | * | . | trans | -100.6 | 151.7 | 167.5 | 54.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 354 | D | 29.1 | Very low | 36.1 | Very low | 115 Ų | 115 | 107.5 Ų | 107.5 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -56.3 | 140.9 | -173.5 | -69.6 | -57.3 | 0 | 0 | 0 | 115.3 | P682 | D354-P682 WeakPolarHBondContact OD2-CG 3.46Š|
| 355 | G | 26.1 | Very low | 34.3 | Very low | 53 Ų | 53 | 112.8 Ų | 112.8 | 55% | 0.546 | 58% | 0.58 | S | S | . | * | trans | 76.2 | 151.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 356 | F | 26.4 | Very low | 33 | Very low | 208 Ų | 208 | 110 Ų | 110 | 91% | 0.912 | 58% | 0.583 | S | S | * | * | trans | -96 | 107.4 | 174.4 | -84.8 | -87.7 | 0 | 0 | 0 | 110.7 | ||||
| 357 | G | 25.9 | Very low | 31.9 | Very low | 67 Ų | 67 | 113.5 Ų | 113.5 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -169.3 | 110 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 358 | K | 23.7 | Very low | 30.9 | Very low | 180 Ų | 180 | 115.3 Ų | 115.3 | 78% | 0.783 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 65.6 | 109.5 | -163.6 | -62.9 | 174.3 | -177.9 | 162.9 | 0 | 113.2 | Y360 | K358-Y360 PolarHBondContact O-N 2.82Š|
| 359 | V | 25.4 | Very low | 30 | Very low | 74 Ų | 74 | 116.3 Ų | 116.3 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | trans | -65.5 | 88.9 | 161.5 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | V361 Q370 | V359-V361 HydrophobicContact CG1-CB 4.09Å; V359-V361 HydrophobicContact CG1-CG2 3.09Å; V359-V361 PolarHBondContact O-N 3.44Å; V359-Q370 VanDerWaalsContact CB-NE2 3.25Å; V359-Q370 WeakPolarHBondContact O-CG 3.38Å; V359-Q370 PolarHBondContact O-NE2 2.98Å; V359-Q370 PolarHBondContact O-OE1 2.99Å | ||
| 360 | Y | 23.9 | Very low | 29.2 | Very low | 197 Ų | 197 | 117.7 Ų | 117.7 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | trans | -79.6 | 87.8 | 144.1 | -89.5 | -86.5 | 0 | 0 | 0 | 106.3 | K358 T362 | K358-Y360 PolarHBondContact O-N 2.82Å; Y360-T362 PolarHBondContact O-N 3.02Å | ||
| 361 | V | 27.3 | Very low | 29.2 | Very low | 63 Ų | 63 | 110.9 Ų | 110.9 | 38% | 0.382 | 60% | 0.595 | S | S | . | * | trans | -66.5 | 94.4 | 158.6 | -179.3 | 0 | 0 | 0 | 0 | 105.8 | V359 | V359-V361 HydrophobicContact CG1-CB 4.09Å; V359-V361 HydrophobicContact CG1-CG2 3.09Å; V359-V361 PolarHBondContact O-N 3.44Å | ||
| 362 | T | 28.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 111 Ų | 111 | 71% | 0.712 | 60% | 0.601 | S | S | * | * | trans | -107.6 | 77.7 | 151.4 | 23.1 | 0 | 0 | 0 | 0 | 108.3 | Y360 | Y360-T362 PolarHBondContact O-N 3.02Š| ||
| 363 | E | 30.8 | Very low | 29.8 | Very low | 72 Ų | 72 | 110.1 Ų | 110.1 | 34% | 0.336 | 60% | 0.596 | S | S | . | * | S | Bend | trans | 74.2 | 112.6 | 157.9 | -51.5 | -168.1 | 154.1 | 0 | 0 | 120 | R56 Q367 | R56-E363 IonicContact NE-OE2 3.89Å; R56-E363 IonicContact NH2-OE2 3.11Å; E363-Q367 HydrophobicContact CG-CG 4.41Å; E363-Q367 PolarHBondContact OE1-NE2 3.26Å |
| 364 | K | 37.1 | Very low | 31 | Very low | 129 Ų | 129 | 107.2 Ų | 107.2 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 179.8 | 26.9 | 136 | -97.7 | 161.4 | -170.5 | 170.2 | 0 | 116.3 | D351 | D351-K364 IonicContact OD2-NZ 3.58Å; D351-K364 PolarHBondContact OD2-NZ 2.91Å |
| 365 | V | 27 | Very low | 31.6 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 75% | 0.752 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -139 | 151.9 | 149.5 | -176.4 | 0 | 0 | 0 | 0 | 104.5 | Q367 | V365-Q367 PolarHBondContact O-N 3.34Š|
| 366 | A | 25.5 | Very low | 32.8 | Very low | 85 Ų | 85 | 105 Ų | 105 | 70% | 0.702 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -27.5 | 114.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | I368 | A366-I368 PolarHBondContact O-N 3.21Š|
| 367 | Q | 28.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 100.6 Ų | 100.6 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | trans | -49.6 | 100.3 | -171.2 | -78 | -171.3 | 2.4 | 0 | 0 | 109.7 | E363 V365 K369 | E363-Q367 HydrophobicContact CG-CG 4.41Å; E363-Q367 PolarHBondContact OE1-NE2 3.26Å; V365-Q367 PolarHBondContact O-N 3.34Å; Q367-K369 PolarHBondContact O-N 2.76Å | ||
| 368 | I | 33.8 | Very low | 35 | Very low | 73 Ų | 73 | 97.5 Ų | 97.5 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | trans | -78.2 | 101 | 161.6 | -45.7 | 176.5 | 0 | 0 | 0 | 102.6 | A366 Q370 Q383 Q387 | A366-I368 PolarHBondContact O-N 3.21Å; I368-Q370 PolarHBondContact O-N 3.21Å; I368-Q370 VanDerWaalsContact O-N 3.07Å; I368-Q383 HydrophobicContact CG2-CB 3.83Å; I368-Q383 HydrophobicContact CG2-CG 4.24Å; I368-Q387 HydrophobicContact CB-CG 4.35Å; I368-Q387 HydrophobicContact CG2-CG 3.69Å; I368-Q387 PolarHBondContact O-NE2 2.85Å | ||
| 369 | K | 31.4 | Very low | 36.4 | Very low | 169 Ų | 169 | 94.8 Ų | 94.8 | 74% | 0.735 | 50% | 0.497 | S | S | * | . | trans | -43.7 | 123 | 170.4 | -98 | -178.5 | 172.5 | 179.7 | 0 | 107.2 | Q367 I371 Q387 | Q367-K369 PolarHBondContact O-N 2.76Å; K369-I371 VanDerWaalsContact C-N 3.34Å; K369-I371 HydrophobicContact CB-CG1 4.45Å; K369-I371 VanDerWaalsContact O-CG1 3.23Å; K369-I371 WeakPolarHBondContact O-CG1 3.28Å; K369-I371 PolarHBondContact O-N 2.99Å; K369-Q387 PolarHBondContact O-NE2 3.4Å; K369-Q387 PolarHBondContact O-OE1 3.1Å | ||
| 370 | Q | 30.6 | Very low | 37.8 | Very low | 92 Ų | 92 | 94.9 Ų | 94.9 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | trans | -58.7 | 101.7 | 167.7 | -83.5 | -85.4 | -47 | 0 | 0 | 106.7 | V359 I368 | V359-Q370 VanDerWaalsContact CB-NE2 3.25Å; V359-Q370 WeakPolarHBondContact O-CG 3.38Å; V359-Q370 PolarHBondContact O-NE2 2.98Å; V359-Q370 PolarHBondContact O-OE1 2.99Å; I368-Q370 PolarHBondContact O-N 3.21Å; I368-Q370 VanDerWaalsContact O-N 3.07Å | ||
| 371 | I | 40.4 | Very low | 39.2 | Very low | 48 Ų | 48 | 86.3 Ų | 86.3 | 25% | 0.246 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -91 | 121.3 | 176.1 | -41.8 | -176.8 | 0 | 0 | 0 | 105.7 | K369 F373 S381 M384 H388 | K369-I371 VanDerWaalsContact C-N 3.34Å; K369-I371 HydrophobicContact CB-CG1 4.45Å; K369-I371 VanDerWaalsContact O-CG1 3.23Å; K369-I371 WeakPolarHBondContact O-CG1 3.28Å; K369-I371 PolarHBondContact O-N 2.99Å; I371-F373 PolarHBondContact O-N 2.82Å; I371-S381 WeakPolarHBondContact CD1-OG 3.36Å; I371-M384 HydrophobicContact CB-CB 4.5Å; I371-M384 HydrophobicContact CB-CE 3.84Å; I371-M384 HydrophobicContact CD1-CB 4.34Å; I371-M384 HydrophobicContact CG2-CE 3.26Å; I371-H388 PolarHBondContact O-NE2 3Å; I371-H388 VanDerWaalsContact O-NE2 3.15Å |
| 372 | P | 40.1 | Very low | 40.2 | Very low | 107 Ų | 107 | 87.5 Ų | 87.5 | 70% | 0.695 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -50 | 135.9 | 170.5 | -23.5 | 32 | 0 | 0 | 0 | 109.1 | D374 M384 | P372-D374 PolarHBondContact O-N 2.87Å; P372-D374 VanDerWaalsContact O-N 3.1Å; P372-M384 VanDerWaalsContact O-CE 3.28Å; P372-M384 WeakPolarHBondContact O-CE 3.46Å |
| 373 | F | 39.8 | Very low | 40.8 | Very low | 104 Ų | 104 | 87.7 Ų | 87.7 | 46% | 0.456 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 119.1 | 178.3 | 178.7 | -96.5 | 0 | 0 | 0 | 109.1 | I371 A375 L378 H388 M390 | I371-F373 PolarHBondContact O-N 2.82Å; F373-A375 HydrophobicContact CE1-CB 4.11Å; F373-A375 HydrophobicContact CZ-CB 4.22Å; F373-L378 HydrophobicContact CE2-CD2 3.97Å; F373-L378 HydrophobicContact CZ-CD2 4.41Å; F373-H388 HydrophobicContact CD2-CB 4.39Å; F373-M390 HydrophobicContact CE2-CE 4.24Å; F373-M390 HydrophobicContact CE2-CG 4.07Å; F373-M390 HydrophobicContact CZ-CE 4.23Å |
| 374 | D | 48.5 | Very low | 41.7 | Very low | 47 Ų | 47 | 84.3 Ų | 84.3 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | trans | -134.6 | 99 | 176.9 | -178.7 | -12.7 | 0 | 0 | 0 | 107.2 | P372 S376 K377 L378 M384 | P372-D374 PolarHBondContact O-N 2.87Å; P372-D374 VanDerWaalsContact O-N 3.1Å; D374-S376 PolarHBondContact O-N 3.21Å; D374-S376 VanDerWaalsContact O-N 3.09Å; D374-S376 WeakPolarHBondContact OD1-CB 2.84Å; D374-S376 PolarHBondContact OD1-N 3.19Å; D374-S376 VanDerWaalsContact OD1-N 3.09Å; D374-S376 PolarHBondContact OD1-OG 3.07Å; D374-K377 HydrophobicContact CB-CB 4.34Å; D374-K377 PolarHBondContact O-N 3.12Å; D374-K377 WeakPolarHBondContact OD2-CD 3.39Å; D374-K377 WeakPolarHBondContact OD2-CE 3.23Å; D374-K377 WeakPolarHBondContact OD2-CG 3.26Å; D374-K377 IonicContact OD2-NZ 2.71Å; D374-K377 PolarHBondContact OD2-NZ 2.86Å; D374-L378 PolarHBondContact O-N 3.27Å; D374-M384 HydrophobicContact CB-CE 4.19Å | ||
| 375 | A | 43.3 | Very low | 42.3 | Very low | 40 Ų | 40 | 79 Ų | 79 | 33% | 0.331 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -52.3 | -33.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F373 K377 L378 D393 | F373-A375 HydrophobicContact CE1-CB 4.11Å; F373-A375 HydrophobicContact CZ-CB 4.22Å; A375-K377 VanDerWaalsContact C-N 3.28Å; A375-K377 PolarHBondContact O-N 3.04Å; A375-L378 WeakPolarHBondContact O-CB 3.5Å; A375-L378 PolarHBondContact O-N 3.46Å; A375-D393 HydrophobicContact CB-CB 4.05Å |
| 376 | S | 51.3 | Low | 42.7 | Very low | 81 Ų | 81 | 76.3 Ų | 76.3 | 57% | 0.566 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.7 | -23.1 | 179.9 | 76.4 | 0 | 0 | 0 | 0 | 113.8 | D374 H379 | D374-S376 PolarHBondContact O-N 3.21Å; D374-S376 VanDerWaalsContact O-N 3.09Å; D374-S376 WeakPolarHBondContact OD1-CB 2.84Å; D374-S376 PolarHBondContact OD1-N 3.19Å; D374-S376 VanDerWaalsContact OD1-N 3.09Å; D374-S376 PolarHBondContact OD1-OG 3.07Å; S376-H379 PolarHBondContact O-CD2 3.1Å; S376-H379 PolarHBondContact O-NE2 2.72Å |
| 377 | K | 52.1 | Low | 43.5 | Very low | 116 Ų | 116 | 74.4 Ų | 74.4 | 50% | 0.504 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -104.4 | -7 | -179 | -64.7 | -173 | -174.3 | 111.9 | 0 | 113.2 | D374 A375 H379 S380 S381 M384 | D374-K377 HydrophobicContact CB-CB 4.34Å; D374-K377 PolarHBondContact O-N 3.12Å; D374-K377 WeakPolarHBondContact OD2-CD 3.39Å; D374-K377 WeakPolarHBondContact OD2-CE 3.23Å; D374-K377 WeakPolarHBondContact OD2-CG 3.26Å; D374-K377 IonicContact OD2-NZ 2.71Å; D374-K377 PolarHBondContact OD2-NZ 2.86Å; A375-K377 VanDerWaalsContact C-N 3.28Å; A375-K377 PolarHBondContact O-N 3.04Å; K377-H379 VanDerWaalsContact C-N 3.32Å; K377-H379 PolarHBondContact O-N 3.35Å; K377-S380 WeakPolarHBondContact O-CA 3.32Å; K377-S380 PolarHBondContact O-N 3.31Å; K377-S380 PolarHBondContact O-OG 3.31Å; K377-S381 PolarHBondContact O-N 3.03Å; K377-M384 HydrophobicContact CB-CE 4.5Å |
| 378 | L | 46.1 | Very low | 44.4 | Very low | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.5 | -39.9 | -173.9 | -172.1 | 56.7 | 0 | 0 | 0 | 112.7 | F373 D374 A375 S380 S381 M384 A385 M390 D392 D393 | F373-L378 HydrophobicContact CE2-CD2 3.97Å; F373-L378 HydrophobicContact CZ-CD2 4.41Å; D374-L378 PolarHBondContact O-N 3.27Å; A375-L378 WeakPolarHBondContact O-CB 3.5Å; A375-L378 PolarHBondContact O-N 3.46Å; L378-S380 PolarHBondContact O-N 3.43Å; L378-S380 VanDerWaalsContact O-N 3.1Å; L378-S381 PolarHBondContact O-N 3.06Å; L378-M384 HydrophobicContact CB-SD 4.31Å; L378-M384 HydrophobicContact CD1-CB 4.25Å; L378-M384 HydrophobicContact CD1-CG 3.85Å; L378-M384 HydrophobicContact CD1-SD 3.88Å; L378-A385 HydrophobicContact CD1-CB 4.19Å; L378-M390 HydrophobicContact CD1-CB 4.29Å; L378-M390 HydrophobicContact CD2-CB 3.98Å; L378-D392 WeakPolarHBondContact CD2-O 3.29Å; L378-D393 HydrophobicContact CD2-CB 4.31Å |
| 379 | H | 52.9 | Low | 45.4 | Very low | 123 Ų | 123 | 73.7 Ų | 73.7 | 57% | 0.569 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.5 | 175 | 68.4 | 64.7 | 0 | 0 | 0 | 113.4 | S376 K377 R433 | S376-H379 PolarHBondContact O-CD2 3.1Å; S376-H379 PolarHBondContact O-NE2 2.72Å; K377-H379 VanDerWaalsContact C-N 3.32Å; K377-H379 PolarHBondContact O-N 3.35Å; H379-R433 PolarHBondContact O-NH1 2.99Å; H379-R433 PolarHBondContact O-NH2 3.12Å |
| 380 | S | 54.3 | Low | 46.9 | Very low | 77 Ų | 77 | 65.9 Ų | 65.9 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -6.8 | -175.8 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | K377 L378 | K377-S380 WeakPolarHBondContact O-CA 3.32Å; K377-S380 PolarHBondContact O-N 3.31Å; K377-S380 PolarHBondContact O-OG 3.31Å; L378-S380 PolarHBondContact O-N 3.43Å; L378-S380 VanDerWaalsContact O-N 3.1Å |
| 381 | S | 53.7 | Low | 48.6 | Very low | 16 Ų | 16 | 63.9 Ų | 63.9 | 11% | 0.112 | 36% | 0.363 | C | S | . | . | trans | -127.9 | 94.5 | -175.4 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | I371 K377 L378 Q383 M384 A385 | I371-S381 WeakPolarHBondContact CD1-OG 3.36Å; K377-S381 PolarHBondContact O-N 3.03Å; L378-S381 PolarHBondContact O-N 3.06Å; S381-Q383 PolarHBondContact O-N 3.42Å; S381-Q383 VanDerWaalsContact O-N 3.15Å; S381-M384 PolarHBondContact O-N 2.78Å; S381-M384 PolarHBondContact OG-N 3.29Å; S381-A385 PolarHBondContact O-N 3.46Å | ||
| 382 | P | 49.1 | Very low | 50.4 | Low | 88 Ų | 88 | 62.2 Ų | 62.2 | 57% | 0.571 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.4 | -25.7 | 175.2 | -25 | 34.7 | 0 | 0 | 0 | 114.1 | A386 | P382-A386 WeakPolarHBondContact O-CB 3.4Å; P382-A386 PolarHBondContact O-N 2.92Å; P382-A386 VanDerWaalsContact O-N 3.13Å |
| 383 | Q | 40.3 | Very low | 52.1 | Low | 120 Ų | 120 | 59.6 Ų | 59.6 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -75.7 | -38.8 | 178.5 | -71.3 | 145.4 | -8.4 | 0 | 0 | 112.1 | I368 S381 A385 Q387 | I368-Q383 HydrophobicContact CG2-CB 3.83Å; I368-Q383 HydrophobicContact CG2-CG 4.24Å; S381-Q383 PolarHBondContact O-N 3.42Å; S381-Q383 VanDerWaalsContact O-N 3.15Å; Q383-A385 VanDerWaalsContact C-N 3.35Å; Q383-Q387 WeakPolarHBondContact O-CG 3.12Å; Q383-Q387 PolarHBondContact O-N 3.44Å; Q383-Q387 VanDerWaalsContact O-N 3.07Å |
| 384 | M | 49.7 | Very low | 54 | Low | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 172.3 | -175.8 | -174 | -71.1 | 0 | 0 | 110.7 | I371 P372 D374 K377 L378 S381 A386 Q387 H388 | I371-M384 HydrophobicContact CB-CB 4.5Å; I371-M384 HydrophobicContact CB-CE 3.84Å; I371-M384 HydrophobicContact CD1-CB 4.34Å; I371-M384 HydrophobicContact CG2-CE 3.26Å; P372-M384 VanDerWaalsContact O-CE 3.28Å; P372-M384 WeakPolarHBondContact O-CE 3.46Å; D374-M384 HydrophobicContact CB-CE 4.19Å; K377-M384 HydrophobicContact CB-CE 4.5Å; L378-M384 HydrophobicContact CB-SD 4.31Å; L378-M384 HydrophobicContact CD1-CB 4.25Å; L378-M384 HydrophobicContact CD1-CG 3.85Å; L378-M384 HydrophobicContact CD1-SD 3.88Å; S381-M384 PolarHBondContact O-N 2.78Å; S381-M384 PolarHBondContact OG-N 3.29Å; M384-A386 PolarHBondContact O-N 2.96Å; M384-Q387 PolarHBondContact O-N 3.44Å; M384-H388 PolarHBondContact O-CD2 2.86Å; M384-H388 PolarHBondContact O-N 3.14Å; M384-H388 VanDerWaalsContact O-N 3.12Å |
| 385 | A | 48.7 | Very low | 55.8 | Low | 17 Ų | 17 | 56.1 Ų | 56.1 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L378 S381 Q383 N389 M390 | L378-A385 HydrophobicContact CD1-CB 4.19Å; S381-A385 PolarHBondContact O-N 3.46Å; Q383-A385 VanDerWaalsContact C-N 3.35Å; A385-N389 WeakPolarHBondContact O-CA 3.31Å; A385-N389 PolarHBondContact O-N 3.49Å; A385-N389 VanDerWaalsContact O-N 3.13Å; A385-M390 CarbonylContact C-O 3.58Å; A385-M390 WeakPolarHBondContact CA-O 3.04Å; A385-M390 WeakPolarHBondContact CB-O 3.39Å; A385-M390 PolarHBondContact O-N 2.73Å |
| 386 | A | 36.4 | Very low | 57.9 | Low | 68 Ų | 68 | 55.3 Ų | 55.3 | 56% | 0.562 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.6 | -33.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P382 M384 | P382-A386 WeakPolarHBondContact O-CB 3.4Å; P382-A386 PolarHBondContact O-N 2.92Å; P382-A386 VanDerWaalsContact O-N 3.13Å; M384-A386 PolarHBondContact O-N 2.96Å |
| 387 | Q | 42.1 | Very low | 60 | Low | 44 Ų | 44 | 57.4 Ų | 57.4 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73 | -36.8 | 178.7 | -79.5 | -174.8 | -27.1 | 0 | 0 | 113.5 | I368 K369 Q383 M384 | I368-Q387 HydrophobicContact CB-CG 4.35Å; I368-Q387 HydrophobicContact CG2-CG 3.69Å; I368-Q387 PolarHBondContact O-NE2 2.85Å; K369-Q387 PolarHBondContact O-NE2 3.4Å; K369-Q387 PolarHBondContact O-OE1 3.1Å; Q383-Q387 WeakPolarHBondContact O-CG 3.12Å; Q383-Q387 PolarHBondContact O-N 3.44Å; Q383-Q387 VanDerWaalsContact O-N 3.07Å; M384-Q387 PolarHBondContact O-N 3.44Å |
| 388 | H | 47.2 | Very low | 62.1 | Low | 52 Ų | 52 | 52.9 Ų | 52.9 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -98.9 | 3.8 | -176.3 | -66.2 | -75.1 | 0 | 0 | 0 | 112.9 | I371 F373 M384 M390 | I371-H388 PolarHBondContact O-NE2 3Å; I371-H388 VanDerWaalsContact O-NE2 3.15Å; F373-H388 HydrophobicContact CD2-CB 4.39Å; M384-H388 PolarHBondContact O-CD2 2.86Å; M384-H388 PolarHBondContact O-N 3.14Å; M384-H388 VanDerWaalsContact O-N 3.12Å; H388-M390 HydrophobicContact CB-CB 4.43Å; H388-M390 HydrophobicContact CB-CG 4Å; H388-M390 WeakPolarHBondContact O-CG 3.46Å; H388-M390 PolarHBondContact O-N 3.48Å |
| 389 | N | 55.4 | Low | 64.5 | Low | 135 Ų | 135 | 54.9 Ų | 54.9 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 36.7 | -172.5 | -64.6 | -49.1 | 0 | 0 | 0 | 113.2 | A385 | A385-N389 WeakPolarHBondContact O-CA 3.31Å; A385-N389 PolarHBondContact O-N 3.49Å; A385-N389 VanDerWaalsContact O-N 3.13Å |
| 390 | M | 63.4 | Low | 66.6 | Low | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | trans | -116.1 | 114.1 | -176.6 | -69.5 | -68.1 | -74.6 | 0 | 0 | 109.3 | F373 L378 A385 H388 D392 I480 H481 S484 | F373-M390 HydrophobicContact CE2-CE 4.24Å; F373-M390 HydrophobicContact CE2-CG 4.07Å; F373-M390 HydrophobicContact CZ-CE 4.23Å; L378-M390 HydrophobicContact CD1-CB 4.29Å; L378-M390 HydrophobicContact CD2-CB 3.98Å; A385-M390 CarbonylContact C-O 3.58Å; A385-M390 WeakPolarHBondContact CA-O 3.04Å; A385-M390 WeakPolarHBondContact CB-O 3.39Å; A385-M390 PolarHBondContact O-N 2.73Å; H388-M390 HydrophobicContact CB-CB 4.43Å; H388-M390 HydrophobicContact CB-CG 4Å; H388-M390 WeakPolarHBondContact O-CG 3.46Å; H388-M390 PolarHBondContact O-N 3.48Å; M390-D392 VanDerWaalsContact C-N 3.33Å; M390-D392 WeakPolarHBondContact CE-O 3.35Å; M390-I480 HydrophobicContact SD-CB 4.15Å; M390-I480 HydrophobicContact SD-CG2 3.73Å; M390-H481 WeakPolarHBondContact SD-CA 3.31Å; M390-H481 HydrophobicContact SD-CB 3.67Å; M390-H481 PolarHBondContact SD-N 2.77Å; M390-H481 VanDerWaalsContact SD-N 3.41Å; M390-S484 WeakPolarHBondContact CE-OG 3.01Å | ||
| 391 | V | 66.6 | Low | 68.6 | Low | 51 Ų | 51 | 47 Ų | 47 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -75.7 | -26.9 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | Y431 I436 H481 | V391-Y431 HydrophobicContact CB-CE2 4.1Å; V391-Y431 HydrophobicContact CG2-CE1 4.25Å; V391-Y431 HydrophobicContact CG2-CE2 4.12Å; V391-I436 HydrophobicContact CB-CD1 4.28Å; V391-I436 HydrophobicContact CG1-CD1 3.96Å; V391-I436 HydrophobicContact CG2-CD1 3.42Å; V391-I436 VanDerWaalsContact CG2-CD1 3.42Å; V391-H481 VanDerWaalsContact CG2-CE1 3.48Å; V391-H481 WeakPolarHBondContact CG2-CE1 3.27Å; V391-H481 WeakPolarHBondContact CG2-NE2 3.35Å |
| 392 | D | 77.9 | Confident | 70.5 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -162.1 | -164.4 | 167.3 | 69.2 | 5.5 | 0 | 0 | 0 | 110 | L378 M390 G394 Y429 Y431 H481 | L378-D392 WeakPolarHBondContact CD2-O 3.29Å; M390-D392 VanDerWaalsContact C-N 3.33Å; M390-D392 WeakPolarHBondContact CE-O 3.35Å; D392-G394 VanDerWaalsContact C-N 3.27Å; D392-G394 PolarHBondContact O-N 3.39Å; D392-G394 PolarHBondContact OD1-N 3.07Å; D392-Y429 WeakPolarHBondContact OD1-CE1 3.42Å; D392-Y429 PolarHBondContact OD1-OH 2.84Å; D392-Y429 PolarHBondContact OD2-OH 3.1Å; D392-Y431 WeakPolarHBondContact OD2-CB 3.4Å; D392-H481 IonicContact OD1-CD2 2.69Å; D392-H481 IonicContact OD1-NE2 3.97Å; D392-H481 PolarHBondContact OD1-NE2 3.32Å |
| 393 | D | 75.9 | Confident | 72.6 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | trans | -87.3 | 12.6 | -176.7 | 70.7 | -19.4 | 0 | 0 | 0 | 113.7 | A375 L378 S395 K487 | A375-D393 HydrophobicContact CB-CB 4.05Å; L378-D393 HydrophobicContact CD2-CB 4.31Å; D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 3.47Å; D393-S395 WeakPolarHBondContact OD1-CB 3.39Å; D393-S395 PolarHBondContact OD1-N 3.34Å; D393-S395 VanDerWaalsContact OD1-N 3.07Å; D393-S395 PolarHBondContact OD1-OG 3.15Å; D393-S395 PolarHBondContact OD2-OG 2.95Å; D393-K487 PolarHBondContact O-NZ 2.7Å | ||
| 394 | G | 80 | Confident | 74.9 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 71.5 | 15.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D392 Y429 K487 | D392-G394 VanDerWaalsContact C-N 3.27Å; D392-G394 PolarHBondContact O-N 3.39Å; D392-G394 PolarHBondContact OD1-N 3.07Å; G394-Y429 WeakPolarHBondContact CA-OH 3.11Å; G394-K487 VanDerWaalsContact O-CE 3.24Å; G394-K487 WeakPolarHBondContact O-CE 3.3Å; G394-K487 PolarHBondContact O-NZ 2.77Å |
| 395 | S | 84.9 | Confident | 76.2 | Confident | 77 Ų | 77 | 44.6 Ų | 44.6 | 54% | 0.538 | 25% | 0.249 | S | C | . | . | trans | -84.3 | -3.5 | -178.2 | 64.1 | 0 | 0 | 0 | 0 | 115.3 | D393 Y429 | D393-S395 VanDerWaalsContact C-N 3.28Å; D393-S395 PolarHBondContact O-N 3.47Å; D393-S395 WeakPolarHBondContact OD1-CB 3.39Å; D393-S395 PolarHBondContact OD1-N 3.34Å; D393-S395 VanDerWaalsContact OD1-N 3.07Å; D393-S395 PolarHBondContact OD1-OG 3.15Å; D393-S395 PolarHBondContact OD2-OG 2.95Å; S395-Y429 PolarHBondContact N-OH 3.44Å; S395-Y429 VanDerWaalsContact N-OH 3.15Å | ||
| 396 | G | 88.5 | Confident | 77.6 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -65.9 | 177.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | V398 Y429 T430 | G396-V398 PolarHBondContact O-N 2.75Å; G396-Y429 VanDerWaalsContact CA-CE2 3.42Å; G396-Y429 WeakPolarHBondContact CA-OH 3.46Å; G396-Y429 PolarHBondContact N-OH 2.92Å; G396-T430 CarbonylContact C-O 3.52Å; G396-T430 WeakPolarHBondContact CA-O 3.11Å |
| 397 | K | 94.7 | Very high | 80 | Confident | 125 Ų | 125 | 47 Ų | 47 | 54% | 0.543 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 125.7 | 179.8 | -172.2 | -168 | 177.6 | -146.4 | 0 | 109.7 | E399 Y429 T430 | K397-E399 WeakPolarHBondContact CE-OE2 3.49Å; K397-E399 IonicContact NZ-OE1 3.06Å; K397-E399 PolarHBondContact NZ-OE1 2.74Å; K397-E399 IonicContact NZ-OE2 2.76Å; K397-E399 PolarHBondContact NZ-OE2 3.03Å; K397-Y429 WeakPolarHBondContact O-CA 3.4Å; K397-T430 PolarHBondContact N-O 2.62Å; K397-T430 PolarHBondContact O-N 3.15Å |
| 398 | V | 95.6 | Very high | 82.5 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.4 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | G396 I400 Y416 I427 Y429 L485 | G396-V398 PolarHBondContact O-N 2.75Å; V398-I400 HydrophobicContact CG1-CD1 4.12Å; V398-I400 HydrophobicContact CG1-CG1 3.79Å; V398-Y416 HydrophobicContact CB-CD2 4.5Å; V398-Y416 HydrophobicContact CB-CE2 4.03Å; V398-Y416 HydrophobicContact CG1-CD2 4.14Å; V398-Y416 HydrophobicContact CG1-CE2 3.79Å; V398-Y416 WeakPolarHBondContact O-CE2 3.32Å; V398-Y416 PolarHBondContact O-OH 2.64Å; V398-I427 HydrophobicContact CG1-CG2 3.89Å; V398-Y429 HydrophobicContact CG2-CD2 3.77Å; V398-Y429 HydrophobicContact CG2-CE2 4.13Å; V398-L485 HydrophobicContact CG2-CB 4.18Å; V398-L485 HydrophobicContact CG2-CD1 4.44Å; V398-L485 HydrophobicContact CG2-CD2 4.46Å |
| 399 | E | 97.1 | Very high | 84.7 | Confident | 44 Ų | 44 | 49 Ų | 49 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.9 | 171.3 | -65.9 | 174.9 | 105.4 | 0 | 0 | 108.9 | K397 W401 Y416 I427 L428 | K397-E399 WeakPolarHBondContact CE-OE2 3.49Å; K397-E399 IonicContact NZ-OE1 3.06Å; K397-E399 PolarHBondContact NZ-OE1 2.74Å; K397-E399 IonicContact NZ-OE2 2.76Å; K397-E399 PolarHBondContact NZ-OE2 3.03Å; E399-W401 HydrophobicContact CB-CE3 4.49Å; E399-W401 HydrophobicContact CB-CH2 3.26Å; E399-W401 HydrophobicContact CB-CZ2 3.76Å; E399-W401 HydrophobicContact CB-CZ3 3.68Å; E399-W401 HydrophobicContact CG-CH2 4.26Å; E399-W401 VanDerWaalsContact O-CZ3 3.31Å; E399-W401 WeakPolarHBondContact O-CZ3 3.39Å; E399-Y416 WeakPolarHBondContact CA-OH 3.01Å; E399-I427 CarbonylContact O-C 3.58Å; E399-I427 WeakPolarHBondContact O-CA 3.43Å; E399-L428 HydrophobicContact CB-CB 4.4Å; E399-L428 PolarHBondContact N-O 3.43Å; E399-L428 PolarHBondContact O-N 3.06Å |
| 400 | I | 97.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.6 | -177.8 | -52 | -173.1 | 0 | 0 | 0 | 109.4 | V398 V411 Y416 F419 Y425 I427 F486 | V398-I400 HydrophobicContact CG1-CD1 4.12Å; V398-I400 HydrophobicContact CG1-CG1 3.79Å; I400-V411 HydrophobicContact CB-CB 4.18Å; I400-V411 HydrophobicContact CB-CG2 4.42Å; I400-V411 HydrophobicContact CG2-CB 4.08Å; I400-V411 HydrophobicContact CG2-CG2 3.84Å; I400-V411 PolarHBondContact O-N 2.83Å; I400-Y416 HydrophobicContact CB-CD1 4.23Å; I400-Y416 HydrophobicContact CB-CE1 3.72Å; I400-Y416 HydrophobicContact CD1-CD1 3.73Å; I400-Y416 HydrophobicContact CD1-CD2 3.85Å; I400-Y416 HydrophobicContact CD1-CE1 3.99Å; I400-Y416 HydrophobicContact CD1-CE2 4.11Å; I400-Y416 HydrophobicContact CD1-CG 3.66Å; I400-Y416 HydrophobicContact CG1-CD1 4.06Å; I400-Y416 HydrophobicContact CG1-CD2 4.19Å; I400-Y416 HydrophobicContact CG1-CE1 3.77Å; I400-Y416 HydrophobicContact CG1-CE2 3.91Å; I400-Y416 HydrophobicContact CG1-CG 4.27Å; I400-Y416 PolarHBondContact N-OH 3.08Å; I400-Y416 VanDerWaalsContact N-OH 3.13Å; I400-F419 HydrophobicContact CD1-CZ 4.46Å; I400-Y425 HydrophobicContact CG2-CD1 4.14Å; I400-I427 HydrophobicContact CB-CG1 4.47Å; I400-I427 HydrophobicContact CD1-CG1 4.33Å; I400-I427 HydrophobicContact CG1-CB 4.46Å; I400-I427 HydrophobicContact CG1-CG1 4.05Å; I400-I427 HydrophobicContact CG1-CG2 4.05Å; I400-I427 HydrophobicContact CG2-CG1 4.01Å; I400-F486 HydrophobicContact CD1-CE1 3.91Å; I400-F486 HydrophobicContact CD1-CZ 4.49Å |
| 401 | W | 96.6 | Very high | 88 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 11% | 0.114 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.6 | 170.6 | -59.2 | -92.6 | 0 | 0 | 0 | 110.3 | E399 R408 I409 Y425 I426 L428 L460 | E399-W401 HydrophobicContact CB-CE3 4.49Å; E399-W401 HydrophobicContact CB-CH2 3.26Å; E399-W401 HydrophobicContact CB-CZ2 3.76Å; E399-W401 HydrophobicContact CB-CZ3 3.68Å; E399-W401 HydrophobicContact CG-CH2 4.26Å; E399-W401 VanDerWaalsContact O-CZ3 3.31Å; E399-W401 WeakPolarHBondContact O-CZ3 3.39Å; W401-R408 HydrophobicContact CB-CB 3.82Å; W401-R408 HydrophobicContact CB-CG 4.32Å; W401-R408 HydrophobicContact CG-CB 3.83Å; W401-I409 CarbonylContact C-O 3.51Å; W401-I409 WeakPolarHBondContact CA-O 3.5Å; W401-Y425 CarbonylContact O-C 3.6Å; W401-Y425 VanDerWaalsContact O-CA 3.26Å; W401-Y425 WeakPolarHBondContact O-CA 3.13Å; W401-I426 HydrophobicContact CE3-CG2 4.43Å; W401-I426 PolarHBondContact N-O 3.04Å; W401-I426 PolarHBondContact O-N 2.85Å; W401-L428 HydrophobicContact CH2-CB 3.88Å; W401-L428 HydrophobicContact CH2-CD2 4.12Å; W401-L428 HydrophobicContact CZ3-CB 3.49Å; W401-L428 VanDerWaalsContact CZ3-CB 3.49Å; W401-L460 HydrophobicContact CZ3-CD2 4.16Å |
| 402 | R | 94.3 | Very high | 89.1 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 142.9 | 161 | 179.2 | -174.9 | 56.5 | -113.5 | 2.3 | 109 | E404 I409 V411 D423 Y425 S499 K500 | R402-E404 IonicContact CZ-OE1 3.41Å; R402-E404 IonicContact NE-OE1 3.21Å; R402-E404 PolarHBondContact NE-OE1 3.36Å; R402-E404 IonicContact NH2-OE1 2.76Å; R402-E404 PolarHBondContact NH2-OE1 3.27Å; R402-I409 PolarHBondContact N-O 2.83Å; R402-I409 PolarHBondContact O-N 2.81Å; R402-V411 HydrophobicContact CB-CG2 4.18Å; R402-D423 VanDerWaalsContact CD-CG 3.5Å; R402-D423 VanDerWaalsContact CD-OD2 3.29Å; R402-D423 WeakPolarHBondContact CD-OD2 3.44Å; R402-D423 HydrophobicContact CG-CB 4.24Å; R402-Y425 HydrophobicContact CB-CD1 4.24Å; R402-Y425 HydrophobicContact CB-CE1 4.12Å; R402-Y425 HydrophobicContact CG-CE1 4.44Å; R402-S499 WeakPolarHBondContact CD-OG 3.44Å; R402-S499 VanDerWaalsContact CZ-C 3.42Å; R402-S499 PolarHBondContact NH1-O 2.89Å; R402-S499 PolarHBondContact NH1-OG 3.05Å; R402-K500 VanDerWaalsContact CZ-CA 3.46Å |
| 403 | V | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129.3 | 173.2 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | C424 I426 T452 L456 | V403-C424 HydrophobicContact CB-CB 3.94Å; V403-C424 WeakPolarHBondContact CB-O 3.25Å; V403-C424 HydrophobicContact CG2-CB 3.96Å; V403-C424 PolarHBondContact N-O 3.3Å; V403-I426 HydrophobicContact CG2-CD1 3.91Å; V403-I426 HydrophobicContact CG2-CG1 3.87Å; V403-T452 HydrophobicContact CG1-CG2 3.76Å; V403-L456 HydrophobicContact CG1-CD1 3.99Å; V403-L456 HydrophobicContact CG2-CD1 4.39Å |
| 404 | E | 88.4 | Confident | 90.2 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 162.9 | 169.1 | -70.3 | -173.9 | -156.4 | 0 | 0 | 109.7 | R402 N406 G407 I409 K500 | R402-E404 IonicContact CZ-OE1 3.41Å; R402-E404 IonicContact NE-OE1 3.21Å; R402-E404 PolarHBondContact NE-OE1 3.36Å; R402-E404 IonicContact NH2-OE1 2.76Å; R402-E404 PolarHBondContact NH2-OE1 3.27Å; E404-N406 WeakPolarHBondContact CB-OD1 3.35Å; E404-N406 PolarHBondContact O-N 3.02Å; E404-G407 PolarHBondContact N-O 3.03Å; E404-G407 PolarHBondContact O-N 3.16Å; E404-G407 VanDerWaalsContact O-O 3.04Å; E404-I409 HydrophobicContact CB-CG1 4.09Å; E404-I409 VanDerWaalsContact CD-CG1 3.44Å; E404-I409 HydrophobicContact CG-CG1 3.86Å; E404-I409 WeakPolarHBondContact OE1-CG1 3.36Å; E404-K500 HydrophobicContact CG-CD 4.46Å; E404-K500 HydrophobicContact CG-CG 4.1Å; E404-K500 WeakPolarHBondContact OE1-CG 3.25Å |
| 405 | N | 77.9 | Confident | 90.6 | Very high | 128 Ų | 128 | 62.1 Ų | 62.1 | 68% | 0.684 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.6 | -179.3 | -68.4 | -11.8 | 0 | 0 | 0 | 113.7 | ||
| 406 | N | 76.4 | Confident | 91 | Very high | 123 Ų | 123 | 59.9 Ų | 59.9 | 66% | 0.658 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -0.1 | 179.4 | 62.8 | 8.2 | 0 | 0 | 0 | 113.8 | E404 | E404-N406 WeakPolarHBondContact CB-OD1 3.35Å; E404-N406 PolarHBondContact O-N 3.02Å |
| 407 | G | 88.1 | Confident | 91 | Very high | 14 Ų | 14 | 59 Ų | 59 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.6 | -145.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E404 L456 | E404-G407 PolarHBondContact N-O 3.03Å; E404-G407 PolarHBondContact O-N 3.16Å; E404-G407 VanDerWaalsContact O-O 3.04Å; G407-L456 WeakPolarHBondContact O-CD1 3.4Å |
| 408 | R | 93.7 | Very high | 90.9 | Very high | 78 Ų | 78 | 54.6 Ų | 54.6 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.6 | -177.1 | -70.8 | 173.2 | -73.1 | 162.9 | -3.2 | 109.9 | W401 I426 L456 | W401-R408 HydrophobicContact CB-CB 3.82Å; W401-R408 HydrophobicContact CB-CG 4.32Å; W401-R408 HydrophobicContact CG-CB 3.83Å; R408-I426 HydrophobicContact CG-CD1 4.22Å; R408-L456 HydrophobicContact CG-CB 4.19Å; R408-L456 HydrophobicContact CG-CD1 3.98Å; R408-L456 HydrophobicContact CG-CD2 4.38Å; R408-L456 HydrophobicContact CG-CG 4.42Å |
| 409 | I | 93.6 | Very high | 90.7 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122 | 178.4 | -55.1 | -52.6 | 0 | 0 | 0 | 109.5 | W401 R402 E404 V411 | W401-I409 CarbonylContact C-O 3.51Å; W401-I409 WeakPolarHBondContact CA-O 3.5Å; R402-I409 PolarHBondContact N-O 2.83Å; R402-I409 PolarHBondContact O-N 2.81Å; E404-I409 HydrophobicContact CB-CG1 4.09Å; E404-I409 VanDerWaalsContact CD-CG1 3.44Å; E404-I409 HydrophobicContact CG-CG1 3.86Å; E404-I409 WeakPolarHBondContact OE1-CG1 3.36Å; I409-V411 PolarHBondContact O-N 2.8Å |
| 410 | Q | 94.2 | Very high | 90.5 | Very high | 119 Ų | 119 | 54.2 Ų | 54.2 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.9 | -175.3 | -169.9 | 163.3 | 0.2 | 0 | 0 | 111.3 | ||
| 411 | V | 93.5 | Very high | 90 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 144.1 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | I400 R402 I409 Y416 Y425 | I400-V411 HydrophobicContact CB-CB 4.18Å; I400-V411 HydrophobicContact CB-CG2 4.42Å; I400-V411 HydrophobicContact CG2-CB 4.08Å; I400-V411 HydrophobicContact CG2-CG2 3.84Å; I400-V411 PolarHBondContact O-N 2.83Å; R402-V411 HydrophobicContact CB-CG2 4.18Å; I409-V411 PolarHBondContact O-N 2.8Å; V411-Y416 HydrophobicContact CB-CE1 4.36Å; V411-Y416 HydrophobicContact CG1-CD1 4.34Å; V411-Y416 HydrophobicContact CG1-CE1 4.48Å; V411-Y425 HydrophobicContact CG2-CD1 4.14Å; V411-Y425 HydrophobicContact CG2-CE1 4.17Å |
| 412 | D | 90.1 | Very high | 89.5 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 134.4 | 175.4 | -167.2 | -75.4 | 0 | 0 | 0 | 110.4 | N414 S415 Y416 | D412-N414 PolarHBondContact O-N 3.19Å; D412-N414 VanDerWaalsContact OD1-CB 3.22Å; D412-N414 WeakPolarHBondContact OD1-CB 3.37Å; D412-N414 PolarHBondContact OD1-N 3.31Å; D412-N414 PolarHBondContact OD1-ND2 3.46Å; D412-S415 PolarHBondContact O-N 3.15Å; D412-Y416 WeakPolarHBondContact O-CD1 3.43Å |
| 413 | Q | 89.9 | Confident | 89.4 | Confident | 135 Ų | 135 | 52.6 Ų | 52.6 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -62.2 | -26.5 | -177.9 | -71.6 | -177.5 | -10.5 | 0 | 0 | 113.2 | S415 Y416 | Q413-S415 PolarHBondContact O-N 2.69Å; Q413-Y416 HydrophobicContact CG-CE1 4.23Å; Q413-Y416 HydrophobicContact CG-CE2 4.43Å; Q413-Y416 PolarHBondContact O-N 3.48Å |
| 414 | N | 87.9 | Confident | 89.3 | Confident | 127 Ų | 127 | 52.6 Ų | 52.6 | 68% | 0.679 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -69.1 | -27.2 | 176.4 | -60 | -57.9 | 0 | 0 | 0 | 112 | D412 | D412-N414 PolarHBondContact O-N 3.19Å; D412-N414 VanDerWaalsContact OD1-CB 3.22Å; D412-N414 WeakPolarHBondContact OD1-CB 3.37Å; D412-N414 PolarHBondContact OD1-N 3.31Å; D412-N414 PolarHBondContact OD1-ND2 3.46Å |
| 415 | S | 88.5 | Confident | 89.7 | Confident | 41 Ų | 41 | 51 Ų | 51 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -93 | 10.1 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | D412 Q413 G417 E418 | D412-S415 PolarHBondContact O-N 3.15Å; Q413-S415 PolarHBondContact O-N 2.69Å; S415-G417 PolarHBondContact O-N 2.99Å; S415-E418 WeakPolarHBondContact O-CB 3.32Å; S415-E418 PolarHBondContact O-N 2.57Å |
| 416 | Y | 92.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 45 Ų | 45 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 125.6 | 172.4 | -80.8 | 20.5 | 0 | 0 | 0 | 110.1 | V398 E399 I400 V411 D412 Q413 | V398-Y416 HydrophobicContact CB-CD2 4.5Å; V398-Y416 HydrophobicContact CB-CE2 4.03Å; V398-Y416 HydrophobicContact CG1-CD2 4.14Å; V398-Y416 HydrophobicContact CG1-CE2 3.79Å; V398-Y416 WeakPolarHBondContact O-CE2 3.32Å; V398-Y416 PolarHBondContact O-OH 2.64Å; E399-Y416 WeakPolarHBondContact CA-OH 3.01Å; I400-Y416 HydrophobicContact CB-CD1 4.23Å; I400-Y416 HydrophobicContact CB-CE1 3.72Å; I400-Y416 HydrophobicContact CD1-CD1 3.73Å; I400-Y416 HydrophobicContact CD1-CD2 3.85Å; I400-Y416 HydrophobicContact CD1-CE1 3.99Å; I400-Y416 HydrophobicContact CD1-CE2 4.11Å; I400-Y416 HydrophobicContact CD1-CG 3.66Å; I400-Y416 HydrophobicContact CG1-CD1 4.06Å; I400-Y416 HydrophobicContact CG1-CD2 4.19Å; I400-Y416 HydrophobicContact CG1-CE1 3.77Å; I400-Y416 HydrophobicContact CG1-CE2 3.91Å; I400-Y416 HydrophobicContact CG1-CG 4.27Å; I400-Y416 PolarHBondContact N-OH 3.08Å; I400-Y416 VanDerWaalsContact N-OH 3.13Å; V411-Y416 HydrophobicContact CB-CE1 4.36Å; V411-Y416 HydrophobicContact CG1-CD1 4.34Å; V411-Y416 HydrophobicContact CG1-CE1 4.48Å; D412-Y416 WeakPolarHBondContact O-CD1 3.43Å; Q413-Y416 HydrophobicContact CG-CE1 4.23Å; Q413-Y416 HydrophobicContact CG-CE2 4.43Å; Q413-Y416 PolarHBondContact O-N 3.48Å |
| 417 | G | 88.5 | Confident | 91.6 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -3.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S415 I492 | S415-G417 PolarHBondContact O-N 2.99Å; G417-I492 PolarHBondContact O-N 3.06Å |
| 418 | E | 92.4 | Very high | 92 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 117 | 172.2 | -63.6 | 171.9 | -148.8 | 0 | 0 | 109.9 | S415 I492 Y494 | S415-E418 WeakPolarHBondContact O-CB 3.32Å; S415-E418 PolarHBondContact O-N 2.57Å; E418-I492 WeakPolarHBondContact CA-O 3.13Å; E418-I492 HydrophobicContact CG-CB 4.23Å; E418-I492 HydrophobicContact CG-CD1 4.21Å; E418-Y494 HydrophobicContact CB-CE2 4.11Å; E418-Y494 HydrophobicContact CG-CE2 4.48Å |
| 419 | F | 92.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.9 | 179.9 | -66.6 | -87.2 | 0 | 0 | 0 | 110.7 | I400 Y425 I427 W440 F486 L491 I492 I493 Y494 | I400-F419 HydrophobicContact CD1-CZ 4.46Å; F419-Y425 HydrophobicContact CB-CE2 4.3Å; F419-Y425 AromaticContact CD1-CD1 3.94Å; F419-Y425 HydrophobicContact CD1-CD1 3.94Å; F419-Y425 AromaticContact CD1-CD2 3.49Å; F419-Y425 HydrophobicContact CD1-CD2 3.49Å; F419-Y425 VanDerWaalsContact CD1-CD2 3.49Å; F419-Y425 HydrophobicContact CD1-CE1 4.18Å; F419-Y425 AromaticContact CD1-CE2 3.76Å; F419-Y425 HydrophobicContact CD1-CE2 3.76Å; F419-Y425 AromaticContact CD1-CG 3.59Å; F419-Y425 HydrophobicContact CD1-CG 3.59Å; F419-Y425 HydrophobicContact CE1-CD1 4.01Å; F419-Y425 HydrophobicContact CE1-CD2 4.09Å; F419-Y425 AromaticContact CE1-CG 3.72Å; F419-Y425 HydrophobicContact CE1-CG 3.72Å; F419-I427 HydrophobicContact CE1-CD1 4.07Å; F419-I427 HydrophobicContact CZ-CD1 3.87Å; F419-W440 HydrophobicContact CB-CH2 3.87Å; F419-W440 HydrophobicContact CB-CZ2 4.1Å; F419-W440 HydrophobicContact CB-CZ3 4.13Å; F419-W440 HydrophobicContact CD1-CD2 4.19Å; F419-W440 HydrophobicContact CD1-CE3 4.16Å; F419-W440 HydrophobicContact CD1-CZ3 4.48Å; F419-F486 HydrophobicContact CE2-CE1 4.15Å; F419-F486 HydrophobicContact CE2-CE2 4.06Å; F419-F486 AromaticContact CE2-CZ 3.55Å; F419-F486 HydrophobicContact CE2-CZ 3.55Å; F419-F486 HydrophobicContact CZ-CE1 4.25Å; F419-F486 HydrophobicContact CZ-CE2 4.48Å; F419-F486 AromaticContact CZ-CZ 3.65Å; F419-F486 HydrophobicContact CZ-CZ 3.65Å; F419-L491 HydrophobicContact CD2-CD1 3.4Å; F419-L491 VanDerWaalsContact CD2-CD1 3.4Å; F419-L491 HydrophobicContact CD2-CG 4.49Å; F419-L491 HydrophobicContact CE2-CD1 3.48Å; F419-L491 VanDerWaalsContact CE2-CD1 3.48Å; F419-I492 PolarHBondContact N-O 2.78Å; F419-I493 CarbonylContact O-C 3.53Å; F419-I493 WeakPolarHBondContact O-CA 3.27Å; F419-Y494 WeakPolarHBondContact O-CD2 3.31Å; F419-Y494 PolarHBondContact O-N 3.27Å |
| 420 | Y | 91.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 34.2 Ų | 34.2 | 21% | 0.212 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.3 | 176.1 | -69.4 | -104.4 | 0 | 0 | 0 | 108.8 | G422 D423 Y425 Y494 | Y420-G422 PolarHBondContact O-N 2.76Å; Y420-D423 PolarHBondContact O-N 2.78Å; Y420-Y425 WeakPolarHBondContact CD2-OH 3.48Å; Y420-Y425 PolarHBondContact N-OH 2.99Å; Y420-Y494 AromaticContact CD1-CD2 3.87Å; Y420-Y494 HydrophobicContact CD1-CD2 3.87Å; Y420-Y494 HydrophobicContact CD1-CG 4.12Å; Y420-Y494 AromaticContact CD2-CD2 3.88Å; Y420-Y494 HydrophobicContact CD2-CD2 3.88Å; Y420-Y494 AromaticContact CE1-CD2 3.58Å; Y420-Y494 HydrophobicContact CE1-CD2 3.58Å; Y420-Y494 HydrophobicContact CE1-CE2 4.33Å; Y420-Y494 AromaticContact CE1-CG 3.94Å; Y420-Y494 HydrophobicContact CE1-CG 3.94Å; Y420-Y494 AromaticContact CE2-CD2 3.58Å; Y420-Y494 HydrophobicContact CE2-CD2 3.58Å; Y420-Y494 AromaticContact CE2-CE2 3.92Å; Y420-Y494 HydrophobicContact CE2-CE2 3.92Å; Y420-Y494 HydrophobicContact CG-CD2 4.03Å; Y420-Y494 AromaticContact CZ-CD2 3.43Å; Y420-Y494 VanDerWaalsContact CZ-CD2 3.43Å; Y420-Y494 AromaticContact CZ-CE2 3.79Å |
| 421 | G | 86.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G442 A443 N444 A445 Y494 | G421-G442 CarbonylContact O-C 3.49Å; G421-G442 WeakPolarHBondContact O-CA 3.2Å; G421-A443 PolarHBondContact O-N 3.45Å; G421-N444 CarbonylContact O-C 3.52Å; G421-N444 VanDerWaalsContact O-C 3.29Å; G421-N444 WeakPolarHBondContact O-CA 3.34Å; G421-N444 PolarHBondContact O-N 3.42Å; G421-A445 PolarHBondContact O-N 2.97Å; G421-A445 VanDerWaalsContact O-N 3.09Å; G421-Y494 PolarHBondContact N-O 3Å |
| 422 | G | 87.5 | Confident | 91.3 | Very high | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y420 G497 | Y420-G422 PolarHBondContact O-N 2.76Å; G422-G497 WeakPolarHBondContact CA-O 3.37Å; G422-G497 PolarHBondContact N-O 2.9Å |
| 423 | D | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -120.4 | 159.8 | -176.6 | -74.5 | -33.8 | 0 | 0 | 0 | 111.8 | R402 Y420 Y425 G442 T498 S499 K500 | R402-D423 VanDerWaalsContact CD-CG 3.5Å; R402-D423 VanDerWaalsContact CD-OD2 3.29Å; R402-D423 WeakPolarHBondContact CD-OD2 3.44Å; R402-D423 HydrophobicContact CG-CB 4.24Å; Y420-D423 PolarHBondContact O-N 2.78Å; D423-Y425 HydrophobicContact CB-CD2 4.22Å; D423-Y425 HydrophobicContact CB-CE2 3.4Å; D423-Y425 VanDerWaalsContact CB-CE2 3.4Å; D423-Y425 PolarHBondContact OD2-OH 3.21Å; D423-Y425 VanDerWaalsContact OD2-OH 3.06Å; D423-G442 PolarHBondContact O-N 2.84Å; D423-G442 VanDerWaalsContact O-N 3.11Å; D423-T498 VanDerWaalsContact CG-OG1 3.24Å; D423-T498 WeakPolarHBondContact OD1-CB 3.45Å; D423-T498 PolarHBondContact OD1-OG1 2.94Å; D423-T498 WeakPolarHBondContact OD2-CA 3.42Å; D423-T498 PolarHBondContact OD2-OG1 2.89Å; D423-T498 VanDerWaalsContact OD2-OG1 3.09Å; D423-S499 PolarHBondContact OD2-N 3.18Å; D423-S499 PolarHBondContact OD2-OG 2.86Å; D423-K500 IonicContact OD1-NZ 3.69Å | ||
| 424 | C | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 145.7 | 163.2 | -68.9 | 0 | 0 | 0 | 0 | 110.4 | V403 W440 | V403-C424 HydrophobicContact CB-CB 3.94Å; V403-C424 WeakPolarHBondContact CB-O 3.25Å; V403-C424 HydrophobicContact CG2-CB 3.96Å; V403-C424 PolarHBondContact N-O 3.3Å; C424-W440 CarbonylContact C-O 3.57Å; C424-W440 WeakPolarHBondContact CA-O 3.36Å |
| 425 | Y | 95.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.4 | -179.2 | -60.1 | -102.6 | 0 | 0 | 0 | 110.8 | I400 W401 R402 V411 F419 Y420 D423 T439 W440 S499 | I400-Y425 HydrophobicContact CG2-CD1 4.14Å; W401-Y425 CarbonylContact O-C 3.6Å; W401-Y425 VanDerWaalsContact O-CA 3.26Å; W401-Y425 WeakPolarHBondContact O-CA 3.13Å; R402-Y425 HydrophobicContact CB-CD1 4.24Å; R402-Y425 HydrophobicContact CB-CE1 4.12Å; R402-Y425 HydrophobicContact CG-CE1 4.44Å; V411-Y425 HydrophobicContact CG2-CD1 4.14Å; V411-Y425 HydrophobicContact CG2-CE1 4.17Å; F419-Y425 HydrophobicContact CB-CE2 4.3Å; F419-Y425 AromaticContact CD1-CD1 3.94Å; F419-Y425 HydrophobicContact CD1-CD1 3.94Å; F419-Y425 AromaticContact CD1-CD2 3.49Å; F419-Y425 HydrophobicContact CD1-CD2 3.49Å; F419-Y425 VanDerWaalsContact CD1-CD2 3.49Å; F419-Y425 HydrophobicContact CD1-CE1 4.18Å; F419-Y425 AromaticContact CD1-CE2 3.76Å; F419-Y425 HydrophobicContact CD1-CE2 3.76Å; F419-Y425 AromaticContact CD1-CG 3.59Å; F419-Y425 HydrophobicContact CD1-CG 3.59Å; F419-Y425 HydrophobicContact CE1-CD1 4.01Å; F419-Y425 HydrophobicContact CE1-CD2 4.09Å; F419-Y425 AromaticContact CE1-CG 3.72Å; F419-Y425 HydrophobicContact CE1-CG 3.72Å; Y420-Y425 WeakPolarHBondContact CD2-OH 3.48Å; Y420-Y425 PolarHBondContact N-OH 2.99Å; D423-Y425 HydrophobicContact CB-CD2 4.22Å; D423-Y425 HydrophobicContact CB-CE2 3.4Å; D423-Y425 VanDerWaalsContact CB-CE2 3.4Å; D423-Y425 PolarHBondContact OD2-OH 3.21Å; D423-Y425 VanDerWaalsContact OD2-OH 3.06Å; Y425-T439 CarbonylContact O-C 3.45Å; Y425-T439 WeakPolarHBondContact O-CA 3.3Å; Y425-W440 AromaticContact CD2-CE3 3.62Å; Y425-W440 HydrophobicContact CD2-CE3 3.62Å; Y425-W440 AromaticContact CD2-CZ3 3.96Å; Y425-W440 HydrophobicContact CD2-CZ3 3.96Å; Y425-W440 HydrophobicContact CE2-CE3 4.16Å; Y425-W440 HydrophobicContact CE2-CZ3 4.01Å; Y425-W440 PolarHBondContact N-O 3.49Å; Y425-W440 PolarHBondContact O-N 2.94Å; Y425-S499 PolarHBondContact OH-OG 3.42Å |
| 426 | I | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124 | 171.6 | -62.7 | 175.7 | 0 | 0 | 0 | 107.1 | W401 V403 R408 I437 Y438 L456 L460 | W401-I426 HydrophobicContact CE3-CG2 4.43Å; W401-I426 PolarHBondContact N-O 3.04Å; W401-I426 PolarHBondContact O-N 2.85Å; V403-I426 HydrophobicContact CG2-CD1 3.91Å; V403-I426 HydrophobicContact CG2-CG1 3.87Å; R408-I426 HydrophobicContact CG-CD1 4.22Å; I426-I437 HydrophobicContact CG2-CG2 3.65Å; I426-Y438 CarbonylContact C-O 3.5Å; I426-Y438 WeakPolarHBondContact CA-O 3.43Å; I426-L456 HydrophobicContact CD1-CB 3.46Å; I426-L456 VanDerWaalsContact CD1-CB 3.46Å; I426-L460 HydrophobicContact CG2-CD2 3.76Å |
| 427 | I | 97.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.2 | -177.6 | -54.3 | 162.3 | 0 | 0 | 0 | 107.5 | V398 E399 I400 F419 I437 Y438 L482 L485 | V398-I427 HydrophobicContact CG1-CG2 3.89Å; E399-I427 CarbonylContact O-C 3.58Å; E399-I427 WeakPolarHBondContact O-CA 3.43Å; I400-I427 HydrophobicContact CB-CG1 4.47Å; I400-I427 HydrophobicContact CD1-CG1 4.33Å; I400-I427 HydrophobicContact CG1-CB 4.46Å; I400-I427 HydrophobicContact CG1-CG1 4.05Å; I400-I427 HydrophobicContact CG1-CG2 4.05Å; I400-I427 HydrophobicContact CG2-CG1 4.01Å; F419-I427 HydrophobicContact CE1-CD1 4.07Å; F419-I427 HydrophobicContact CZ-CD1 3.87Å; I427-I437 CarbonylContact O-C 3.55Å; I427-I437 WeakPolarHBondContact O-CA 3.32Å; I427-Y438 PolarHBondContact N-O 2.98Å; I427-Y438 PolarHBondContact O-N 3.2Å; I427-L482 HydrophobicContact CD1-CD1 3.57Å; I427-L485 HydrophobicContact CG2-CD1 4.02Å |
| 428 | L | 97 | Very high | 91.1 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.7 | 169.5 | 177.8 | 62.5 | 0 | 0 | 0 | 108.8 | E399 W401 Q435 I437 L460 L464 | E399-L428 HydrophobicContact CB-CB 4.4Å; E399-L428 PolarHBondContact N-O 3.43Å; E399-L428 PolarHBondContact O-N 3.06Å; W401-L428 HydrophobicContact CH2-CB 3.88Å; W401-L428 HydrophobicContact CH2-CD2 4.12Å; W401-L428 HydrophobicContact CZ3-CB 3.49Å; W401-L428 VanDerWaalsContact CZ3-CB 3.49Å; L428-Q435 HydrophobicContact CD1-CB 4.14Å; L428-I437 HydrophobicContact CD1-CG1 3.94Å; L428-L460 HydrophobicContact CB-CD2 4.29Å; L428-L460 HydrophobicContact CD2-CD1 4.42Å; L428-L464 HydrophobicContact CD1-CD1 3.57Å; L428-L464 HydrophobicContact CD2-CD1 4.03Å; L428-L464 HydrophobicContact CG-CD1 4.47Å |
| 429 | Y | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.3 | 170.3 | -178 | -114.5 | 0 | 0 | 0 | 109.7 | D392 G394 S395 G396 K397 V398 Y431 Q435 I436 H481 L485 | D392-Y429 WeakPolarHBondContact OD1-CE1 3.42Å; D392-Y429 PolarHBondContact OD1-OH 2.84Å; D392-Y429 PolarHBondContact OD2-OH 3.1Å; G394-Y429 WeakPolarHBondContact CA-OH 3.11Å; S395-Y429 PolarHBondContact N-OH 3.44Å; S395-Y429 VanDerWaalsContact N-OH 3.15Å; G396-Y429 VanDerWaalsContact CA-CE2 3.42Å; G396-Y429 WeakPolarHBondContact CA-OH 3.46Å; G396-Y429 PolarHBondContact N-OH 2.92Å; K397-Y429 WeakPolarHBondContact O-CA 3.4Å; V398-Y429 HydrophobicContact CG2-CD2 3.77Å; V398-Y429 HydrophobicContact CG2-CE2 4.13Å; Y429-Y431 AromaticContact CD1-CD1 3.82Å; Y429-Y431 HydrophobicContact CD1-CD1 3.82Å; Y429-Y431 HydrophobicContact CD1-CG 4.37Å; Y429-Y431 AromaticContact CE1-CD1 3.8Å; Y429-Y431 HydrophobicContact CE1-CD1 3.8Å; Y429-Y431 AromaticContact CE1-CG 3.89Å; Y429-Y431 HydrophobicContact CE1-CG 3.89Å; Y429-Q435 CarbonylContact O-C 3.58Å; Y429-Q435 VanDerWaalsContact O-CA 3.28Å; Y429-Q435 WeakPolarHBondContact O-CA 3.27Å; Y429-I436 PolarHBondContact N-O 2.92Å; Y429-I436 PolarHBondContact O-N 2.79Å; Y429-H481 AromaticContact CD1-CE1 3.58Å; Y429-H481 AromaticContact CE1-CE1 3.53Å; Y429-H481 AromaticContact CE1-NE2 3.63Å; Y429-L485 HydrophobicContact CD1-CD2 4.34Å; Y429-L485 HydrophobicContact CD2-CD1 4.28Å; Y429-L485 HydrophobicContact CD2-CD2 3.48Å; Y429-L485 VanDerWaalsContact CD2-CD2 3.48Å; Y429-L485 HydrophobicContact CE1-CD2 4.32Å; Y429-L485 HydrophobicContact CE2-CD2 3.46Å; Y429-L485 VanDerWaalsContact CE2-CD2 3.46Å; Y429-L485 HydrophobicContact CG-CD1 4.42Å; Y429-L485 HydrophobicContact CG-CD2 3.91Å |
| 430 | T | 93.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 25.9 Ų | 25.9 | 26% | 0.258 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.9 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 109.7 | G396 K397 Q435 | G396-T430 CarbonylContact C-O 3.52Å; G396-T430 WeakPolarHBondContact CA-O 3.11Å; K397-T430 PolarHBondContact N-O 2.62Å; K397-T430 PolarHBondContact O-N 3.15Å; T430-Q435 HydrophobicContact CG2-CG 4.04Å; T430-Q435 PolarHBondContact OG1-NE2 2.8Å |
| 431 | Y | 88.6 | Confident | 90.6 | Very high | 39 Ų | 39 | 23.8 Ų | 23.8 | 15% | 0.153 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 165.9 | -179 | 67.6 | -70.7 | 0 | 0 | 0 | 109.8 | V391 D392 Y429 R433 G434 I436 | V391-Y431 HydrophobicContact CB-CE2 4.1Å; V391-Y431 HydrophobicContact CG2-CE1 4.25Å; V391-Y431 HydrophobicContact CG2-CE2 4.12Å; D392-Y431 WeakPolarHBondContact OD2-CB 3.4Å; Y429-Y431 AromaticContact CD1-CD1 3.82Å; Y429-Y431 HydrophobicContact CD1-CD1 3.82Å; Y429-Y431 HydrophobicContact CD1-CG 4.37Å; Y429-Y431 AromaticContact CE1-CD1 3.8Å; Y429-Y431 HydrophobicContact CE1-CD1 3.8Å; Y429-Y431 AromaticContact CE1-CG 3.89Å; Y429-Y431 HydrophobicContact CE1-CG 3.89Å; Y431-R433 HydrophobicContact CD2-CB 4.06Å; Y431-R433 HydrophobicContact CE2-CB 3.63Å; Y431-R433 PolarHBondContact O-N 2.92Å; Y431-G434 WeakPolarHBondContact CD1-O 3.5Å; Y431-G434 WeakPolarHBondContact CE1-O 3.38Å; Y431-G434 PolarHBondContact N-O 2.74Å; Y431-G434 PolarHBondContact O-N 3.38Å; Y431-I436 HydrophobicContact CE1-CD1 4.24Å; Y431-I436 HydrophobicContact CE1-CG1 3.93Å |
| 432 | P | 82.4 | Confident | 90.5 | Very high | 133 Ų | 133 | 24.1 Ų | 24.1 | 86% | 0.864 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.8 | -170 | -29.5 | 36.5 | 0 | 0 | 0 | 116 | ||
| 433 | R | 78.8 | Confident | 90.1 | Very high | 156 Ų | 156 | 25.7 Ų | 25.7 | 59% | 0.589 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -1.8 | -177.1 | -65.1 | -179 | 173 | 160.7 | 2.9 | 114.3 | H379 Y431 | H379-R433 PolarHBondContact O-NH1 2.99Å; H379-R433 PolarHBondContact O-NH2 3.12Å; Y431-R433 HydrophobicContact CD2-CB 4.06Å; Y431-R433 HydrophobicContact CE2-CB 3.63Å; Y431-R433 PolarHBondContact O-N 2.92Å |
| 434 | G | 87.8 | Confident | 89.6 | Confident | 28 Ų | 28 | 28.9 Ų | 28.9 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | -161.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y431 | Y431-G434 WeakPolarHBondContact CD1-O 3.5Å; Y431-G434 WeakPolarHBondContact CE1-O 3.38Å; Y431-G434 PolarHBondContact N-O 2.74Å; Y431-G434 PolarHBondContact O-N 3.38Å |
| 435 | Q | 91.9 | Very high | 89.3 | Confident | 52 Ų | 52 | 29.6 Ų | 29.6 | 24% | 0.243 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.8 | -177.6 | -61.8 | -178.3 | -66 | 0 | 0 | 110.1 | L428 Y429 T430 A468 V469 | L428-Q435 HydrophobicContact CD1-CB 4.14Å; Y429-Q435 CarbonylContact O-C 3.58Å; Y429-Q435 VanDerWaalsContact O-CA 3.28Å; Y429-Q435 WeakPolarHBondContact O-CA 3.27Å; T430-Q435 HydrophobicContact CG2-CG 4.04Å; T430-Q435 PolarHBondContact OG1-NE2 2.8Å; Q435-A468 HydrophobicContact CB-CB 4.05Å; Q435-A468 WeakPolarHBondContact O-CA 3.14Å; Q435-V469 PolarHBondContact O-N 2.79Å |
| 436 | I | 90.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.4 | 174 | -55.2 | -175.8 | 0 | 0 | 0 | 108.2 | V391 Y429 Y431 Y438 V469 I471 | V391-I436 HydrophobicContact CB-CD1 4.28Å; V391-I436 HydrophobicContact CG1-CD1 3.96Å; V391-I436 HydrophobicContact CG2-CD1 3.42Å; V391-I436 VanDerWaalsContact CG2-CD1 3.42Å; Y429-I436 PolarHBondContact N-O 2.92Å; Y429-I436 PolarHBondContact O-N 2.79Å; Y431-I436 HydrophobicContact CE1-CD1 4.24Å; Y431-I436 HydrophobicContact CE1-CG1 3.93Å; I436-Y438 HydrophobicContact CB-CE2 4.29Å; I436-Y438 HydrophobicContact CG2-CD2 3.95Å; I436-Y438 HydrophobicContact CG2-CE1 4.32Å; I436-Y438 HydrophobicContact CG2-CE2 3.58Å; I436-Y438 HydrophobicContact CG2-CG 4.46Å; I436-V469 CarbonylContact C-O 3.54Å; I436-V469 WeakPolarHBondContact CA-O 3.38Å; I436-V469 HydrophobicContact CG1-CB 4.28Å; I436-I471 HydrophobicContact CG2-CD1 3.82Å; I436-I471 HydrophobicContact CG2-CG1 4.2Å |
| 437 | I | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 108.9 | 170.8 | -56 | 165.8 | 0 | 0 | 0 | 107.8 | I426 I427 L428 T457 L460 D461 L464 A468 V469 Q470 I471 | I426-I437 HydrophobicContact CG2-CG2 3.65Å; I427-I437 CarbonylContact O-C 3.55Å; I427-I437 WeakPolarHBondContact O-CA 3.32Å; L428-I437 HydrophobicContact CD1-CG1 3.94Å; I437-T457 HydrophobicContact CB-CG2 4.45Å; I437-T457 HydrophobicContact CG2-CG2 3.8Å; I437-L460 HydrophobicContact CD1-CB 4.27Å; I437-L460 HydrophobicContact CD1-CD2 4Å; I437-L460 HydrophobicContact CD1-CG 3.84Å; I437-L460 HydrophobicContact CG1-CD2 4.07Å; I437-L460 HydrophobicContact CG1-CG 4.4Å; I437-L460 HydrophobicContact CG2-CD2 4.1Å; I437-D461 HydrophobicContact CD1-CB 3.74Å; I437-L464 HydrophobicContact CD1-CD1 4.32Å; I437-A468 HydrophobicContact CD1-CB 3.71Å; I437-A468 HydrophobicContact CG1-CB 3.94Å; I437-V469 PolarHBondContact N-O 3.4Å; I437-Q470 WeakPolarHBondContact O-CA 3.21Å; I437-I471 PolarHBondContact O-N 3.36Å |
| 438 | Y | 91.1 | Very high | 86.9 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 134.3 | 166.6 | -64.6 | -82.7 | 0 | 0 | 0 | 109.9 | I426 I427 I436 I471 V473 P479 H481 L482 L485 | I426-Y438 CarbonylContact C-O 3.5Å; I426-Y438 WeakPolarHBondContact CA-O 3.43Å; I427-Y438 PolarHBondContact N-O 2.98Å; I427-Y438 PolarHBondContact O-N 3.2Å; I436-Y438 HydrophobicContact CB-CE2 4.29Å; I436-Y438 HydrophobicContact CG2-CD2 3.95Å; I436-Y438 HydrophobicContact CG2-CE1 4.32Å; I436-Y438 HydrophobicContact CG2-CE2 3.58Å; I436-Y438 HydrophobicContact CG2-CG 4.46Å; Y438-I471 CarbonylContact C-O 3.56Å; Y438-I471 VanDerWaalsContact CA-O 3.29Å; Y438-I471 WeakPolarHBondContact CA-O 3.45Å; Y438-I471 HydrophobicContact CD1-CB 3.75Å; Y438-I471 HydrophobicContact CD1-CD1 4.37Å; Y438-I471 HydrophobicContact CD1-CG2 3.9Å; Y438-I471 HydrophobicContact CE1-CB 3.86Å; Y438-I471 HydrophobicContact CE1-CD1 3.64Å; Y438-I471 HydrophobicContact CE1-CG1 4.28Å; Y438-I471 HydrophobicContact CE1-CG2 3.87Å; Y438-V473 HydrophobicContact CD1-CG2 3.79Å; Y438-V473 HydrophobicContact CE1-CG2 4.48Å; Y438-P479 HydrophobicContact CE1-CG 3.85Å; Y438-H481 AromaticContact CE2-ND1 3.88Å; Y438-H481 AromaticContact CZ-ND1 3.69Å; Y438-H481 PolarHBondContact OH-ND1 3.17Å; Y438-L482 HydrophobicContact CD1-CB 4.31Å; Y438-L482 HydrophobicContact CD1-CD2 4.41Å; Y438-L482 HydrophobicContact CD2-CD1 4.03Å; Y438-L482 HydrophobicContact CE1-CB 4.09Å; Y438-L482 HydrophobicContact CE2-CB 4.45Å; Y438-L482 HydrophobicContact CE2-CD1 4.48Å; Y438-L482 HydrophobicContact CG-CD1 4.08Å; Y438-L485 HydrophobicContact CD2-CD1 4.35Å; Y438-L485 HydrophobicContact CE2-CD1 4.26Å |
| 439 | T | 89.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 95 | 168.1 | -48.7 | 0 | 0 | 0 | 0 | 107.4 | Y425 Q441 T457 I471 V473 | Y425-T439 CarbonylContact O-C 3.45Å; Y425-T439 WeakPolarHBondContact O-CA 3.3Å; T439-Q441 HydrophobicContact CG2-CG 4.49Å; T439-T457 WeakPolarHBondContact OG1-CG2 3.42Å; T439-T457 PolarHBondContact OG1-OG1 3.42Å; T439-I471 PolarHBondContact N-O 2.98Å; T439-V473 PolarHBondContact O-N 3.34Å |
| 440 | W | 91.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.6 | 177.9 | -172.2 | 96.8 | 0 | 0 | 0 | 110 | F419 C424 Y425 V473 Q475 E478 I493 | F419-W440 HydrophobicContact CB-CH2 3.87Å; F419-W440 HydrophobicContact CB-CZ2 4.1Å; F419-W440 HydrophobicContact CB-CZ3 4.13Å; F419-W440 HydrophobicContact CD1-CD2 4.19Å; F419-W440 HydrophobicContact CD1-CE3 4.16Å; F419-W440 HydrophobicContact CD1-CZ3 4.48Å; C424-W440 CarbonylContact C-O 3.57Å; C424-W440 WeakPolarHBondContact CA-O 3.36Å; Y425-W440 AromaticContact CD2-CE3 3.62Å; Y425-W440 HydrophobicContact CD2-CE3 3.62Å; Y425-W440 AromaticContact CD2-CZ3 3.96Å; Y425-W440 HydrophobicContact CD2-CZ3 3.96Å; Y425-W440 HydrophobicContact CE2-CE3 4.16Å; Y425-W440 HydrophobicContact CE2-CZ3 4.01Å; Y425-W440 PolarHBondContact N-O 3.49Å; Y425-W440 PolarHBondContact O-N 2.94Å; W440-V473 CarbonylContact C-O 3.6Å; W440-V473 VanDerWaalsContact CA-O 3.3Å; W440-V473 WeakPolarHBondContact CA-O 3.35Å; W440-Q475 HydrophobicContact CH2-CB 3.94Å; W440-Q475 HydrophobicContact CH2-CG 4.12Å; W440-Q475 HydrophobicContact CZ2-CB 3.56Å; W440-Q475 HydrophobicContact CZ2-CG 3.76Å; W440-E478 PolarHBondContact NE1-OE1 3.34Å; W440-I493 HydrophobicContact CH2-CG2 4.48Å; W440-I493 HydrophobicContact CZ2-CD1 4.48Å |
| 441 | Q | 85.4 | Confident | 84.5 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.3 | -173.7 | -64 | -177.9 | -26.2 | 0 | 0 | 109.8 | T439 L450 R472 V473 Q475 | T439-Q441 HydrophobicContact CG2-CG 4.49Å; Q441-L450 HydrophobicContact CB-CD2 3.71Å; Q441-L450 VanDerWaalsContact CD-CD2 3.46Å; Q441-L450 HydrophobicContact CG-CD2 3.72Å; Q441-R472 VanDerWaalsContact CD-NE 3.32Å; Q441-V473 PolarHBondContact N-O 3.43Å; Q441-Q475 PolarHBondContact O-N 3.36Å |
| 442 | G | 83.8 | Confident | 84.2 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | trans | -69.1 | 150.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | G421 D423 N444 A445 | G421-G442 CarbonylContact O-C 3.49Å; G421-G442 WeakPolarHBondContact O-CA 3.2Å; D423-G442 PolarHBondContact O-N 2.84Å; D423-G442 VanDerWaalsContact O-N 3.11Å; G442-N444 PolarHBondContact O-N 3.47Å; G442-A445 WeakPolarHBondContact O-CB 3.4Å; G442-A445 PolarHBondContact O-N 2.82Å | ||
| 443 | A | 79.6 | Confident | 84.4 | Confident | 47 Ų | 47 | 40.3 Ų | 40.3 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G421 Q475 | G421-A443 PolarHBondContact O-N 3.45Å; A443-Q475 HydrophobicContact CB-CB 4.37Å; A443-Q475 HydrophobicContact CB-CG 4.45Å |
| 444 | N | 81.8 | Confident | 84.3 | Confident | 66 Ų | 66 | 35.4 Ų | 35.4 | 35% | 0.353 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 13.5 | -177.6 | -57.1 | 61.9 | 0 | 0 | 0 | 111.6 | G421 G442 | G421-N444 CarbonylContact O-C 3.52Å; G421-N444 VanDerWaalsContact O-C 3.29Å; G421-N444 WeakPolarHBondContact O-CA 3.34Å; G421-N444 PolarHBondContact O-N 3.42Å; G442-N444 PolarHBondContact O-N 3.47Å |
| 445 | A | 84.1 | Confident | 84.1 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | trans | -70.4 | 142.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G421 G442 L450 | G421-A445 PolarHBondContact O-N 2.97Å; G421-A445 VanDerWaalsContact O-N 3.09Å; G442-A445 WeakPolarHBondContact O-CB 3.4Å; G442-A445 PolarHBondContact O-N 2.82Å; A445-L450 HydrophobicContact CB-CD2 4.29Å | ||
| 446 | T | 83.1 | Confident | 84 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 37% | 0.368 | 22% | 0.217 | S | C | . | . | trans | -73.2 | 154.3 | -177.7 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | D448 E449 L450 | T446-D448 VanDerWaalsContact CB-OD1 3.29Å; T446-D448 WeakPolarHBondContact CB-OD1 3.39Å; T446-D448 PolarHBondContact O-N 3.16Å; T446-D448 PolarHBondContact OG1-OD1 2.85Å; T446-E449 PolarHBondContact N-OE2 2.8Å; T446-E449 WeakPolarHBondContact O-CB 3.43Å; T446-E449 PolarHBondContact O-N 3.3Å; T446-E449 WeakPolarHBondContact OG1-CB 3.48Å; T446-E449 VanDerWaalsContact OG1-CD 3.23Å; T446-E449 WeakPolarHBondContact OG1-CG 3.31Å; T446-E449 PolarHBondContact OG1-N 3.09Å; T446-E449 PolarHBondContact OG1-OE2 2.92Å; T446-L450 WeakPolarHBondContact O-CG 3.38Å; T446-L450 PolarHBondContact O-N 3.03Å | ||
| 447 | Q | 76.4 | Confident | 83.9 | Confident | 136 Ų | 136 | 38.2 Ų | 38.2 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.1 | -35 | -178.8 | -174.9 | 59 | 49.7 | 0 | 0 | 112.8 | L450 T451 | Q447-L450 PolarHBondContact O-N 2.55Å; Q447-T451 WeakPolarHBondContact O-CB 3.32Å; Q447-T451 PolarHBondContact O-N 3.01Å; Q447-T451 PolarHBondContact O-OG1 2.87Å |
| 448 | D | 81.1 | Confident | 83.6 | Confident | 91 Ų | 91 | 40.6 Ų | 40.6 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 173.9 | 32.8 | -44.4 | 0 | 0 | 0 | 111.9 | T446 T451 T452 | T446-D448 VanDerWaalsContact CB-OD1 3.29Å; T446-D448 WeakPolarHBondContact CB-OD1 3.39Å; T446-D448 PolarHBondContact O-N 3.16Å; T446-D448 PolarHBondContact OG1-OD1 2.85Å; D448-T451 PolarHBondContact O-N 3.41Å; D448-T452 VanDerWaalsContact O-CB 3.28Å; D448-T452 WeakPolarHBondContact O-CB 3.49Å; D448-T452 PolarHBondContact O-N 2.76Å; D448-T452 PolarHBondContact O-OG1 2.68Å |
| 449 | E | 82.5 | Confident | 83.6 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 172.8 | -73.5 | 170 | 134.1 | 0 | 0 | 112.8 | T446 T451 T452 S453 K500 | T446-E449 PolarHBondContact N-OE2 2.8Å; T446-E449 WeakPolarHBondContact O-CB 3.43Å; T446-E449 PolarHBondContact O-N 3.3Å; T446-E449 WeakPolarHBondContact OG1-CB 3.48Å; T446-E449 VanDerWaalsContact OG1-CD 3.23Å; T446-E449 WeakPolarHBondContact OG1-CG 3.31Å; T446-E449 PolarHBondContact OG1-N 3.09Å; T446-E449 PolarHBondContact OG1-OE2 2.92Å; E449-T451 VanDerWaalsContact C-N 3.29Å; E449-T451 PolarHBondContact O-N 2.83Å; E449-T452 PolarHBondContact O-N 3.4Å; E449-S453 VanDerWaalsContact O-CB 3.29Å; E449-S453 WeakPolarHBondContact O-CB 3.28Å; E449-S453 PolarHBondContact O-N 2.93Å; E449-S453 PolarHBondContact O-OG 3.47Å; E449-K500 WeakPolarHBondContact OE1-CE 3.45Å; E449-K500 IonicContact OE1-NZ 3.26Å; E449-K500 PolarHBondContact OE1-NZ 2.76Å |
| 450 | L | 78.3 | Confident | 83.8 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 174.1 | -66.1 | 174.5 | 0 | 0 | 0 | 110.6 | Q441 A445 T446 Q447 S453 A454 | Q441-L450 HydrophobicContact CB-CD2 3.71Å; Q441-L450 VanDerWaalsContact CD-CD2 3.46Å; Q441-L450 HydrophobicContact CG-CD2 3.72Å; A445-L450 HydrophobicContact CB-CD2 4.29Å; T446-L450 WeakPolarHBondContact O-CG 3.38Å; T446-L450 PolarHBondContact O-N 3.03Å; Q447-L450 PolarHBondContact O-N 2.55Å; L450-S453 PolarHBondContact O-N 3.23Å; L450-S453 PolarHBondContact O-OG 3.03Å; L450-A454 PolarHBondContact O-N 3.31Å |
| 451 | T | 73.9 | Confident | 83.6 | Confident | 84 Ų | 84 | 45.3 Ų | 45.3 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 178.1 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | Q447 D448 E449 S453 A454 F455 | Q447-T451 WeakPolarHBondContact O-CB 3.32Å; Q447-T451 PolarHBondContact O-N 3.01Å; Q447-T451 PolarHBondContact O-OG1 2.87Å; D448-T451 PolarHBondContact O-N 3.41Å; E449-T451 VanDerWaalsContact C-N 3.29Å; E449-T451 PolarHBondContact O-N 2.83Å; T451-S453 PolarHBondContact O-N 3.25Å; T451-A454 PolarHBondContact O-N 2.87Å; T451-F455 PolarHBondContact O-N 3.08Å; T451-F455 VanDerWaalsContact O-N 3.13Å |
| 452 | T | 83.5 | Confident | 83.9 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 178.6 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | V403 D448 E449 A454 F455 L456 | V403-T452 HydrophobicContact CG1-CG2 3.76Å; D448-T452 VanDerWaalsContact O-CB 3.28Å; D448-T452 WeakPolarHBondContact O-CB 3.49Å; D448-T452 PolarHBondContact O-N 2.76Å; D448-T452 PolarHBondContact O-OG1 2.68Å; E449-T452 PolarHBondContact O-N 3.4Å; T452-A454 PolarHBondContact O-N 3.19Å; T452-F455 PolarHBondContact O-N 3.45Å; T452-L456 HydrophobicContact CG2-CD1 3.73Å; T452-L456 HydrophobicContact CG2-CG 4.13Å; T452-L456 WeakPolarHBondContact O-CB 3.3Å; T452-L456 VanDerWaalsContact O-CG 3.3Å; T452-L456 WeakPolarHBondContact O-CG 3.49Å; T452-L456 PolarHBondContact O-N 3.27Å |
| 453 | S | 87.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.1 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | E449 L450 T451 F455 L456 T457 | E449-S453 VanDerWaalsContact O-CB 3.29Å; E449-S453 WeakPolarHBondContact O-CB 3.28Å; E449-S453 PolarHBondContact O-N 2.93Å; E449-S453 PolarHBondContact O-OG 3.47Å; L450-S453 PolarHBondContact O-N 3.23Å; L450-S453 PolarHBondContact O-OG 3.03Å; T451-S453 PolarHBondContact O-N 3.25Å; S453-F455 PolarHBondContact O-N 3.49Å; S453-L456 PolarHBondContact O-N 3.45Å; S453-T457 WeakPolarHBondContact O-CB 3.42Å; S453-T457 PolarHBondContact O-N 3.48Å; S453-T457 PolarHBondContact O-OG1 2.8Å; S453-T457 VanDerWaalsContact O-OG1 3.07Å |
| 454 | A | 75.1 | Confident | 84.8 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 45% | 0.446 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L450 T451 T452 T457 V458 | L450-A454 PolarHBondContact O-N 3.31Å; T451-A454 PolarHBondContact O-N 2.87Å; T452-A454 PolarHBondContact O-N 3.19Å; A454-T457 PolarHBondContact O-N 3.14Å; A454-V458 WeakPolarHBondContact O-CG2 3.33Å; A454-V458 PolarHBondContact O-N 2.74Å |
| 455 | F | 83.5 | Confident | 85.1 | Confident | 129 Ų | 129 | 57 Ų | 57 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62 | -47.8 | 176.7 | 175.5 | -97.1 | 0 | 0 | 0 | 112.2 | T451 T452 S453 T457 V458 Q459 | T451-F455 PolarHBondContact O-N 3.08Å; T451-F455 VanDerWaalsContact O-N 3.13Å; T452-F455 PolarHBondContact O-N 3.45Å; S453-F455 PolarHBondContact O-N 3.49Å; F455-T457 VanDerWaalsContact C-N 3.33Å; F455-T457 PolarHBondContact O-N 2.76Å; F455-V458 PolarHBondContact O-N 3.48Å; F455-Q459 PolarHBondContact O-N 3.42Å |
| 456 | L | 90.2 | Very high | 85 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.7 | -32.4 | -178.7 | -70 | 174.4 | 0 | 0 | 0 | 112.5 | V403 G407 R408 I426 T452 S453 Q459 L460 | V403-L456 HydrophobicContact CG1-CD1 3.99Å; V403-L456 HydrophobicContact CG2-CD1 4.39Å; G407-L456 WeakPolarHBondContact O-CD1 3.4Å; R408-L456 HydrophobicContact CG-CB 4.19Å; R408-L456 HydrophobicContact CG-CD1 3.98Å; R408-L456 HydrophobicContact CG-CD2 4.38Å; R408-L456 HydrophobicContact CG-CG 4.42Å; I426-L456 HydrophobicContact CD1-CB 3.46Å; I426-L456 VanDerWaalsContact CD1-CB 3.46Å; T452-L456 HydrophobicContact CG2-CD1 3.73Å; T452-L456 HydrophobicContact CG2-CG 4.13Å; T452-L456 WeakPolarHBondContact O-CB 3.3Å; T452-L456 VanDerWaalsContact O-CG 3.3Å; T452-L456 WeakPolarHBondContact O-CG 3.49Å; T452-L456 PolarHBondContact O-N 3.27Å; S453-L456 PolarHBondContact O-N 3.45Å; L456-Q459 PolarHBondContact O-N 2.89Å; L456-L460 WeakPolarHBondContact O-CB 3.48Å; L456-L460 PolarHBondContact O-N 2.86Å |
| 457 | T | 88 | Confident | 85 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 172.7 | -72 | 0 | 0 | 0 | 0 | 111.3 | I437 T439 S453 A454 F455 Q459 L460 D461 Q470 | I437-T457 HydrophobicContact CB-CG2 4.45Å; I437-T457 HydrophobicContact CG2-CG2 3.8Å; T439-T457 WeakPolarHBondContact OG1-CG2 3.42Å; T439-T457 PolarHBondContact OG1-OG1 3.42Å; S453-T457 WeakPolarHBondContact O-CB 3.42Å; S453-T457 PolarHBondContact O-N 3.48Å; S453-T457 PolarHBondContact O-OG1 2.8Å; S453-T457 VanDerWaalsContact O-OG1 3.07Å; A454-T457 PolarHBondContact O-N 3.14Å; F455-T457 VanDerWaalsContact C-N 3.33Å; F455-T457 PolarHBondContact O-N 2.76Å; T457-Q459 VanDerWaalsContact C-N 3.32Å; T457-Q459 PolarHBondContact O-N 2.9Å; T457-L460 PolarHBondContact O-N 3.11Å; T457-D461 PolarHBondContact O-N 2.66Å; T457-Q470 HydrophobicContact CG2-CB 4.33Å; T457-Q470 HydrophobicContact CG2-CG 4.09Å |
| 458 | V | 86.4 | Confident | 85.4 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | A454 F455 D461 R462 | A454-V458 WeakPolarHBondContact O-CG2 3.33Å; A454-V458 PolarHBondContact O-N 2.74Å; F455-V458 PolarHBondContact O-N 3.48Å; V458-D461 PolarHBondContact O-N 2.97Å; V458-R462 WeakPolarHBondContact O-CG 3.27Å; V458-R462 PolarHBondContact O-N 3.38Å |
| 459 | Q | 90.6 | Very high | 85.5 | Confident | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.2 | -169.6 | -171.6 | 37.4 | 0 | 0 | 111.7 | F455 L456 T457 S463 | F455-Q459 PolarHBondContact O-N 3.42Å; L456-Q459 PolarHBondContact O-N 2.89Å; T457-Q459 VanDerWaalsContact C-N 3.32Å; T457-Q459 PolarHBondContact O-N 2.9Å; Q459-S463 PolarHBondContact O-N 3.11Å; Q459-S463 VanDerWaalsContact O-N 3.1Å |
| 460 | L | 93 | Very high | 85.3 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 176.1 | 173.4 | 56.9 | 0 | 0 | 0 | 110.8 | W401 I426 L428 I437 L456 T457 R462 S463 L464 | W401-L460 HydrophobicContact CZ3-CD2 4.16Å; I426-L460 HydrophobicContact CG2-CD2 3.76Å; L428-L460 HydrophobicContact CB-CD2 4.29Å; L428-L460 HydrophobicContact CD2-CD1 4.42Å; I437-L460 HydrophobicContact CD1-CB 4.27Å; I437-L460 HydrophobicContact CD1-CD2 4Å; I437-L460 HydrophobicContact CD1-CG 3.84Å; I437-L460 HydrophobicContact CG1-CD2 4.07Å; I437-L460 HydrophobicContact CG1-CG 4.4Å; I437-L460 HydrophobicContact CG2-CD2 4.1Å; L456-L460 WeakPolarHBondContact O-CB 3.48Å; L456-L460 PolarHBondContact O-N 2.86Å; T457-L460 PolarHBondContact O-N 3.11Å; L460-R462 VanDerWaalsContact C-N 3.33Å; L460-R462 PolarHBondContact O-N 3.12Å; L460-S463 WeakPolarHBondContact O-CB 3.45Å; L460-S463 PolarHBondContact O-N 3.02Å; L460-S463 PolarHBondContact O-OG 2.83Å; L460-L464 HydrophobicContact CD1-CD1 3.95Å; L460-L464 HydrophobicContact CD1-CG 4.09Å; L460-L464 HydrophobicContact CG-CD1 4.14Å; L460-L464 WeakPolarHBondContact O-CG 3.35Å; L460-L464 PolarHBondContact O-N 2.81Å; L460-L464 VanDerWaalsContact O-N 3.1Å |
| 461 | D | 88.8 | Confident | 85.1 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 10% | 0.096 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 178.1 | -179.2 | 32.8 | 0 | 0 | 0 | 112 | I437 T457 V458 S463 L464 G465 G466 Q467 A468 Q470 | I437-D461 HydrophobicContact CD1-CB 3.74Å; T457-D461 PolarHBondContact O-N 2.66Å; V458-D461 PolarHBondContact O-N 2.97Å; D461-S463 VanDerWaalsContact C-N 3.28Å; D461-S463 PolarHBondContact O-N 2.8Å; D461-L464 CarbonylContact O-C 3.57Å; D461-L464 WeakPolarHBondContact O-CA 3.36Å; D461-L464 WeakPolarHBondContact O-CB 3.41Å; D461-L464 PolarHBondContact O-N 2.77Å; D461-G465 PolarHBondContact O-N 2.95Å; D461-G466 WeakPolarHBondContact O-CA 3.2Å; D461-G466 PolarHBondContact O-N 2.76Å; D461-G466 VanDerWaalsContact OD1-C 3.3Å; D461-G466 VanDerWaalsContact OD1-CA 3.31Å; D461-G466 WeakPolarHBondContact OD1-CA 3.18Å; D461-Q467 PolarHBondContact OD1-N 2.64Å; D461-A468 WeakPolarHBondContact OD1-CB 3.44Å; D461-A468 PolarHBondContact OD1-N 2.79Å; D461-Q470 HydrophobicContact CB-CG 4.44Å; D461-Q470 VanDerWaalsContact CB-NE2 3.33Å; D461-Q470 VanDerWaalsContact CG-NE2 3.35Å; D461-Q470 PolarHBondContact OD2-NE2 2.93Å |
| 462 | R | 90.7 | Very high | 85.3 | Confident | 183 Ų | 183 | 66 Ų | 66 | 69% | 0.691 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.6 | -40.3 | 174.8 | -73.5 | 175.7 | -175.8 | 172.5 | 3.3 | 112.6 | V458 L460 L464 G465 | V458-R462 WeakPolarHBondContact O-CG 3.27Å; V458-R462 PolarHBondContact O-N 3.38Å; L460-R462 VanDerWaalsContact C-N 3.33Å; L460-R462 PolarHBondContact O-N 3.12Å; R462-L464 PolarHBondContact O-N 2.76Å; R462-G465 PolarHBondContact O-N 3.34Å; R462-G465 VanDerWaalsContact O-N 3.12Å |
| 463 | S | 93.3 | Very high | 85 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.5 | -22 | 176.8 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | Q459 L460 D461 G465 | Q459-S463 PolarHBondContact O-N 3.11Å; Q459-S463 VanDerWaalsContact O-N 3.1Å; L460-S463 WeakPolarHBondContact O-CB 3.45Å; L460-S463 PolarHBondContact O-N 3.02Å; L460-S463 PolarHBondContact O-OG 2.83Å; D461-S463 VanDerWaalsContact C-N 3.28Å; D461-S463 PolarHBondContact O-N 2.8Å; S463-G465 VanDerWaalsContact C-N 3.34Å |
| 464 | L | 90.3 | Very high | 84.6 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 8.4 | 174.6 | -61 | 176.1 | 0 | 0 | 0 | 112.8 | L428 I437 L460 D461 R462 A468 | L428-L464 HydrophobicContact CD1-CD1 3.57Å; L428-L464 HydrophobicContact CD2-CD1 4.03Å; L428-L464 HydrophobicContact CG-CD1 4.47Å; I437-L464 HydrophobicContact CD1-CD1 4.32Å; L460-L464 HydrophobicContact CD1-CD1 3.95Å; L460-L464 HydrophobicContact CD1-CG 4.09Å; L460-L464 HydrophobicContact CG-CD1 4.14Å; L460-L464 WeakPolarHBondContact O-CG 3.35Å; L460-L464 PolarHBondContact O-N 2.81Å; L460-L464 VanDerWaalsContact O-N 3.1Å; D461-L464 CarbonylContact O-C 3.57Å; D461-L464 WeakPolarHBondContact O-CA 3.36Å; D461-L464 WeakPolarHBondContact O-CB 3.41Å; D461-L464 PolarHBondContact O-N 2.77Å; R462-L464 PolarHBondContact O-N 2.76Å; L464-A468 HydrophobicContact CD1-CB 4.31Å |
| 465 | G | 87.4 | Confident | 84.8 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 9.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D461 R462 S463 | D461-G465 PolarHBondContact O-N 2.95Å; R462-G465 PolarHBondContact O-N 3.34Å; R462-G465 VanDerWaalsContact O-N 3.12Å; S463-G465 VanDerWaalsContact C-N 3.34Å |
| 466 | G | 82.6 | Confident | 84.3 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 45% | 0.454 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 73.3 | 25.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D461 | D461-G466 WeakPolarHBondContact O-CA 3.2Å; D461-G466 PolarHBondContact O-N 2.76Å; D461-G466 VanDerWaalsContact OD1-C 3.3Å; D461-G466 VanDerWaalsContact OD1-CA 3.31Å; D461-G466 WeakPolarHBondContact OD1-CA 3.18Å |
| 467 | Q | 82.9 | Confident | 83.4 | Confident | 174 Ų | 174 | 63.2 Ų | 63.2 | 81% | 0.813 | 34% | 0.339 | S | S | * | . | trans | -115.8 | -2.9 | -175.9 | -62.4 | -174.3 | 2.3 | 0 | 0 | 113 | D461 | D461-Q467 PolarHBondContact OD1-N 2.64Š| ||
| 468 | A | 83.5 | Confident | 82.8 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -75.6 | 139.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q435 I437 D461 L464 Q470 | Q435-A468 HydrophobicContact CB-CB 4.05Å; Q435-A468 WeakPolarHBondContact O-CA 3.14Å; I437-A468 HydrophobicContact CD1-CB 3.71Å; I437-A468 HydrophobicContact CG1-CB 3.94Å; D461-A468 WeakPolarHBondContact OD1-CB 3.44Å; D461-A468 PolarHBondContact OD1-N 2.79Å; L464-A468 HydrophobicContact CD1-CB 4.31Å; A468-Q470 PolarHBondContact O-N 2.79Å |
| 469 | V | 83.2 | Confident | 82.2 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.7 | 174 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | Q435 I436 I437 I471 | Q435-V469 PolarHBondContact O-N 2.79Å; I436-V469 CarbonylContact C-O 3.54Å; I436-V469 WeakPolarHBondContact CA-O 3.38Å; I436-V469 HydrophobicContact CG1-CB 4.28Å; I437-V469 PolarHBondContact N-O 3.4Å; V469-I471 HydrophobicContact CG1-CD1 4.28Å; V469-I471 HydrophobicContact CG1-CG1 4.05Å |
| 470 | Q | 78.6 | Confident | 81.3 | Confident | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.1 | 179 | -58.9 | -179.6 | 32.1 | 0 | 0 | 110.3 | I437 T457 D461 A468 | I437-Q470 WeakPolarHBondContact O-CA 3.21Å; T457-Q470 HydrophobicContact CG2-CB 4.33Å; T457-Q470 HydrophobicContact CG2-CG 4.09Å; D461-Q470 HydrophobicContact CB-CG 4.44Å; D461-Q470 VanDerWaalsContact CB-NE2 3.33Å; D461-Q470 VanDerWaalsContact CG-NE2 3.35Å; D461-Q470 PolarHBondContact OD2-NE2 2.93Å; A468-Q470 PolarHBondContact O-N 2.79Å |
| 471 | I | 74.7 | Confident | 80.8 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121 | -179.8 | -55.3 | 178.5 | 0 | 0 | 0 | 109 | I436 I437 Y438 T439 V469 V473 | I436-I471 HydrophobicContact CG2-CD1 3.82Å; I436-I471 HydrophobicContact CG2-CG1 4.2Å; I437-I471 PolarHBondContact O-N 3.36Å; Y438-I471 CarbonylContact C-O 3.56Å; Y438-I471 VanDerWaalsContact CA-O 3.29Å; Y438-I471 WeakPolarHBondContact CA-O 3.45Å; Y438-I471 HydrophobicContact CD1-CB 3.75Å; Y438-I471 HydrophobicContact CD1-CD1 4.37Å; Y438-I471 HydrophobicContact CD1-CG2 3.9Å; Y438-I471 HydrophobicContact CE1-CB 3.86Å; Y438-I471 HydrophobicContact CE1-CD1 3.64Å; Y438-I471 HydrophobicContact CE1-CG1 4.28Å; Y438-I471 HydrophobicContact CE1-CG2 3.87Å; T439-I471 PolarHBondContact N-O 2.98Å; V469-I471 HydrophobicContact CG1-CD1 4.28Å; V469-I471 HydrophobicContact CG1-CG1 4.05Å; I471-V473 HydrophobicContact CG2-CG2 4.01Å |
| 472 | R | 77.1 | Confident | 80.6 | Confident | 173 Ų | 173 | 62 Ų | 62 | 65% | 0.653 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134.6 | 173.1 | -176.7 | -179.2 | 170.1 | -171.2 | -2.2 | 109.5 | Q441 | Q441-R472 VanDerWaalsContact CD-NE 3.32Å |
| 473 | V | 78.9 | Confident | 80.2 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.1 | -175.4 | -178.3 | 0 | 0 | 0 | 0 | 109 | Y438 T439 W440 Q441 I471 E478 P479 L482 | Y438-V473 HydrophobicContact CD1-CG2 3.79Å; Y438-V473 HydrophobicContact CE1-CG2 4.48Å; T439-V473 PolarHBondContact O-N 3.34Å; W440-V473 CarbonylContact C-O 3.6Å; W440-V473 VanDerWaalsContact CA-O 3.3Å; W440-V473 WeakPolarHBondContact CA-O 3.35Å; Q441-V473 PolarHBondContact N-O 3.43Å; I471-V473 HydrophobicContact CG2-CG2 4.01Å; V473-E478 HydrophobicContact CG1-CB 4.31Å; V473-E478 HydrophobicContact CG1-CG 4.08Å; V473-P479 HydrophobicContact CG2-CG 4.31Å; V473-L482 HydrophobicContact CB-CD2 4.41Å; V473-L482 HydrophobicContact CG1-CD2 4.02Å; V473-L482 HydrophobicContact CG2-CD2 4.19Å |
| 474 | S | 78.1 | Confident | 79.6 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 149.9 | 170.1 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | G476 K477 | S474-G476 PolarHBondContact O-N 3.44Å; S474-K477 WeakPolarHBondContact O-CA 3.37Å; S474-K477 PolarHBondContact O-N 3.17Å |
| 475 | Q | 79.7 | Confident | 79.5 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 130.8 | 172.2 | 175.1 | 172.6 | -31.3 | 0 | 0 | 111.4 | W440 Q441 A443 K477 I493 | W440-Q475 HydrophobicContact CH2-CB 3.94Å; W440-Q475 HydrophobicContact CH2-CG 4.12Å; W440-Q475 HydrophobicContact CZ2-CB 3.56Å; W440-Q475 HydrophobicContact CZ2-CG 3.76Å; Q441-Q475 PolarHBondContact O-N 3.36Å; A443-Q475 HydrophobicContact CB-CB 4.37Å; A443-Q475 HydrophobicContact CB-CG 4.45Å; Q475-K477 PolarHBondContact O-N 3.08Å; Q475-I493 HydrophobicContact CG-CD1 4.26Å; Q475-I493 HydrophobicContact CG-CG2 4.22Å |
| 476 | G | 71.4 | Confident | 79.4 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -13.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S474 E478 R524 | S474-G476 PolarHBondContact O-N 3.44Å; G476-E478 VanDerWaalsContact C-OE2 3.28Å; G476-E478 WeakPolarHBondContact CA-OE2 3.5Å; G476-E478 PolarHBondContact N-OE1 2.89Å; G476-E478 PolarHBondContact N-OE2 2.87Å; G476-R524 PolarHBondContact O-NH2 3.03Å |
| 477 | K | 73.2 | Confident | 79.4 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | trans | -106.7 | 28.8 | 177.8 | -57.6 | -60.6 | -177 | -178.8 | 0 | 112.5 | S474 Q475 E634 D639 | S474-K477 WeakPolarHBondContact O-CA 3.37Å; S474-K477 PolarHBondContact O-N 3.17Å; Q475-K477 PolarHBondContact O-N 3.08Å; K477-E634 PolarHBondContact NZ-O 3.45Å; K477-D639 WeakPolarHBondContact CE-OD1 3.48Å; K477-D639 WeakPolarHBondContact CE-OD2 3.41Å; K477-D639 IonicContact NZ-OD1 3.02Å; K477-D639 PolarHBondContact NZ-OD1 2.72Å; K477-D639 IonicContact NZ-OD2 3.75Å; K477-D639 PolarHBondContact NZ-OD2 2.9Å | ||
| 478 | E | 75.1 | Confident | 79 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | trans | -64.4 | 127.3 | 179.8 | -58.3 | 77.3 | -162 | 0 | 0 | 111.6 | W440 V473 G476 L482 L483 L491 R524 | W440-E478 PolarHBondContact NE1-OE1 3.34Å; V473-E478 HydrophobicContact CG1-CB 4.31Å; V473-E478 HydrophobicContact CG1-CG 4.08Å; G476-E478 VanDerWaalsContact C-OE2 3.28Å; G476-E478 WeakPolarHBondContact CA-OE2 3.5Å; G476-E478 PolarHBondContact N-OE1 2.89Å; G476-E478 PolarHBondContact N-OE2 2.87Å; E478-L482 HydrophobicContact CB-CD2 4Å; E478-L482 HydrophobicContact CG-CD2 3.93Å; E478-L483 HydrophobicContact CB-CD1 4.42Å; E478-L483 HydrophobicContact CB-CD2 3.63Å; E478-L483 HydrophobicContact CB-CG 3.87Å; E478-L483 HydrophobicContact CG-CD2 4.17Å; E478-L491 HydrophobicContact CG-CD2 4.09Å; E478-R524 IonicContact OE2-CZ 3.79Å; E478-R524 IonicContact OE2-NE 2.72Å; E478-R524 IonicContact OE2-NH2 3.96Å; E478-R524 PolarHBondContact OE2-NH2 3.46Å | ||
| 479 | P | 73.2 | Confident | 79.1 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | trans | -69.9 | 152.8 | 175.2 | 28.4 | -33.4 | 0 | 0 | 0 | 111 | Y438 V473 H481 L482 L483 | Y438-P479 HydrophobicContact CE1-CG 3.85Å; V473-P479 HydrophobicContact CG2-CG 4.31Å; P479-H481 PolarHBondContact O-N 3.16Å; P479-H481 VanDerWaalsContact O-N 3.08Å; P479-L482 HydrophobicContact CG-CB 3.82Å; P479-L482 WeakPolarHBondContact O-CB 3.48Å; P479-L482 PolarHBondContact O-N 3.26Å; P479-L483 PolarHBondContact O-N 3.13Å; P479-L483 VanDerWaalsContact O-N 3.15Å | ||
| 480 | I | 71.8 | Confident | 79.3 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 44% | 0.441 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -50.8 | -40.2 | -178.9 | -57.2 | 178.9 | 0 | 0 | 0 | 111.6 | M390 L483 S484 A520 | M390-I480 HydrophobicContact SD-CB 4.15Å; M390-I480 HydrophobicContact SD-CG2 3.73Å; I480-L483 PolarHBondContact O-N 3.31Å; I480-S484 PolarHBondContact O-N 2.78Å; I480-A520 HydrophobicContact CD1-CB 4.21Å; I480-A520 HydrophobicContact CG1-CB 3.92Å; I480-A520 HydrophobicContact CG2-CB 4.5Å |
| 481 | H | 82.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 178.2 | -176.1 | -97.6 | 0 | 0 | 0 | 113.4 | M390 V391 D392 Y429 Y438 P479 L483 S484 L485 | M390-H481 WeakPolarHBondContact SD-CA 3.31Å; M390-H481 HydrophobicContact SD-CB 3.67Å; M390-H481 PolarHBondContact SD-N 2.77Å; M390-H481 VanDerWaalsContact SD-N 3.41Å; V391-H481 VanDerWaalsContact CG2-CE1 3.48Å; V391-H481 WeakPolarHBondContact CG2-CE1 3.27Å; V391-H481 WeakPolarHBondContact CG2-NE2 3.35Å; D392-H481 IonicContact OD1-CD2 2.69Å; D392-H481 IonicContact OD1-NE2 3.97Å; D392-H481 PolarHBondContact OD1-NE2 3.32Å; Y429-H481 AromaticContact CD1-CE1 3.58Å; Y429-H481 AromaticContact CE1-CE1 3.53Å; Y429-H481 AromaticContact CE1-NE2 3.63Å; Y438-H481 AromaticContact CE2-ND1 3.88Å; Y438-H481 AromaticContact CZ-ND1 3.69Å; Y438-H481 PolarHBondContact OH-ND1 3.17Å; P479-H481 PolarHBondContact O-N 3.16Å; P479-H481 VanDerWaalsContact O-N 3.08Å; H481-L483 VanDerWaalsContact C-N 3.29Å; H481-L483 PolarHBondContact O-N 3.32Å; H481-S484 PolarHBondContact O-N 3.36Å; H481-S484 PolarHBondContact O-OG 3.22Å; H481-L485 PolarHBondContact O-N 2.92Å |
| 482 | L | 84.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 175.4 | 171.9 | 58.7 | 0 | 0 | 0 | 110.6 | I427 Y438 V473 E478 P479 S484 L485 F486 | I427-L482 HydrophobicContact CD1-CD1 3.57Å; Y438-L482 HydrophobicContact CD1-CB 4.31Å; Y438-L482 HydrophobicContact CD1-CD2 4.41Å; Y438-L482 HydrophobicContact CD2-CD1 4.03Å; Y438-L482 HydrophobicContact CE1-CB 4.09Å; Y438-L482 HydrophobicContact CE2-CB 4.45Å; Y438-L482 HydrophobicContact CE2-CD1 4.48Å; Y438-L482 HydrophobicContact CG-CD1 4.08Å; V473-L482 HydrophobicContact CB-CD2 4.41Å; V473-L482 HydrophobicContact CG1-CD2 4.02Å; V473-L482 HydrophobicContact CG2-CD2 4.19Å; E478-L482 HydrophobicContact CB-CD2 4Å; E478-L482 HydrophobicContact CG-CD2 3.93Å; P479-L482 HydrophobicContact CG-CB 3.82Å; P479-L482 WeakPolarHBondContact O-CB 3.48Å; P479-L482 PolarHBondContact O-N 3.26Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.09Å; L482-L485 HydrophobicContact CD1-CD1 3.92Å; L482-L485 VanDerWaalsContact O-CB 3.31Å; L482-L485 WeakPolarHBondContact O-CB 3.35Å; L482-L485 VanDerWaalsContact O-CG 3.32Å; L482-L485 WeakPolarHBondContact O-CG 3.43Å; L482-L485 PolarHBondContact O-N 2.9Å; L482-F486 HydrophobicContact CD1-CE2 4.3Å; L482-F486 HydrophobicContact CD1-CZ 4.33Å; L482-F486 WeakPolarHBondContact O-CE2 3.3Å |
| 483 | L | 81.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 178.7 | -60.5 | 175.5 | 0 | 0 | 0 | 111.7 | E478 P479 I480 H481 L485 F486 L491 I522 | E478-L483 HydrophobicContact CB-CD1 4.42Å; E478-L483 HydrophobicContact CB-CD2 3.63Å; E478-L483 HydrophobicContact CB-CG 3.87Å; E478-L483 HydrophobicContact CG-CD2 4.17Å; P479-L483 PolarHBondContact O-N 3.13Å; P479-L483 VanDerWaalsContact O-N 3.15Å; I480-L483 PolarHBondContact O-N 3.31Å; H481-L483 VanDerWaalsContact C-N 3.29Å; H481-L483 PolarHBondContact O-N 3.32Å; L483-L485 PolarHBondContact O-N 2.87Å; L483-L485 VanDerWaalsContact O-N 3.16Å; L483-F486 WeakPolarHBondContact O-CD2 3.09Å; L483-F486 PolarHBondContact O-N 3.3Å; L483-L491 HydrophobicContact CD2-CB 4.47Å; L483-L491 HydrophobicContact CD2-CD2 3.75Å; L483-I522 HydrophobicContact CB-CD1 3.41Å; L483-I522 VanDerWaalsContact CB-CD1 3.41Å |
| 484 | S | 81.3 | Confident | 81.9 | Confident | 17 Ų | 17 | 34 Ų | 34 | 12% | 0.119 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -19.5 | 177.8 | 78.9 | 0 | 0 | 0 | 0 | 114.6 | M390 I480 H481 L482 F486 K487 | M390-S484 WeakPolarHBondContact CE-OG 3.01Å; I480-S484 PolarHBondContact O-N 2.78Å; H481-S484 PolarHBondContact O-N 3.36Å; H481-S484 PolarHBondContact O-OG 3.22Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.09Å; S484-F486 PolarHBondContact O-N 2.86Å; S484-K487 PolarHBondContact O-N 2.58Å; S484-K487 VanDerWaalsContact O-N 3.11Å |
| 485 | L | 87.4 | Confident | 82.1 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.3 | 177.4 | -56.2 | -170.1 | 0 | 0 | 0 | 112.2 | V398 I427 Y429 Y438 H481 L482 L483 | V398-L485 HydrophobicContact CG2-CB 4.18Å; V398-L485 HydrophobicContact CG2-CD1 4.44Å; V398-L485 HydrophobicContact CG2-CD2 4.46Å; I427-L485 HydrophobicContact CG2-CD1 4.02Å; Y429-L485 HydrophobicContact CD1-CD2 4.34Å; Y429-L485 HydrophobicContact CD2-CD1 4.28Å; Y429-L485 HydrophobicContact CD2-CD2 3.48Å; Y429-L485 VanDerWaalsContact CD2-CD2 3.48Å; Y429-L485 HydrophobicContact CE1-CD2 4.32Å; Y429-L485 HydrophobicContact CE2-CD2 3.46Å; Y429-L485 VanDerWaalsContact CE2-CD2 3.46Å; Y429-L485 HydrophobicContact CG-CD1 4.42Å; Y429-L485 HydrophobicContact CG-CD2 3.91Å; Y438-L485 HydrophobicContact CD2-CD1 4.35Å; Y438-L485 HydrophobicContact CE2-CD1 4.26Å; H481-L485 PolarHBondContact O-N 2.92Å; L482-L485 HydrophobicContact CD1-CD1 3.92Å; L482-L485 VanDerWaalsContact O-CB 3.31Å; L482-L485 WeakPolarHBondContact O-CB 3.35Å; L482-L485 VanDerWaalsContact O-CG 3.32Å; L482-L485 WeakPolarHBondContact O-CG 3.43Å; L482-L485 PolarHBondContact O-N 2.9Å; L483-L485 PolarHBondContact O-N 2.87Å; L483-L485 VanDerWaalsContact O-N 3.16Å |
| 486 | F | 85.8 | Confident | 81.7 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2.9 | -179.9 | -48 | -64.3 | 0 | 0 | 0 | 113 | I400 F419 L482 L483 S484 D488 K489 L491 | I400-F486 HydrophobicContact CD1-CE1 3.91Å; I400-F486 HydrophobicContact CD1-CZ 4.49Å; F419-F486 HydrophobicContact CE2-CE1 4.15Å; F419-F486 HydrophobicContact CE2-CE2 4.06Å; F419-F486 AromaticContact CE2-CZ 3.55Å; F419-F486 HydrophobicContact CE2-CZ 3.55Å; F419-F486 HydrophobicContact CZ-CE1 4.25Å; F419-F486 HydrophobicContact CZ-CE2 4.48Å; F419-F486 AromaticContact CZ-CZ 3.65Å; F419-F486 HydrophobicContact CZ-CZ 3.65Å; L482-F486 HydrophobicContact CD1-CE2 4.3Å; L482-F486 HydrophobicContact CD1-CZ 4.33Å; L482-F486 WeakPolarHBondContact O-CE2 3.3Å; L483-F486 WeakPolarHBondContact O-CD2 3.09Å; L483-F486 PolarHBondContact O-N 3.3Å; S484-F486 PolarHBondContact O-N 2.86Å; F486-D488 PolarHBondContact O-N 2.65Å; F486-K489 HydrophobicContact CB-CB 4.38Å; F486-K489 VanDerWaalsContact O-CB 3.27Å; F486-K489 WeakPolarHBondContact O-CB 3.46Å; F486-K489 PolarHBondContact O-N 2.8Å; F486-L491 HydrophobicContact CD2-CD1 4.26Å; F486-L491 HydrophobicContact CE2-CD1 4.01Å |
| 487 | K | 82 | Confident | 81.7 | Confident | 91 Ų | 91 | 36.7 Ų | 36.7 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -129.4 | -179.8 | -53.5 | -59.7 | 176.7 | -175.9 | 0 | 110.6 | D393 G394 S484 K489 | D393-K487 PolarHBondContact O-NZ 2.7Å; G394-K487 VanDerWaalsContact O-CE 3.24Å; G394-K487 WeakPolarHBondContact O-CE 3.3Å; G394-K487 PolarHBondContact O-NZ 2.77Å; S484-K487 PolarHBondContact O-N 2.58Å; S484-K487 VanDerWaalsContact O-N 3.11Å; K487-K489 PolarHBondContact O-N 3.08Å |
| 488 | D | 75.9 | Confident | 81.8 | Confident | 166 Ų | 166 | 34.6 Ų | 34.6 | 89% | 0.888 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | 0.6 | 180 | -53.6 | -43.6 | 0 | 0 | 0 | 112.8 | F486 | F486-D488 PolarHBondContact O-N 2.65Š|
| 489 | K | 84.9 | Confident | 81.7 | Confident | 83 Ų | 83 | 35.6 Ų | 35.6 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -74.3 | 130.7 | 178 | -65.4 | -175.5 | 174 | -172.1 | 0 | 110.1 | F486 K487 | F486-K489 HydrophobicContact CB-CB 4.38Å; F486-K489 VanDerWaalsContact O-CB 3.27Å; F486-K489 WeakPolarHBondContact O-CB 3.46Å; F486-K489 PolarHBondContact O-N 2.8Å; K487-K489 PolarHBondContact O-N 3.08Å |
| 490 | P | 87.2 | Confident | 82 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 8% | 0.078 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 147.9 | 169.3 | -24.4 | 34.5 | 0 | 0 | 0 | 112 | T523 I525 Y568 | P490-T523 VanDerWaalsContact CA-O 3.26Å; P490-T523 WeakPolarHBondContact CA-O 3.44Å; P490-T523 WeakPolarHBondContact CB-O 3.41Å; P490-I525 HydrophobicContact CB-CD1 3.6Å; P490-I525 HydrophobicContact CB-CG1 4Å; P490-I525 HydrophobicContact CG-CD1 4.11Å; P490-Y568 HydrophobicContact CB-CD1 4.26Å; P490-Y568 HydrophobicContact CG-CD1 3.76Å; P490-Y568 HydrophobicContact CG-CE1 4.28Å; P490-Y568 HydrophobicContact CG-CG 3.95Å |
| 491 | L | 89.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 116.3 | 168.9 | -175.5 | 72.2 | 0 | 0 | 0 | 108.5 | F419 E478 L483 F486 I493 T523 I525 | F419-L491 HydrophobicContact CD2-CD1 3.4Å; F419-L491 VanDerWaalsContact CD2-CD1 3.4Å; F419-L491 HydrophobicContact CD2-CG 4.49Å; F419-L491 HydrophobicContact CE2-CD1 3.48Å; F419-L491 VanDerWaalsContact CE2-CD1 3.48Å; E478-L491 HydrophobicContact CG-CD2 4.09Å; L483-L491 HydrophobicContact CD2-CB 4.47Å; L483-L491 HydrophobicContact CD2-CD2 3.75Å; F486-L491 HydrophobicContact CD2-CD1 4.26Å; F486-L491 HydrophobicContact CE2-CD1 4.01Å; L491-I493 HydrophobicContact CD2-CD1 3.96Å; L491-I493 HydrophobicContact CD2-CG1 4.23Å; L491-I493 HydrophobicContact CG-CD1 4.42Å; L491-I493 HydrophobicContact CG-CG1 4.15Å; L491-T523 PolarHBondContact N-O 3.21Å; L491-T523 VanDerWaalsContact N-O 3.1Å; L491-I525 PolarHBondContact O-N 3.32Å |
| 492 | I | 92.6 | Very high | 80.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.2 | 175.7 | -55.8 | 175.8 | 0 | 0 | 0 | 108.9 | G417 E418 F419 Y494 I525 Y568 V569 V572 | G417-I492 PolarHBondContact O-N 3.06Å; E418-I492 WeakPolarHBondContact CA-O 3.13Å; E418-I492 HydrophobicContact CG-CB 4.23Å; E418-I492 HydrophobicContact CG-CD1 4.21Å; F419-I492 PolarHBondContact N-O 2.78Å; I492-Y494 HydrophobicContact CG2-CD1 4.3Å; I492-Y494 HydrophobicContact CG2-CE1 3.77Å; I492-Y494 HydrophobicContact CG2-CE2 4.14Å; I492-I525 CarbonylContact C-O 3.57Å; I492-I525 WeakPolarHBondContact CA-O 3.5Å; I492-I525 HydrophobicContact CG1-CB 4.16Å; I492-I525 HydrophobicContact CG1-CD1 4.26Å; I492-I525 HydrophobicContact CG2-CG2 4.5Å; I492-Y568 HydrophobicContact CD1-CD1 4.14Å; I492-Y568 HydrophobicContact CD1-CE1 3.8Å; I492-Y568 HydrophobicContact CG1-CE1 4.49Å; I492-V569 HydrophobicContact CD1-CG2 4.28Å; I492-V572 HydrophobicContact CD1-CB 4.44Å; I492-V572 HydrophobicContact CD1-CG1 4.3Å; I492-V572 HydrophobicContact CD1-CG2 4.13Å |
| 493 | I | 90.9 | Very high | 79.5 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 113.4 | 177.8 | -53.2 | 176.7 | 0 | 0 | 0 | 108.4 | F419 W440 Q475 L491 I525 V526 E527 | F419-I493 CarbonylContact O-C 3.53Å; F419-I493 WeakPolarHBondContact O-CA 3.27Å; W440-I493 HydrophobicContact CH2-CG2 4.48Å; W440-I493 HydrophobicContact CZ2-CD1 4.48Å; Q475-I493 HydrophobicContact CG-CD1 4.26Å; Q475-I493 HydrophobicContact CG-CG2 4.22Å; L491-I493 HydrophobicContact CD2-CD1 3.96Å; L491-I493 HydrophobicContact CD2-CG1 4.23Å; L491-I493 HydrophobicContact CG-CD1 4.42Å; L491-I493 HydrophobicContact CG-CG1 4.15Å; I493-I525 PolarHBondContact N-O 2.94Å; I493-V526 HydrophobicContact CB-CG1 4.44Å; I493-V526 HydrophobicContact CB-CG2 4.34Å; I493-V526 HydrophobicContact CD1-CG2 4.34Å; I493-V526 WeakPolarHBondContact O-CA 3.4Å; I493-E527 PolarHBondContact O-N 3.02Å |
| 494 | Y | 90.9 | Very high | 78.4 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126.9 | 172.4 | -57.8 | -64.3 | 0 | 0 | 0 | 109.4 | E418 F419 Y420 G421 I492 N496 F513 E527 | E418-Y494 HydrophobicContact CB-CE2 4.11Å; E418-Y494 HydrophobicContact CG-CE2 4.48Å; F419-Y494 WeakPolarHBondContact O-CD2 3.31Å; F419-Y494 PolarHBondContact O-N 3.27Å; Y420-Y494 AromaticContact CD1-CD2 3.87Å; Y420-Y494 HydrophobicContact CD1-CD2 3.87Å; Y420-Y494 HydrophobicContact CD1-CG 4.12Å; Y420-Y494 AromaticContact CD2-CD2 3.88Å; Y420-Y494 HydrophobicContact CD2-CD2 3.88Å; Y420-Y494 AromaticContact CE1-CD2 3.58Å; Y420-Y494 HydrophobicContact CE1-CD2 3.58Å; Y420-Y494 HydrophobicContact CE1-CE2 4.33Å; Y420-Y494 AromaticContact CE1-CG 3.94Å; Y420-Y494 HydrophobicContact CE1-CG 3.94Å; Y420-Y494 AromaticContact CE2-CD2 3.58Å; Y420-Y494 HydrophobicContact CE2-CD2 3.58Å; Y420-Y494 AromaticContact CE2-CE2 3.92Å; Y420-Y494 HydrophobicContact CE2-CE2 3.92Å; Y420-Y494 HydrophobicContact CG-CD2 4.03Å; Y420-Y494 AromaticContact CZ-CD2 3.43Å; Y420-Y494 VanDerWaalsContact CZ-CD2 3.43Å; Y420-Y494 AromaticContact CZ-CE2 3.79Å; G421-Y494 PolarHBondContact N-O 3Å; I492-Y494 HydrophobicContact CG2-CD1 4.3Å; I492-Y494 HydrophobicContact CG2-CE1 3.77Å; I492-Y494 HydrophobicContact CG2-CE2 4.14Å; Y494-N496 PolarHBondContact O-N 3.38Å; Y494-F513 AromaticContact CD1-CE1 3.75Å; Y494-F513 HydrophobicContact CD1-CE1 3.75Å; Y494-F513 HydrophobicContact CD1-CZ 4.09Å; Y494-F513 AromaticContact CE1-CE1 3.7Å; Y494-F513 HydrophobicContact CE1-CE1 3.7Å; Y494-F513 AromaticContact CE1-CZ 3.92Å; Y494-F513 HydrophobicContact CE1-CZ 3.92Å; Y494-E527 WeakPolarHBondContact CA-OE2 3.48Å |
| 495 | K | 81.7 | Confident | 77.5 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -58.3 | -51 | -173.6 | -177.4 | 176.7 | 177.2 | 178.7 | 0 | 110.7 | E527 D529 D711 | K495-E527 HydrophobicContact CB-CB 4.08Å; K495-E527 HydrophobicContact CB-CG 4.2Å; K495-E527 WeakPolarHBondContact CB-O 3.14Å; K495-E527 PolarHBondContact N-OE2 3Å; K495-D529 IonicContact NZ-OD1 3.06Å; K495-D529 PolarHBondContact NZ-OD1 2.9Å; K495-D529 IonicContact NZ-OD2 2.64Å; K495-D529 PolarHBondContact NZ-OD2 2.85Å; K495-D711 VanDerWaalsContact CE-OD1 3.28Å; K495-D711 WeakPolarHBondContact CE-OD1 3.13Å; K495-D711 WeakPolarHBondContact CE-OD2 3.41Å; K495-D711 IonicContact NZ-OD1 3.46Å; K495-D711 PolarHBondContact NZ-OD1 3Å; K495-D711 IonicContact NZ-OD2 2.69Å |
| 496 | N | 71.4 | Confident | 76.8 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -118.7 | 166.2 | -174.4 | -73.8 | -45.1 | 0 | 0 | 0 | 111.5 | Y494 | Y494-N496 PolarHBondContact O-N 3.38Š|
| 497 | G | 71.8 | Confident | 76.3 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | trans | 87.6 | -165.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G422 | G422-G497 WeakPolarHBondContact CA-O 3.37Å; G422-G497 PolarHBondContact N-O 2.9Å | ||
| 498 | T | 75 | Confident | 76.5 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 17% | 0.166 | 41% | 0.405 | C | S | . | . | trans | -147.1 | 163.7 | -173 | 166.7 | 0 | 0 | 0 | 0 | 107.2 | D423 K500 Q504 | D423-T498 VanDerWaalsContact CG-OG1 3.24Å; D423-T498 WeakPolarHBondContact OD1-CB 3.45Å; D423-T498 PolarHBondContact OD1-OG1 2.94Å; D423-T498 WeakPolarHBondContact OD2-CA 3.42Å; D423-T498 PolarHBondContact OD2-OG1 2.89Å; D423-T498 VanDerWaalsContact OD2-OG1 3.09Å; T498-K500 HydrophobicContact CG2-CB 4.07Å; T498-K500 HydrophobicContact CG2-CD 4.15Å; T498-K500 HydrophobicContact CG2-CG 4.41Å; T498-K500 WeakPolarHBondContact OG1-CB 3.28Å; T498-K500 VanDerWaalsContact OG1-CD 3.23Å; T498-K500 WeakPolarHBondContact OG1-CD 3.31Å; T498-K500 WeakPolarHBondContact OG1-CE 3.13Å; T498-K500 WeakPolarHBondContact OG1-CG 3.35Å; T498-K500 PolarHBondContact OG1-N 2.65Å; T498-Q504 HydrophobicContact CG2-CG 4Å; T498-Q504 VanDerWaalsContact CG2-NE2 3.32Å; T498-Q504 PolarHBondContact O-NE2 3.48Å | ||
| 499 | S | 74.4 | Confident | 77 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | trans | -92.4 | 4.5 | 167.7 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | R402 D423 Y425 | R402-S499 WeakPolarHBondContact CD-OG 3.44Å; R402-S499 VanDerWaalsContact CZ-C 3.42Å; R402-S499 PolarHBondContact NH1-O 2.89Å; R402-S499 PolarHBondContact NH1-OG 3.05Å; D423-S499 PolarHBondContact OD2-N 3.18Å; D423-S499 PolarHBondContact OD2-OG 2.86Å; Y425-S499 PolarHBondContact OH-OG 3.42Å | ||
| 500 | K | 79.1 | Confident | 77.4 | Confident | 59 Ų | 59 | 58 Ų | 58 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | trans | -52.8 | 137.6 | -179.9 | -74.8 | 165 | -161.9 | 168.5 | 0 | 114.6 | R402 E404 D423 E449 T498 G502 Q504 | R402-K500 VanDerWaalsContact CZ-CA 3.46Å; E404-K500 HydrophobicContact CG-CD 4.46Å; E404-K500 HydrophobicContact CG-CG 4.1Å; E404-K500 WeakPolarHBondContact OE1-CG 3.25Å; D423-K500 IonicContact OD1-NZ 3.69Å; E449-K500 WeakPolarHBondContact OE1-CE 3.45Å; E449-K500 IonicContact OE1-NZ 3.26Å; E449-K500 PolarHBondContact OE1-NZ 2.76Å; T498-K500 HydrophobicContact CG2-CB 4.07Å; T498-K500 HydrophobicContact CG2-CD 4.15Å; T498-K500 HydrophobicContact CG2-CG 4.41Å; T498-K500 WeakPolarHBondContact OG1-CB 3.28Å; T498-K500 VanDerWaalsContact OG1-CD 3.23Å; T498-K500 WeakPolarHBondContact OG1-CD 3.31Å; T498-K500 WeakPolarHBondContact OG1-CE 3.13Å; T498-K500 WeakPolarHBondContact OG1-CG 3.35Å; T498-K500 PolarHBondContact OG1-N 2.65Å; K500-G502 PolarHBondContact O-N 2.75Å; K500-Q504 VanDerWaalsContact O-CD 3.24Å; K500-Q504 PolarHBondContact O-NE2 2.85Å | ||
| 501 | K | 69.4 | Low | 77.8 | Confident | 210 Ų | 210 | 58.7 Ų | 58.7 | 91% | 0.913 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -79.2 | 107.1 | 174.8 | -71.6 | -174.8 | 178.2 | 178.4 | 0 | 110.1 | ||
| 502 | G | 61.3 | Low | 78.1 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 65% | 0.649 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 99.8 | 147.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K500 | K500-G502 PolarHBondContact O-N 2.75Š|
| 503 | G | 54.9 | Low | 78.3 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 95% | 0.948 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 82.7 | 5.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 504 | Q | 59.7 | Low | 78.5 | Confident | 92 Ų | 92 | 58.7 Ų | 58.7 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 132.9 | -179.2 | -61.6 | -177.5 | -8.5 | 0 | 0 | 111.6 | T498 K500 | T498-Q504 HydrophobicContact CG2-CG 4Å; T498-Q504 VanDerWaalsContact CG2-NE2 3.32Å; T498-Q504 PolarHBondContact O-NE2 3.48Å; K500-Q504 VanDerWaalsContact O-CD 3.24Å; K500-Q504 PolarHBondContact O-NE2 2.85Å |
| 505 | A | 62.9 | Low | 78.6 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 141.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | A507 | A505-A507 PolarHBondContact O-N 3.03Š|
| 506 | P | 70.8 | Confident | 78.8 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 78% | 0.779 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 142.9 | 172.7 | -16.7 | 26.6 | 0 | 0 | 0 | 109.5 | ||
| 507 | A | 76.6 | Confident | 79.1 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 53% | 0.529 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 138 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A505 | A505-A507 PolarHBondContact O-N 3.03Š|
| 508 | P | 85.3 | Confident | 78.7 | Confident | 80 Ų | 80 | 58 Ų | 58 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 140.4 | 177.6 | -27.7 | 35.3 | 0 | 0 | 0 | 110.8 | T510 R511 | P508-T510 WeakPolarHBondContact CB-O 3.33Å; P508-T510 PolarHBondContact O-N 2.88Å; P508-R511 HydrophobicContact CB-CG 4.48Å; P508-R511 WeakPolarHBondContact O-CD 3.47Å; P508-R511 VanDerWaalsContact O-CG 3.24Å; P508-R511 WeakPolarHBondContact O-CG 3.48Å |
| 509 | P | 87.6 | Confident | 77.4 | Confident | 83 Ų | 83 | 64 Ų | 64 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -64.9 | -31.3 | -177.6 | 26.3 | -34.2 | 0 | 0 | 0 | 111.8 | K544 L545 P546 | P509-K544 PolarHBondContact O-NZ 3.23Å; P509-L545 CarbonylContact O-C 3.46Å; P509-P546 HydrophobicContact CB-CB 4.43Å; P509-P546 HydrophobicContact CB-CG 4.22Å |
| 510 | T | 93.6 | Very high | 76.1 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -102.8 | 129 | 173.7 | -48.8 | 0 | 0 | 0 | 0 | 109.8 | P508 V530 L543 K544 L545 | P508-T510 WeakPolarHBondContact CB-O 3.33Å; P508-T510 PolarHBondContact O-N 2.88Å; T510-V530 HydrophobicContact CG2-CG1 3.57Å; T510-V530 HydrophobicContact CG2-CG2 4.33Å; T510-L543 HydrophobicContact CG2-CD1 3.91Å; T510-K544 CarbonylContact C-O 3.52Å; T510-K544 WeakPolarHBondContact CA-O 3.33Å; T510-K544 WeakPolarHBondContact CG2-O 3.45Å; T510-L545 HydrophobicContact CG2-CD2 4.15Å |
| 511 | R | 94.6 | Very high | 75.1 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 10% | 0.102 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 142.9 | -177.4 | -56.5 | 175.3 | 72.8 | -171.5 | 6.5 | 109.6 | P508 F513 E527 K544 | P508-R511 HydrophobicContact CB-CG 4.48Å; P508-R511 WeakPolarHBondContact O-CD 3.47Å; P508-R511 VanDerWaalsContact O-CG 3.24Å; P508-R511 WeakPolarHBondContact O-CG 3.48Å; R511-F513 HydrophobicContact CB-CD2 4.47Å; R511-F513 HydrophobicContact CB-CE2 3.71Å; R511-F513 HydrophobicContact CB-CZ 4.4Å; R511-E527 IonicContact CZ-OE1 3.52Å; R511-E527 VanDerWaalsContact CZ-OE1 3.26Å; R511-E527 IonicContact CZ-OE2 3.57Å; R511-E527 IonicContact NE-OE1 2.63Å; R511-E527 PolarHBondContact NE-OE1 2.66Å; R511-E527 IonicContact NE-OE2 3.67Å; R511-E527 IonicContact NH2-OE1 3.91Å; R511-E527 PolarHBondContact NH2-OE1 2.74Å; R511-E527 IonicContact NH2-OE2 2.62Å; R511-E527 PolarHBondContact NH2-OE2 3.26Å; R511-K544 HydrophobicContact CB-CB 4.41Å; R511-K544 PolarHBondContact N-O 2.93Å; R511-K544 PolarHBondContact O-N 3.48Å |
| 512 | L | 96.1 | Very high | 75.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.4 | 177.5 | -174.5 | 63.2 | 0 | 0 | 0 | 109.5 | E527 V528 D529 V530 L535 F541 V542 L543 L593 | L512-E527 CarbonylContact O-C 3.6Å; L512-E527 WeakPolarHBondContact O-CA 3.37Å; L512-V528 HydrophobicContact CB-CG2 3.96Å; L512-V528 HydrophobicContact CD2-CG2 3.76Å; L512-V528 HydrophobicContact CG-CG2 3.65Å; L512-V528 PolarHBondContact O-N 3.05Å; L512-D529 WeakPolarHBondContact CD2-O 3.4Å; L512-V530 HydrophobicContact CB-CG2 4.25Å; L512-L535 HydrophobicContact CD2-CD2 4.48Å; L512-F541 HydrophobicContact CD1-CB 4.13Å; L512-F541 HydrophobicContact CD1-CD1 4.05Å; L512-F541 HydrophobicContact CD2-CD1 4.21Å; L512-F541 HydrophobicContact CG-CD1 4.04Å; L512-V542 WeakPolarHBondContact CA-O 3.45Å; L512-L543 HydrophobicContact CB-CD1 4.49Å; L512-L543 HydrophobicContact CD1-CB 3.94Å; L512-L543 HydrophobicContact CD1-CD1 4.22Å; L512-L593 HydrophobicContact CD1-CD2 4.47Å; L512-L593 HydrophobicContact CD2-CD2 4Å |
| 513 | F | 96.3 | Very high | 76.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.7 | 177.9 | -65.7 | -95.8 | 0 | 0 | 0 | 110.2 | Y494 R511 I525 V526 E527 F541 V542 V569 L573 | Y494-F513 AromaticContact CD1-CE1 3.75Å; Y494-F513 HydrophobicContact CD1-CE1 3.75Å; Y494-F513 HydrophobicContact CD1-CZ 4.09Å; Y494-F513 AromaticContact CE1-CE1 3.7Å; Y494-F513 HydrophobicContact CE1-CE1 3.7Å; Y494-F513 AromaticContact CE1-CZ 3.92Å; Y494-F513 HydrophobicContact CE1-CZ 3.92Å; R511-F513 HydrophobicContact CB-CD2 4.47Å; R511-F513 HydrophobicContact CB-CE2 3.71Å; R511-F513 HydrophobicContact CB-CZ 4.4Å; F513-I525 HydrophobicContact CB-CG2 4.09Å; F513-I525 HydrophobicContact CD1-CG2 3.99Å; F513-I525 HydrophobicContact CG-CG2 4.41Å; F513-V526 CarbonylContact C-O 3.54Å; F513-V526 WeakPolarHBondContact CA-O 3.21Å; F513-E527 HydrophobicContact CD1-CB 3.85Å; F513-E527 HydrophobicContact CE1-CB 3.66Å; F513-E527 HydrophobicContact CE1-CG 4.15Å; F513-E527 HydrophobicContact CZ-CB 4.27Å; F513-E527 HydrophobicContact CZ-CG 4.27Å; F513-F541 CarbonylContact O-C 3.51Å; F513-F541 WeakPolarHBondContact O-CA 3.32Å; F513-V542 HydrophobicContact CB-CB 4.27Å; F513-V542 PolarHBondContact N-O 3.27Å; F513-V542 PolarHBondContact O-N 2.81Å; F513-V569 HydrophobicContact CD1-CG2 4.23Å; F513-V569 HydrophobicContact CE1-CG2 4.42Å; F513-V569 HydrophobicContact CG-CG2 4.36Å; F513-L573 HydrophobicContact CD2-CD1 3.85Å; F513-L573 HydrophobicContact CE2-CD1 3.42Å; F513-L573 VanDerWaalsContact CE2-CD1 3.42Å; F513-L573 HydrophobicContact CE2-CD2 4.22Å; F513-L573 HydrophobicContact CE2-CG 4.43Å; F513-L573 HydrophobicContact CZ-CD1 3.98Å; F513-L573 HydrophobicContact CZ-CD2 4.06Å |
| 514 | Q | 94.8 | Very high | 77.5 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.8 | 169 | -175.6 | 176.1 | 21.5 | 0 | 0 | 109.1 | I525 V526 V528 D539 F541 L708 G709 | Q514-I525 CarbonylContact O-C 3.51Å; Q514-I525 WeakPolarHBondContact O-CA 3.01Å; Q514-V526 PolarHBondContact N-O 2.86Å; Q514-V526 PolarHBondContact O-N 2.79Å; Q514-V528 HydrophobicContact CB-CG1 4.06Å; Q514-D539 HydrophobicContact CG-CB 4.36Å; Q514-D539 PolarHBondContact NE2-OD2 3.14Å; Q514-F541 HydrophobicContact CB-CD1 4.06Å; Q514-F541 HydrophobicContact CB-CE1 3.52Å; Q514-F541 HydrophobicContact CB-CZ 3.92Å; Q514-F541 HydrophobicContact CG-CE1 3.74Å; Q514-F541 HydrophobicContact CG-CE2 4.22Å; Q514-F541 HydrophobicContact CG-CZ 3.56Å; Q514-L708 HydrophobicContact CG-CD1 4.13Å; Q514-G709 VanDerWaalsContact OE1-N 3.12Å |
| 515 | V | 93.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 110.3 | 179.9 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | T523 R524 I525 V540 V542 E562 A566 V569 | V515-T523 HydrophobicContact CG1-CG2 3.39Å; V515-R524 WeakPolarHBondContact CA-O 3.45Å; V515-I525 HydrophobicContact CG1-CG1 4.1Å; V515-I525 HydrophobicContact CG2-CG1 4.21Å; V515-I525 HydrophobicContact CG2-CG2 4.17Å; V515-V540 WeakPolarHBondContact CA-O 3.45Å; V515-V540 HydrophobicContact CB-CB 4.26Å; V515-V540 VanDerWaalsContact CB-O 3.25Å; V515-V540 WeakPolarHBondContact CB-O 3.16Å; V515-V540 PolarHBondContact N-O 3.06Å; V515-V540 PolarHBondContact O-N 2.92Å; V515-V542 HydrophobicContact CG2-CG2 4.29Å; V515-E562 HydrophobicContact CG1-CB 4.21Å; V515-E562 VanDerWaalsContact CG1-O 3.23Å; V515-E562 WeakPolarHBondContact CG1-O 3.26Å; V515-A566 HydrophobicContact CG2-CB 4.12Å; V515-V569 HydrophobicContact CG2-CG1 4.44Å |
| 516 | R | 86.6 | Confident | 80.4 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 11% | 0.106 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.5 | -176.5 | -176 | 173.5 | -73.1 | 178.7 | -3.2 | 111.3 | R524 N536 D539 E562 G705 L708 | R516-R524 PolarHBondContact N-O 3.23Å; R516-R524 PolarHBondContact O-N 3Å; R516-N536 PolarHBondContact NH2-ND2 3.16Å; R516-D539 IonicContact CZ-OD1 2.85Å; R516-D539 IonicContact CZ-OD2 3.99Å; R516-D539 IonicContact NE-OD1 2.7Å; R516-D539 PolarHBondContact NE-OD1 2.95Å; R516-D539 IonicContact NE-OD2 3.52Å; R516-D539 PolarHBondContact NE-OD2 3.1Å; R516-D539 IonicContact NH2-OD1 2.77Å; R516-D539 PolarHBondContact NH2-OD1 3.36Å; R516-D539 IonicContact NH2-OD2 3.48Å; R516-D539 PolarHBondContact NH2-OD2 3.02Å; R516-E562 WeakPolarHBondContact CA-OE1 3.49Å; R516-G705 PolarHBondContact NH2-O 3.44Å; R516-L708 HydrophobicContact CB-CD1 3.84Å |
| 517 | R | 77.5 | Confident | 81.5 | Confident | 101 Ų | 101 | 37.8 Ų | 37.8 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131 | 171.5 | 178.3 | 177.4 | 174.5 | -179.1 | -2.9 | 110.1 | E561 E562 | R517-E561 IonicContact CZ-OE2 3.2Å; R517-E561 VanDerWaalsContact NH1-CD 3.26Å; R517-E561 IonicContact NH1-OE1 3.14Å; R517-E561 IonicContact NH1-OE2 2.63Å; R517-E561 PolarHBondContact NH1-OE2 3.08Å; R517-E562 HydrophobicContact CB-CG 3.87Å; R517-E562 PolarHBondContact N-OE1 3.21Å |
| 518 | N | 63.1 | Low | 82.3 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | trans | -89.3 | 165 | 172.9 | 73.7 | 13.4 | 0 | 0 | 0 | 113.2 | A520 S521 I522 E634 | N518-A520 PolarHBondContact O-N 2.87Å; N518-A520 VanDerWaalsContact O-N 3.12Å; N518-A520 VanDerWaalsContact OD1-CA 3.31Å; N518-A520 WeakPolarHBondContact OD1-CA 3.43Å; N518-A520 WeakPolarHBondContact OD1-CB 3.47Å; N518-A520 PolarHBondContact OD1-N 2.84Å; N518-S521 PolarHBondContact O-N 3.13Å; N518-S521 VanDerWaalsContact O-N 3.07Å; N518-S521 PolarHBondContact OD1-N 2.81Å; N518-I522 PolarHBondContact N-O 2.8Å; N518-I522 PolarHBondContact OD1-N 3.4Å; N518-I522 PolarHBondContact OD1-O 2.98Å; N518-I522 VanDerWaalsContact OD1-O 3.05Å; N518-E634 WeakPolarHBondContact CA-OE1 3.18Å; N518-E634 WeakPolarHBondContact CB-OE1 3.34Å | ||
| 519 | L | 48.2 | Very low | 82.5 | Confident | 155 Ų | 155 | 33.1 Ų | 33.1 | 81% | 0.812 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.7 | 174 | -67.5 | 170.4 | 0 | 0 | 0 | 113.5 | S521 | L519-S521 VanDerWaalsContact C-N 3.3Š|
| 520 | A | 46.4 | Very low | 82.8 | Confident | 33 Ų | 33 | 31.7 Ų | 31.7 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 9.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I480 N518 I522 | I480-A520 HydrophobicContact CD1-CB 4.21Å; I480-A520 HydrophobicContact CG1-CB 3.92Å; I480-A520 HydrophobicContact CG2-CB 4.5Å; N518-A520 PolarHBondContact O-N 2.87Å; N518-A520 VanDerWaalsContact O-N 3.12Å; N518-A520 VanDerWaalsContact OD1-CA 3.31Å; N518-A520 WeakPolarHBondContact OD1-CA 3.43Å; N518-A520 WeakPolarHBondContact OD1-CB 3.47Å; N518-A520 PolarHBondContact OD1-N 2.84Å; A520-I522 VanDerWaalsContact C-N 3.33Å; A520-I522 PolarHBondContact O-N 2.83Å |
| 521 | S | 58.3 | Low | 82.8 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 59% | 0.587 | 17% | 0.173 | S | C | * | . | S | Bend | trans | 68.7 | 15.8 | 177.8 | -49.6 | 0 | 0 | 0 | 0 | 116.5 | N518 L519 | N518-S521 PolarHBondContact O-N 3.13Å; N518-S521 VanDerWaalsContact O-N 3.07Å; N518-S521 PolarHBondContact OD1-N 2.81Å; L519-S521 VanDerWaalsContact C-N 3.3Å |
| 522 | I | 68.6 | Low | 82.6 | Confident | 28 Ų | 28 | 31.2 Ų | 31.2 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | trans | -107.8 | 133.5 | 173.5 | -63.6 | -177.8 | 0 | 0 | 0 | 109.7 | L483 N518 A520 | L483-I522 HydrophobicContact CB-CD1 3.41Å; L483-I522 VanDerWaalsContact CB-CD1 3.41Å; N518-I522 PolarHBondContact N-O 2.8Å; N518-I522 PolarHBondContact OD1-N 3.4Å; N518-I522 PolarHBondContact OD1-O 2.98Å; N518-I522 VanDerWaalsContact OD1-O 3.05Å; A520-I522 VanDerWaalsContact C-N 3.33Å; A520-I522 PolarHBondContact O-N 2.83Å | ||
| 523 | T | 82.3 | Confident | 82.3 | Confident | 19 Ų | 19 | 34.7 Ų | 34.7 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.8 | 175.5 | -50 | 0 | 0 | 0 | 0 | 109.9 | P490 L491 V515 I525 | P490-T523 VanDerWaalsContact CA-O 3.26Å; P490-T523 WeakPolarHBondContact CA-O 3.44Å; P490-T523 WeakPolarHBondContact CB-O 3.41Å; L491-T523 PolarHBondContact N-O 3.21Å; L491-T523 VanDerWaalsContact N-O 3.1Å; V515-T523 HydrophobicContact CG1-CG2 3.39Å; T523-I525 HydrophobicContact CG2-CG1 4.3Å |
| 524 | R | 85.9 | Confident | 82 | Confident | 13 Ų | 13 | 36 Ų | 36 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.6 | 171.3 | -73 | 179.1 | 165.5 | 142.2 | -7.8 | 109.4 | G476 E478 V515 R516 E634 L708 | G476-R524 PolarHBondContact O-NH2 3.03Å; E478-R524 IonicContact OE2-CZ 3.79Å; E478-R524 IonicContact OE2-NE 2.72Å; E478-R524 IonicContact OE2-NH2 3.96Å; E478-R524 PolarHBondContact OE2-NH2 3.46Å; V515-R524 WeakPolarHBondContact CA-O 3.45Å; R516-R524 PolarHBondContact N-O 3.23Å; R516-R524 PolarHBondContact O-N 3Å; R524-E634 IonicContact CZ-OE2 3Å; R524-E634 VanDerWaalsContact NH1-CD 3.33Å; R524-E634 IonicContact NH1-OE1 3.88Å; R524-E634 IonicContact NH1-OE2 2.68Å; R524-E634 PolarHBondContact NH1-OE2 3.06Å; R524-L708 HydrophobicContact CB-CD2 4.01Å |
| 525 | I | 92.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 107.3 | -178.4 | -55.8 | -177.1 | 0 | 0 | 0 | 107 | P490 L491 I492 I493 F513 Q514 V515 T523 G565 Y568 V569 | P490-I525 HydrophobicContact CB-CD1 3.6Å; P490-I525 HydrophobicContact CB-CG1 4Å; P490-I525 HydrophobicContact CG-CD1 4.11Å; L491-I525 PolarHBondContact O-N 3.32Å; I492-I525 CarbonylContact C-O 3.57Å; I492-I525 WeakPolarHBondContact CA-O 3.5Å; I492-I525 HydrophobicContact CG1-CB 4.16Å; I492-I525 HydrophobicContact CG1-CD1 4.26Å; I492-I525 HydrophobicContact CG2-CG2 4.5Å; I493-I525 PolarHBondContact N-O 2.94Å; F513-I525 HydrophobicContact CB-CG2 4.09Å; F513-I525 HydrophobicContact CD1-CG2 3.99Å; F513-I525 HydrophobicContact CG-CG2 4.41Å; Q514-I525 CarbonylContact O-C 3.51Å; Q514-I525 WeakPolarHBondContact O-CA 3.01Å; V515-I525 HydrophobicContact CG1-CG1 4.1Å; V515-I525 HydrophobicContact CG2-CG1 4.21Å; V515-I525 HydrophobicContact CG2-CG2 4.17Å; T523-I525 HydrophobicContact CG2-CG1 4.3Å; I525-G565 WeakPolarHBondContact CD1-O 3.43Å; I525-Y568 HydrophobicContact CD1-CD1 4.47Å; I525-V569 HydrophobicContact CD1-CB 3.79Å; I525-V569 HydrophobicContact CD1-CG1 4.12Å; I525-V569 HydrophobicContact CG2-CB 3.88Å; I525-V569 HydrophobicContact CG2-CG1 3.94Å; I525-V569 HydrophobicContact CG2-CG2 3.85Å |
| 526 | V | 90.9 | Very high | 81.8 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.9 | -174.7 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | I493 F513 Q514 L708 | I493-V526 HydrophobicContact CB-CG1 4.44Å; I493-V526 HydrophobicContact CB-CG2 4.34Å; I493-V526 HydrophobicContact CD1-CG2 4.34Å; I493-V526 WeakPolarHBondContact O-CA 3.4Å; F513-V526 CarbonylContact C-O 3.54Å; F513-V526 WeakPolarHBondContact CA-O 3.21Å; Q514-V526 PolarHBondContact N-O 2.86Å; Q514-V526 PolarHBondContact O-N 2.79Å; V526-L708 HydrophobicContact CG2-CD1 4.15Å; V526-L708 HydrophobicContact CG2-CD2 3.93Å; V526-L708 HydrophobicContact CG2-CG 3.9Å |
| 527 | E | 93.6 | Very high | 82 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.1 | 170 | -176.2 | 174.7 | -158 | 0 | 0 | 109.8 | I493 Y494 K495 R511 L512 F513 | I493-E527 PolarHBondContact O-N 3.02Å; Y494-E527 WeakPolarHBondContact CA-OE2 3.48Å; K495-E527 HydrophobicContact CB-CB 4.08Å; K495-E527 HydrophobicContact CB-CG 4.2Å; K495-E527 WeakPolarHBondContact CB-O 3.14Å; K495-E527 PolarHBondContact N-OE2 3Å; R511-E527 IonicContact CZ-OE1 3.52Å; R511-E527 VanDerWaalsContact CZ-OE1 3.26Å; R511-E527 IonicContact CZ-OE2 3.57Å; R511-E527 IonicContact NE-OE1 2.63Å; R511-E527 PolarHBondContact NE-OE1 2.66Å; R511-E527 IonicContact NE-OE2 3.67Å; R511-E527 IonicContact NH2-OE1 3.91Å; R511-E527 PolarHBondContact NH2-OE1 2.74Å; R511-E527 IonicContact NH2-OE2 2.62Å; R511-E527 PolarHBondContact NH2-OE2 3.26Å; L512-E527 CarbonylContact O-C 3.6Å; L512-E527 WeakPolarHBondContact O-CA 3.37Å; F513-E527 HydrophobicContact CD1-CB 3.85Å; F513-E527 HydrophobicContact CE1-CB 3.66Å; F513-E527 HydrophobicContact CE1-CG 4.15Å; F513-E527 HydrophobicContact CZ-CB 4.27Å; F513-E527 HydrophobicContact CZ-CG 4.27Å |
| 528 | V | 92.4 | Very high | 82.4 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 174.4 | -178.2 | -67 | 0 | 0 | 0 | 0 | 110.1 | L512 Q514 F541 | L512-V528 HydrophobicContact CB-CG2 3.96Å; L512-V528 HydrophobicContact CD2-CG2 3.76Å; L512-V528 HydrophobicContact CG-CG2 3.65Å; L512-V528 PolarHBondContact O-N 3.05Å; Q514-V528 HydrophobicContact CB-CG1 4.06Å; V528-F541 HydrophobicContact CG2-CE1 4.26Å |
| 529 | D | 91.1 | Very high | 83.7 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | trans | -61.2 | 141.8 | 175 | -69.8 | -37.1 | 0 | 0 | 0 | 110.6 | K495 L512 D531 S534 S712 | K495-D529 IonicContact NZ-OD1 3.06Å; K495-D529 PolarHBondContact NZ-OD1 2.9Å; K495-D529 IonicContact NZ-OD2 2.64Å; K495-D529 PolarHBondContact NZ-OD2 2.85Å; L512-D529 WeakPolarHBondContact CD2-O 3.4Å; D529-D531 HydrophobicContact CB-CB 4.31Å; D529-D531 PolarHBondContact O-N 3.36Å; D529-S534 PolarHBondContact O-OG 2.81Å; D529-S712 PolarHBondContact OD2-N 3.46Å; D529-S712 PolarHBondContact OD2-OG 3.14Å | ||
| 530 | V | 93.6 | Very high | 85.9 | Confident | 52 Ų | 52 | 23.9 Ų | 23.9 | 32% | 0.315 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -78.7 | 74.7 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | T510 L512 L543 S592 L593 | T510-V530 HydrophobicContact CG2-CG1 3.57Å; T510-V530 HydrophobicContact CG2-CG2 4.33Å; L512-V530 HydrophobicContact CB-CG2 4.25Å; V530-L543 HydrophobicContact CG1-CD1 4.2Å; V530-S592 WeakPolarHBondContact CG1-O 3.2Å; V530-L593 HydrophobicContact CG1-CD2 3.94Å |
| 531 | D | 92.1 | Very high | 88.4 | Confident | 53 Ų | 53 | 22.3 Ų | 22.3 | 28% | 0.283 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -146.1 | 141.3 | -171.7 | -166.7 | -60.7 | 0 | 0 | 0 | 109.6 | D529 H533 S534 | D529-D531 HydrophobicContact CB-CB 4.31Å; D529-D531 PolarHBondContact O-N 3.36Å; D531-H533 PolarHBondContact O-N 2.94Å; D531-H533 WeakPolarHBondContact OD1-CB 3.45Å; D531-H533 IonicContact OD1-CG 3.98Å; D531-H533 PolarHBondContact OD1-N 3.09Å; D531-H533 IonicContact OD1-ND1 2.61Å; D531-H533 PolarHBondContact OD1-ND1 3.44Å; D531-S534 WeakPolarHBondContact O-CB 3.44Å; D531-S534 PolarHBondContact O-N 2.86Å; D531-S534 VanDerWaalsContact O-N 3.1Å |
| 532 | A | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -61 | -33.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S534 L535 W590 L593 G595 E597 Y599 | A532-S534 PolarHBondContact O-N 3.24Å; A532-S534 VanDerWaalsContact O-N 3.16Å; A532-L535 WeakPolarHBondContact O-CB 3.48Å; A532-L535 PolarHBondContact O-N 2.89Å; A532-L535 VanDerWaalsContact O-N 3.14Å; A532-W590 HydrophobicContact CB-CE3 4.22Å; A532-W590 HydrophobicContact CB-CZ3 3.99Å; A532-L593 HydrophobicContact CB-CB 4.26Å; A532-L593 PolarHBondContact N-O 3.31Å; A532-G595 WeakPolarHBondContact CB-O 3.33Å; A532-E597 HydrophobicContact CB-CB 4.04Å; A532-Y599 WeakPolarHBondContact O-CB 3.22Å |
| 533 | H | 88.9 | Confident | 91.6 | Very high | 73 Ų | 73 | 17 Ų | 17 | 34% | 0.338 | 9% | 0.092 | S | C | . | . | G | 310 helix | trans | -63.4 | -18.4 | 176.4 | -66 | 99.8 | 0 | 0 | 0 | 113.7 | D531 L535 E597 D598 | D531-H533 PolarHBondContact O-N 2.94Å; D531-H533 WeakPolarHBondContact OD1-CB 3.45Å; D531-H533 IonicContact OD1-CG 3.98Å; D531-H533 PolarHBondContact OD1-N 3.09Å; D531-H533 IonicContact OD1-ND1 2.61Å; D531-H533 PolarHBondContact OD1-ND1 3.44Å; H533-L535 VanDerWaalsContact C-N 3.27Å; H533-L535 PolarHBondContact O-N 3.45Å; H533-E597 IonicContact CE1-OE1 3.96Å; H533-E597 IonicContact CE1-OE2 2.74Å; H533-E597 PolarHBondContact CE1-OE2 3.42Å; H533-E597 IonicContact ND1-OE2 3.43Å; H533-E597 PolarHBondContact ND1-OE2 2.66Å; H533-E597 IonicContact NE2-OE2 3.68Å; H533-D598 PolarHBondContact CD2-O 3.19Å |
| 534 | S | 90.6 | Very high | 92.3 | Very high | 28 Ų | 28 | 17.1 Ų | 17.1 | 20% | 0.196 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -76.4 | -14.1 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 113 | D529 D531 A532 F541 | D529-S534 PolarHBondContact O-OG 2.81Å; D531-S534 WeakPolarHBondContact O-CB 3.44Å; D531-S534 PolarHBondContact O-N 2.86Å; D531-S534 VanDerWaalsContact O-N 3.1Å; A532-S534 PolarHBondContact O-N 3.24Å; A532-S534 VanDerWaalsContact O-N 3.16Å; S534-F541 WeakPolarHBondContact O-CE1 3.41Å; S534-F541 WeakPolarHBondContact O-CZ 3.22Å |
| 535 | L | 93.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | trans | -70 | 154 | -179.8 | -64.3 | 177.7 | 0 | 0 | 0 | 112.2 | L512 A532 H533 F541 W553 F589 W590 L593 Y599 Q600 | L512-L535 HydrophobicContact CD2-CD2 4.48Å; A532-L535 WeakPolarHBondContact O-CB 3.48Å; A532-L535 PolarHBondContact O-N 2.89Å; A532-L535 VanDerWaalsContact O-N 3.14Å; H533-L535 VanDerWaalsContact C-N 3.27Å; H533-L535 PolarHBondContact O-N 3.45Å; L535-F541 HydrophobicContact CD2-CB 3.99Å; L535-F541 HydrophobicContact CD2-CD1 3.85Å; L535-F541 HydrophobicContact CD2-CD2 3.96Å; L535-F541 HydrophobicContact CD2-CE1 4.29Å; L535-F541 HydrophobicContact CD2-CE2 4.4Å; L535-F541 HydrophobicContact CD2-CG 3.66Å; L535-W553 HydrophobicContact CB-CH2 4.45Å; L535-W553 HydrophobicContact CD1-CZ2 4.47Å; L535-W553 HydrophobicContact CD2-CD2 4.34Å; L535-W553 HydrophobicContact CD2-CE3 4.21Å; L535-F589 HydrophobicContact CD1-CE1 3.93Å; L535-F589 HydrophobicContact CD1-CZ 4.01Å; L535-F589 HydrophobicContact CD2-CZ 4.38Å; L535-W590 HydrophobicContact CD1-CH2 3.9Å; L535-W590 HydrophobicContact CD1-CZ3 3.77Å; L535-L593 HydrophobicContact CD1-CD1 3.98Å; L535-L593 HydrophobicContact CG-CD1 4.42Å; L535-Y599 HydrophobicContact CB-CD2 3.79Å; L535-Y599 HydrophobicContact CB-CE2 4.44Å; L535-Y599 HydrophobicContact CB-CG 3.84Å; L535-Y599 WeakPolarHBondContact O-CB 3.22Å; L535-Q600 PolarHBondContact O-N 3.29Å | ||
| 536 | N | 90.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -149.9 | 122.6 | 178.9 | -174.7 | -38 | 0 | 0 | 0 | 110.3 | R516 N538 D539 F541 W553 Q600 L605 G705 | R516-N536 PolarHBondContact NH2-ND2 3.16Å; N536-N538 PolarHBondContact O-N 3.45Å; N536-N538 WeakPolarHBondContact OD1-CB 3.16Å; N536-N538 PolarHBondContact OD1-N 2.93Å; N536-D539 PolarHBondContact O-N 2.79Å; N536-F541 HydrophobicContact CB-CE2 4.01Å; N536-F541 HydrophobicContact CB-CZ 4.08Å; N536-F541 VanDerWaalsContact N-CE2 3.26Å; N536-W553 WeakPolarHBondContact O-CZ3 3.46Å; N536-Q600 WeakPolarHBondContact CA-O 3.34Å; N536-Q600 HydrophobicContact CB-CB 4.38Å; N536-L605 WeakPolarHBondContact OD1-CD1 3.26Å; N536-G705 PolarHBondContact ND2-O 2.92Å |
| 537 | S | 90.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18 | -179.4 | -61.5 | 0 | 0 | 0 | 0 | 114.7 | G555 K556 G557 E582 Q600 T601 | S537-G555 CarbonylContact O-C 3.56Å; S537-G555 VanDerWaalsContact O-CA 3.22Å; S537-G555 WeakPolarHBondContact O-CA 3.32Å; S537-K556 PolarHBondContact O-N 2.89Å; S537-K556 VanDerWaalsContact O-N 3.09Å; S537-G557 WeakPolarHBondContact O-CA 3.43Å; S537-G557 PolarHBondContact O-N 3.27Å; S537-E582 WeakPolarHBondContact CA-OE2 3.38Å; S537-E582 WeakPolarHBondContact CB-OE2 3.48Å; S537-E582 PolarHBondContact OG-OE1 2.76Å; S537-E582 PolarHBondContact OG-OE2 3.36Å; S537-Q600 PolarHBondContact N-O 3.21Å; S537-Q600 PolarHBondContact OG-O 2.86Å; S537-T601 WeakPolarHBondContact OG-CA 3.3Å; S537-T601 WeakPolarHBondContact OG-CB 3.38Å; S537-T601 WeakPolarHBondContact OG-CG2 3.4Å |
| 538 | N | 85.4 | Confident | 92.2 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.9 | 177.5 | -163.8 | 68.3 | 0 | 0 | 0 | 114 | N536 G557 A558 L605 | N536-N538 PolarHBondContact O-N 3.45Å; N536-N538 WeakPolarHBondContact OD1-CB 3.16Å; N536-N538 PolarHBondContact OD1-N 2.93Å; N538-G557 CarbonylContact O-C 3.57Å; N538-A558 WeakPolarHBondContact O-CA 3.46Å; N538-A558 PolarHBondContact O-N 2.72Å; N538-L605 HydrophobicContact CB-CB 3.9Å; N538-L605 HydrophobicContact CB-CD1 4.41Å; N538-L605 HydrophobicContact CB-CD2 3.91Å; N538-L605 HydrophobicContact CB-CG 4.26Å; N538-L605 PolarHBondContact OD1-O 2.92Å |
| 539 | D | 90.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -120.4 | 170.4 | -163.3 | -49.7 | -44.9 | 0 | 0 | 0 | 111.4 | Q514 R516 N536 F541 G555 | Q514-D539 HydrophobicContact CG-CB 4.36Å; Q514-D539 PolarHBondContact NE2-OD2 3.14Å; R516-D539 IonicContact CZ-OD1 2.85Å; R516-D539 IonicContact CZ-OD2 3.99Å; R516-D539 IonicContact NE-OD1 2.7Å; R516-D539 PolarHBondContact NE-OD1 2.95Å; R516-D539 IonicContact NE-OD2 3.52Å; R516-D539 PolarHBondContact NE-OD2 3.1Å; R516-D539 IonicContact NH2-OD1 2.77Å; R516-D539 PolarHBondContact NH2-OD1 3.36Å; R516-D539 IonicContact NH2-OD2 3.48Å; R516-D539 PolarHBondContact NH2-OD2 3.02Å; N536-D539 PolarHBondContact O-N 2.79Å; D539-F541 HydrophobicContact CB-CD2 4.44Å; D539-F541 HydrophobicContact CB-CE2 3.88Å; D539-G555 PolarHBondContact O-N 2.77Å |
| 540 | V | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.6 | 169.6 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | V515 I552 W553 I554 A558 E562 E563 A566 | V515-V540 WeakPolarHBondContact CA-O 3.45Å; V515-V540 HydrophobicContact CB-CB 4.26Å; V515-V540 VanDerWaalsContact CB-O 3.25Å; V515-V540 WeakPolarHBondContact CB-O 3.16Å; V515-V540 PolarHBondContact N-O 3.06Å; V515-V540 PolarHBondContact O-N 2.92Å; V540-I552 HydrophobicContact CG1-CG2 3.55Å; V540-W553 WeakPolarHBondContact CA-O 3.41Å; V540-W553 WeakPolarHBondContact CG1-O 3.44Å; V540-I554 HydrophobicContact CG1-CG1 4.48Å; V540-A558 HydrophobicContact CG2-CB 3.53Å; V540-E562 HydrophobicContact CB-CB 4.13Å; V540-E562 HydrophobicContact CG2-CB 3.63Å; V540-E563 HydrophobicContact CG2-CG 4.01Å; V540-A566 HydrophobicContact CB-CB 4.3Å; V540-A566 HydrophobicContact CG1-CB 3.42Å; V540-A566 VanDerWaalsContact CG1-CB 3.42Å |
| 541 | F | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.9 | 177 | -74 | -102.8 | 0 | 0 | 0 | 111.9 | L512 F513 Q514 V528 S534 L535 N536 D539 I552 W553 | L512-F541 HydrophobicContact CD1-CB 4.13Å; L512-F541 HydrophobicContact CD1-CD1 4.05Å; L512-F541 HydrophobicContact CD2-CD1 4.21Å; L512-F541 HydrophobicContact CG-CD1 4.04Å; F513-F541 CarbonylContact O-C 3.51Å; F513-F541 WeakPolarHBondContact O-CA 3.32Å; Q514-F541 HydrophobicContact CB-CD1 4.06Å; Q514-F541 HydrophobicContact CB-CE1 3.52Å; Q514-F541 HydrophobicContact CB-CZ 3.92Å; Q514-F541 HydrophobicContact CG-CE1 3.74Å; Q514-F541 HydrophobicContact CG-CE2 4.22Å; Q514-F541 HydrophobicContact CG-CZ 3.56Å; V528-F541 HydrophobicContact CG2-CE1 4.26Å; S534-F541 WeakPolarHBondContact O-CE1 3.41Å; S534-F541 WeakPolarHBondContact O-CZ 3.22Å; L535-F541 HydrophobicContact CD2-CB 3.99Å; L535-F541 HydrophobicContact CD2-CD1 3.85Å; L535-F541 HydrophobicContact CD2-CD2 3.96Å; L535-F541 HydrophobicContact CD2-CE1 4.29Å; L535-F541 HydrophobicContact CD2-CE2 4.4Å; L535-F541 HydrophobicContact CD2-CG 3.66Å; N536-F541 HydrophobicContact CB-CE2 4.01Å; N536-F541 HydrophobicContact CB-CZ 4.08Å; N536-F541 VanDerWaalsContact N-CE2 3.26Å; D539-F541 HydrophobicContact CB-CD2 4.44Å; D539-F541 HydrophobicContact CB-CE2 3.88Å; F541-I552 CarbonylContact O-C 3.43Å; F541-I552 WeakPolarHBondContact O-CA 3.4Å; F541-W553 HydrophobicContact CB-CB 4.35Å; F541-W553 HydrophobicContact CB-CE3 4.3Å; F541-W553 AromaticContact CD2-CE3 3.72Å; F541-W553 HydrophobicContact CD2-CE3 3.72Å; F541-W553 AromaticContact CD2-CZ3 3.84Å; F541-W553 HydrophobicContact CD2-CZ3 3.84Å; F541-W553 HydrophobicContact CE2-CZ3 4.23Å; F541-W553 HydrophobicContact CG-CE3 4.39Å; F541-W553 PolarHBondContact N-O 2.84Å; F541-W553 PolarHBondContact O-N 2.7Å |
| 542 | V | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.7 | 171.3 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | L512 F513 V515 Y551 I552 A566 V569 A570 T577 | L512-V542 WeakPolarHBondContact CA-O 3.45Å; F513-V542 HydrophobicContact CB-CB 4.27Å; F513-V542 PolarHBondContact N-O 3.27Å; F513-V542 PolarHBondContact O-N 2.81Å; V515-V542 HydrophobicContact CG2-CG2 4.29Å; V542-Y551 WeakPolarHBondContact CA-O 3.33Å; V542-I552 HydrophobicContact CG2-CG1 4.24Å; V542-A566 HydrophobicContact CG2-CB 3.56Å; V542-V569 HydrophobicContact CB-CG1 4.09Å; V542-V569 HydrophobicContact CG1-CG1 4.43Å; V542-V569 HydrophobicContact CG2-CG1 3.59Å; V542-A570 HydrophobicContact CG1-CB 4.39Å; V542-T577 HydrophobicContact CG1-CG2 4.34Å |
| 543 | L | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 107.5 | 171.8 | 178.6 | 58.4 | 0 | 0 | 0 | 108.8 | T510 L512 V530 L545 G550 Y551 F589 L593 | T510-L543 HydrophobicContact CG2-CD1 3.91Å; L512-L543 HydrophobicContact CB-CD1 4.49Å; L512-L543 HydrophobicContact CD1-CB 3.94Å; L512-L543 HydrophobicContact CD1-CD1 4.22Å; V530-L543 HydrophobicContact CG1-CD1 4.2Å; L543-L545 HydrophobicContact CD1-CD2 4.48Å; L543-L545 HydrophobicContact CD2-CD2 4.2Å; L543-L545 HydrophobicContact CG-CD2 4.1Å; L543-G550 CarbonylContact O-C 3.56Å; L543-G550 WeakPolarHBondContact O-CA 3.23Å; L543-Y551 HydrophobicContact CD2-CD2 4.15Å; L543-Y551 PolarHBondContact N-O 2.75Å; L543-Y551 PolarHBondContact O-N 3.32Å; L543-F589 HydrophobicContact CB-CE2 4.2Å; L543-F589 HydrophobicContact CD2-CD2 3.66Å; L543-F589 HydrophobicContact CD2-CE2 3.81Å; L543-F589 HydrophobicContact CD2-CG 4.49Å; L543-L593 HydrophobicContact CD1-CD2 3.91Å; L543-L593 HydrophobicContact CD2-CD2 4.05Å; L543-L593 HydrophobicContact CD2-CG 4.08Å |
| 544 | K | 95.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 9% | 0.087 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130.8 | 170.2 | -175.5 | -168.5 | -178.9 | -54.1 | 0 | 109 | P509 T510 R511 N548 L573 C575 | P509-K544 PolarHBondContact O-NZ 3.23Å; T510-K544 CarbonylContact C-O 3.52Å; T510-K544 WeakPolarHBondContact CA-O 3.33Å; T510-K544 WeakPolarHBondContact CG2-O 3.45Å; R511-K544 HydrophobicContact CB-CB 4.41Å; R511-K544 PolarHBondContact N-O 2.93Å; R511-K544 PolarHBondContact O-N 3.48Å; K544-N548 WeakPolarHBondContact CE-OD1 3.36Å; K544-N548 PolarHBondContact NZ-OD1 3.06Å; K544-L573 HydrophobicContact CB-CD1 4.49Å; K544-L573 HydrophobicContact CD-CB 4.43Å; K544-L573 HydrophobicContact CD-CD1 4.48Å; K544-C575 HydrophobicContact CG-CB 4.41Å |
| 545 | L | 94.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 172 | 174.5 | -65.2 | -176.1 | 0 | 0 | 0 | 112.1 | P509 T510 L543 S549 Y551 S592 | P509-L545 CarbonylContact O-C 3.46Å; T510-L545 HydrophobicContact CG2-CD2 4.15Å; L543-L545 HydrophobicContact CD1-CD2 4.48Å; L543-L545 HydrophobicContact CD2-CD2 4.2Å; L543-L545 HydrophobicContact CG-CD2 4.1Å; L545-S549 WeakPolarHBondContact CA-O 3.15Å; L545-S549 WeakPolarHBondContact CB-O 3.37Å; L545-S549 PolarHBondContact N-O 3Å; L545-Y551 HydrophobicContact CD1-CD2 4.28Å; L545-Y551 HydrophobicContact CD1-CE2 3.69Å; L545-Y551 HydrophobicContact CG-CE2 4.49Å; L545-S592 WeakPolarHBondContact CD2-OG 3.15Å |
| 546 | P | 91.2 | Very high | 93.7 | Very high | 58 Ų | 58 | 28.6 Ų | 28.6 | 38% | 0.377 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -52.8 | 154.7 | 167 | -24.7 | 35.1 | 0 | 0 | 0 | 111.8 | P509 N548 S549 | P509-P546 HydrophobicContact CB-CB 4.43Å; P509-P546 HydrophobicContact CB-CG 4.22Å; P546-N548 PolarHBondContact O-N 2.68Å; P546-S549 PolarHBondContact O-OG 3.06Å |
| 547 | Q | 87.6 | Confident | 93.4 | Very high | 189 Ų | 189 | 29.5 Ų | 29.5 | 88% | 0.883 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | 66.3 | 15 | 179.1 | -47.9 | 171.3 | 23 | 0 | 0 | 115.8 | S549 | Q547-S549 VanDerWaalsContact C-N 3.27Å; Q547-S549 PolarHBondContact O-N 3.37Å |
| 548 | N | 87.9 | Confident | 93.3 | Very high | 82 Ų | 82 | 30.5 Ų | 30.5 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | 63 | 29.9 | 177.5 | -56 | -27.7 | 0 | 0 | 0 | 113.8 | K544 P546 K574 C575 K576 | K544-N548 WeakPolarHBondContact CE-OD1 3.36Å; K544-N548 PolarHBondContact NZ-OD1 3.06Å; P546-N548 PolarHBondContact O-N 2.68Å; N548-K574 WeakPolarHBondContact CB-O 3.34Å; N548-C575 CarbonylContact O-C 3.52Å; N548-C575 WeakPolarHBondContact O-CA 3.5Å; N548-K576 PolarHBondContact O-N 3.24Å |
| 549 | S | 94.6 | Very high | 93.3 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 170 | 159.4 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | L545 P546 Q547 C575 K576 | L545-S549 WeakPolarHBondContact CA-O 3.15Å; L545-S549 WeakPolarHBondContact CB-O 3.37Å; L545-S549 PolarHBondContact N-O 3Å; P546-S549 PolarHBondContact O-OG 3.06Å; Q547-S549 VanDerWaalsContact C-N 3.27Å; Q547-S549 PolarHBondContact O-N 3.37Å; S549-C575 PolarHBondContact O-SG 2.75Å; S549-K576 CarbonylContact C-O 3.57Å; S549-K576 VanDerWaalsContact CA-O 3.28Å; S549-K576 WeakPolarHBondContact CA-O 3.42Å |
| 550 | G | 95.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | -167 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L543 K576 T577 L578 | L543-G550 CarbonylContact O-C 3.56Å; L543-G550 WeakPolarHBondContact O-CA 3.23Å; G550-K576 PolarHBondContact N-O 2.61Å; G550-T577 CarbonylContact O-C 3.59Å; G550-T577 VanDerWaalsContact O-CA 3.28Å; G550-T577 WeakPolarHBondContact O-CA 3.37Å; G550-L578 PolarHBondContact O-N 3.04Å |
| 551 | Y | 97.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.8 | 178.5 | -56.5 | -82.8 | 0 | 0 | 0 | 111.1 | V542 L543 L545 L578 I580 P586 E588 F589 | V542-Y551 WeakPolarHBondContact CA-O 3.33Å; L543-Y551 HydrophobicContact CD2-CD2 4.15Å; L543-Y551 PolarHBondContact N-O 2.75Å; L543-Y551 PolarHBondContact O-N 3.32Å; L545-Y551 HydrophobicContact CD1-CD2 4.28Å; L545-Y551 HydrophobicContact CD1-CE2 3.69Å; L545-Y551 HydrophobicContact CG-CE2 4.49Å; Y551-L578 CarbonylContact C-O 3.51Å; Y551-L578 VanDerWaalsContact CA-O 3.25Å; Y551-L578 WeakPolarHBondContact CA-O 3.21Å; Y551-L578 HydrophobicContact CD1-CB 3.98Å; Y551-L578 HydrophobicContact CD1-CD2 4.38Å; Y551-L578 HydrophobicContact CE1-CB 4.28Å; Y551-L578 HydrophobicContact CE1-CD2 4.1Å; Y551-I580 HydrophobicContact CD1-CD1 4.09Å; Y551-I580 HydrophobicContact CD1-CG2 4.03Å; Y551-I580 HydrophobicContact CG-CD1 4.12Å; Y551-P586 HydrophobicContact CE1-CG 3.91Å; Y551-E588 PolarHBondContact OH-OE2 3.48Å; Y551-E588 VanDerWaalsContact OH-OE2 3.05Å; Y551-F589 HydrophobicContact CD2-CB 4.38Å; Y551-F589 AromaticContact CD2-CD2 3.72Å; Y551-F589 HydrophobicContact CD2-CD2 3.72Å; Y551-F589 HydrophobicContact CE2-CB 4.19Å; Y551-F589 HydrophobicContact CE2-CD2 4.35Å; Y551-F589 AromaticContact CG-CD2 3.93Å; Y551-F589 HydrophobicContact CG-CD2 3.93Å |
| 552 | I | 98.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 107.4 | 158.4 | -66.8 | 172.8 | 0 | 0 | 0 | 105.5 | V540 F541 V542 I554 A566 E567 T577 L578 R579 I580 | V540-I552 HydrophobicContact CG1-CG2 3.55Å; F541-I552 CarbonylContact O-C 3.43Å; F541-I552 WeakPolarHBondContact O-CA 3.4Å; V542-I552 HydrophobicContact CG2-CG1 4.24Å; I552-I554 HydrophobicContact CG2-CG1 4.11Å; I552-A566 HydrophobicContact CD1-CB 4.31Å; I552-A566 HydrophobicContact CG1-CB 4.38Å; I552-A566 HydrophobicContact CG2-CB 3.92Å; I552-E567 HydrophobicContact CD1-CG 4.14Å; I552-T577 WeakPolarHBondContact CD1-OG1 3.17Å; I552-T577 HydrophobicContact CG1-CG2 4.06Å; I552-L578 PolarHBondContact N-O 3.33Å; I552-R579 HydrophobicContact CB-CG 4.32Å; I552-R579 WeakPolarHBondContact O-CA 3.49Å; I552-I580 PolarHBondContact O-N 2.95Å |
| 553 | W | 98.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.8 | 176.2 | -179.2 | 94 | 0 | 0 | 0 | 109 | L535 N536 V540 F541 I580 E582 E585 F589 Y599 | L535-W553 HydrophobicContact CB-CH2 4.45Å; L535-W553 HydrophobicContact CD1-CZ2 4.47Å; L535-W553 HydrophobicContact CD2-CD2 4.34Å; L535-W553 HydrophobicContact CD2-CE3 4.21Å; N536-W553 WeakPolarHBondContact O-CZ3 3.46Å; V540-W553 WeakPolarHBondContact CA-O 3.41Å; V540-W553 WeakPolarHBondContact CG1-O 3.44Å; F541-W553 HydrophobicContact CB-CB 4.35Å; F541-W553 HydrophobicContact CB-CE3 4.3Å; F541-W553 AromaticContact CD2-CE3 3.72Å; F541-W553 HydrophobicContact CD2-CE3 3.72Å; F541-W553 AromaticContact CD2-CZ3 3.84Å; F541-W553 HydrophobicContact CD2-CZ3 3.84Å; F541-W553 HydrophobicContact CE2-CZ3 4.23Å; F541-W553 HydrophobicContact CG-CE3 4.39Å; F541-W553 PolarHBondContact N-O 2.84Å; F541-W553 PolarHBondContact O-N 2.7Å; W553-I580 WeakPolarHBondContact CA-O 3.12Å; W553-I580 HydrophobicContact CB-CD1 4.19Å; W553-I580 HydrophobicContact CB-CG1 3.99Å; W553-I580 HydrophobicContact CG-CD1 4.42Å; W553-I580 HydrophobicContact CG-CG1 4.31Å; W553-E582 HydrophobicContact CH2-CB 4.24Å; W553-E582 HydrophobicContact CH2-CG 4.26Å; W553-E582 HydrophobicContact CZ2-CB 3.62Å; W553-E582 HydrophobicContact CZ2-CG 3.63Å; W553-E585 PolarHBondContact NE1-OE1 3.03Å; W553-F589 HydrophobicContact CB-CE2 3.97Å; W553-F589 HydrophobicContact CB-CZ 3.89Å; W553-F589 AromaticContact CD1-CE1 3.86Å; W553-F589 AromaticContact CD1-CZ 3.56Å; W553-F589 HydrophobicContact CG-CE1 4.49Å; W553-F589 HydrophobicContact CG-CE2 4.33Å; W553-F589 AromaticContact CG-CZ 3.79Å; W553-F589 HydrophobicContact CG-CZ 3.79Å; W553-Y599 AromaticContact CH2-CE2 3.89Å; W553-Y599 HydrophobicContact CH2-CE2 3.89Å; W553-Y599 AromaticContact CZ2-CE2 3.83Å; W553-Y599 HydrophobicContact CZ2-CE2 3.83Å |
| 554 | I | 96.7 | Very high | 92 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.1 | -174.5 | -57.3 | 171.8 | 0 | 0 | 0 | 107.6 | V540 I552 A558 E563 I580 E582 | V540-I554 HydrophobicContact CG1-CG1 4.48Å; I552-I554 HydrophobicContact CG2-CG1 4.11Å; I554-A558 HydrophobicContact CG2-CB 4Å; I554-E563 HydrophobicContact CD1-CG 4.39Å; I554-I580 PolarHBondContact N-O 3.44Å; I554-E582 PolarHBondContact O-N 3.13Å |
| 555 | G | 93 | Very high | 91.8 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -65.2 | 151.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S537 D539 G557 A558 E582 | S537-G555 CarbonylContact O-C 3.56Å; S537-G555 VanDerWaalsContact O-CA 3.22Å; S537-G555 WeakPolarHBondContact O-CA 3.32Å; D539-G555 PolarHBondContact O-N 2.77Å; G555-G557 PolarHBondContact O-N 3.09Å; G555-A558 WeakPolarHBondContact O-CB 3.42Å; G555-A558 PolarHBondContact O-N 3.29Å; G555-A558 VanDerWaalsContact O-N 3.08Å; G555-E582 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 556 | K | 90.3 | Very high | 91.8 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.7 | -177.5 | -68.9 | 165.1 | -172.9 | 153.5 | 0 | 114.6 | S537 E582 E606 | S537-K556 PolarHBondContact O-N 2.89Å; S537-K556 VanDerWaalsContact O-N 3.09Å; K556-E582 HydrophobicContact CD-CG 4.45Å; K556-E582 WeakPolarHBondContact CE-OE1 3.4Å; K556-E582 HydrophobicContact CG-CB 4.15Å; K556-E582 HydrophobicContact CG-CG 4.25Å; K556-E582 WeakPolarHBondContact CG-OE2 3.36Å; K556-E582 PolarHBondContact N-OE2 3.44Å; K556-E582 IonicContact NZ-OE1 2.74Å; K556-E582 PolarHBondContact NZ-OE1 3.33Å; K556-E582 VanDerWaalsContact NZ-OE1 3.11Å; K556-E606 HydrophobicContact CB-CG 4.1Å; K556-E606 HydrophobicContact CD-CG 4.31Å; K556-E606 WeakPolarHBondContact CD-OE1 3.31Å; K556-E606 IonicContact NZ-OE1 2.81Å; K556-E606 PolarHBondContact NZ-OE1 3.44Å; K556-E606 VanDerWaalsContact NZ-OE1 3.09Å |
| 557 | G | 83.9 | Confident | 92 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -6.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S537 N538 G555 L605 | S537-G557 WeakPolarHBondContact O-CA 3.43Å; S537-G557 PolarHBondContact O-N 3.27Å; N538-G557 CarbonylContact O-C 3.57Å; G555-G557 PolarHBondContact O-N 3.09Å; G557-L605 WeakPolarHBondContact CA-O 3.33Å |
| 558 | A | 88.1 | Confident | 92.3 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | trans | -62.9 | 146.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N538 V540 I554 G555 | N538-A558 WeakPolarHBondContact O-CA 3.46Å; N538-A558 PolarHBondContact O-N 2.72Å; V540-A558 HydrophobicContact CG2-CB 3.53Å; I554-A558 HydrophobicContact CG2-CB 4Å; G555-A558 WeakPolarHBondContact O-CB 3.42Å; G555-A558 PolarHBondContact O-N 3.29Å; G555-A558 VanDerWaalsContact O-N 3.08Å | ||
| 559 | S | 86.7 | Confident | 92.6 | Very high | 28 Ų | 28 | 37.5 Ų | 37.5 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | trans | -94.7 | 158.2 | 176.1 | 69 | 0 | 0 | 0 | 0 | 112.9 | E561 E562 E563 | S559-E561 PolarHBondContact O-N 2.82Å; S559-E562 WeakPolarHBondContact CB-OE2 3.42Å; S559-E562 PolarHBondContact N-OE2 3.02Å; S559-E562 PolarHBondContact O-N 3.22Å; S559-E562 VanDerWaalsContact O-N 3.13Å; S559-E562 WeakPolarHBondContact OG-CG 3.43Å; S559-E562 PolarHBondContact OG-N 2.95Å; S559-E562 PolarHBondContact OG-OE2 2.71Å; S559-E563 PolarHBondContact O-N 3.05Å | ||
| 560 | Q | 87.9 | Confident | 92.6 | Very high | 126 Ų | 126 | 35.4 Ų | 35.4 | 59% | 0.589 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -63.9 | -27.6 | 176.6 | -166.7 | 177.7 | 37 | 0 | 0 | 112.4 | K564 | Q560-K564 WeakPolarHBondContact O-CG 3.22Å; Q560-K564 PolarHBondContact O-N 3.35Å |
| 561 | E | 86.5 | Confident | 92.5 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.1 | -35.1 | 174.8 | -70.6 | 72.2 | -145.9 | 0 | 0 | 112.6 | R517 S559 K564 G565 | R517-E561 IonicContact CZ-OE2 3.2Å; R517-E561 VanDerWaalsContact NH1-CD 3.26Å; R517-E561 IonicContact NH1-OE1 3.14Å; R517-E561 IonicContact NH1-OE2 2.63Å; R517-E561 PolarHBondContact NH1-OE2 3.08Å; S559-E561 PolarHBondContact O-N 2.82Å; E561-K564 PolarHBondContact O-N 3.37Å; E561-G565 PolarHBondContact O-N 3.18Å |
| 562 | E | 90.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.1 | -37.9 | 175.9 | -72.5 | 156.1 | 151.6 | 0 | 0 | 111.2 | V515 R516 R517 V540 S559 K564 G565 A566 | V515-E562 HydrophobicContact CG1-CB 4.21Å; V515-E562 VanDerWaalsContact CG1-O 3.23Å; V515-E562 WeakPolarHBondContact CG1-O 3.26Å; R516-E562 WeakPolarHBondContact CA-OE1 3.49Å; R517-E562 HydrophobicContact CB-CG 3.87Å; R517-E562 PolarHBondContact N-OE1 3.21Å; V540-E562 HydrophobicContact CB-CB 4.13Å; V540-E562 HydrophobicContact CG2-CB 3.63Å; S559-E562 WeakPolarHBondContact CB-OE2 3.42Å; S559-E562 PolarHBondContact N-OE2 3.02Å; S559-E562 PolarHBondContact O-N 3.22Å; S559-E562 VanDerWaalsContact O-N 3.13Å; S559-E562 WeakPolarHBondContact OG-CG 3.43Å; S559-E562 PolarHBondContact OG-N 2.95Å; S559-E562 PolarHBondContact OG-OE2 2.71Å; E562-K564 VanDerWaalsContact C-N 3.32Å; E562-K564 PolarHBondContact O-N 3.1Å; E562-G565 CarbonylContact O-C 3.6Å; E562-G565 WeakPolarHBondContact O-CA 3.43Å; E562-G565 PolarHBondContact O-N 2.97Å; E562-G565 VanDerWaalsContact O-N 3.11Å; E562-A566 PolarHBondContact O-N 3.25Å |
| 563 | E | 93.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 41 Ų | 41 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 172.5 | -65.7 | -176.2 | -168.6 | 0 | 0 | 112.1 | V540 I554 S559 G565 A566 E567 R579 | V540-E563 HydrophobicContact CG2-CG 4.01Å; I554-E563 HydrophobicContact CD1-CG 4.39Å; S559-E563 PolarHBondContact O-N 3.05Å; E563-G565 VanDerWaalsContact C-N 3.3Å; E563-G565 PolarHBondContact O-N 3.3Å; E563-A566 WeakPolarHBondContact O-CB 3.5Å; E563-A566 PolarHBondContact O-N 3.11Å; E563-E567 WeakPolarHBondContact O-CG 3.17Å; E563-E567 PolarHBondContact O-N 2.94Å; E563-R579 VanDerWaalsContact CD-NH2 3.29Å; E563-R579 IonicContact OE1-NH2 3.98Å; E563-R579 IonicContact OE2-CZ 2.89Å; E563-R579 IonicContact OE2-NH1 3.05Å; E563-R579 IonicContact OE2-NH2 3.9Å; E563-R579 PolarHBondContact OE2-NH2 2.95Å |
| 564 | K | 92.3 | Very high | 91.6 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 174.6 | -70.5 | 170.9 | -174 | 163.6 | 0 | 111.5 | Q560 E561 E562 A566 E567 Y568 | Q560-K564 WeakPolarHBondContact O-CG 3.22Å; Q560-K564 PolarHBondContact O-N 3.35Å; E561-K564 PolarHBondContact O-N 3.37Å; E562-K564 VanDerWaalsContact C-N 3.32Å; E562-K564 PolarHBondContact O-N 3.1Å; K564-A566 VanDerWaalsContact C-N 3.34Å; K564-E567 PolarHBondContact O-N 2.91Å; K564-Y568 WeakPolarHBondContact O-CB 3.2Å; K564-Y568 PolarHBondContact O-N 3.22Å |
| 565 | G | 92.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I525 E561 E562 E563 Y568 V569 | I525-G565 WeakPolarHBondContact CD1-O 3.43Å; E561-G565 PolarHBondContact O-N 3.18Å; E562-G565 CarbonylContact O-C 3.6Å; E562-G565 WeakPolarHBondContact O-CA 3.43Å; E562-G565 PolarHBondContact O-N 2.97Å; E562-G565 VanDerWaalsContact O-N 3.11Å; E563-G565 VanDerWaalsContact C-N 3.3Å; E563-G565 PolarHBondContact O-N 3.3Å; G565-Y568 WeakPolarHBondContact O-CB 3.43Å; G565-Y568 PolarHBondContact O-N 2.92Å; G565-V569 PolarHBondContact O-N 2.96Å |
| 566 | A | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V515 V540 V542 I552 E562 E563 K564 Y568 V569 A570 | V515-A566 HydrophobicContact CG2-CB 4.12Å; V540-A566 HydrophobicContact CB-CB 4.3Å; V540-A566 HydrophobicContact CG1-CB 3.42Å; V540-A566 VanDerWaalsContact CG1-CB 3.42Å; V542-A566 HydrophobicContact CG2-CB 3.56Å; I552-A566 HydrophobicContact CD1-CB 4.31Å; I552-A566 HydrophobicContact CG1-CB 4.38Å; I552-A566 HydrophobicContact CG2-CB 3.92Å; E562-A566 PolarHBondContact O-N 3.25Å; E563-A566 WeakPolarHBondContact O-CB 3.5Å; E563-A566 PolarHBondContact O-N 3.11Å; K564-A566 VanDerWaalsContact C-N 3.34Å; A566-Y568 VanDerWaalsContact C-N 3.32Å; A566-Y568 PolarHBondContact O-N 2.58Å; A566-V569 WeakPolarHBondContact O-CG1 3.18Å; A566-V569 PolarHBondContact O-N 2.82Å; A566-A570 VanDerWaalsContact O-CB 3.31Å; A566-A570 WeakPolarHBondContact O-CB 3.44Å; A566-A570 PolarHBondContact O-N 3.15Å |
| 567 | E | 94.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 54.3 Ų | 54.3 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 173.1 | -70.6 | 178.1 | 178.5 | 0 | 0 | 111.7 | I552 E563 K564 A570 S571 R579 | I552-E567 HydrophobicContact CD1-CG 4.14Å; E563-E567 WeakPolarHBondContact O-CG 3.17Å; E563-E567 PolarHBondContact O-N 2.94Å; K564-E567 PolarHBondContact O-N 2.91Å; E567-A570 PolarHBondContact O-N 2.67Å; E567-S571 PolarHBondContact O-N 2.92Å; E567-R579 IonicContact OE1-NH1 2.76Å; E567-R579 PolarHBondContact OE1-NH1 2.94Å |
| 568 | Y | 93.5 | Very high | 92.4 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -54 | 175.7 | -177.6 | -92 | 0 | 0 | 0 | 111.5 | P490 I492 I525 K564 G565 A566 A570 S571 V572 | P490-Y568 HydrophobicContact CB-CD1 4.26Å; P490-Y568 HydrophobicContact CG-CD1 3.76Å; P490-Y568 HydrophobicContact CG-CE1 4.28Å; P490-Y568 HydrophobicContact CG-CG 3.95Å; I492-Y568 HydrophobicContact CD1-CD1 4.14Å; I492-Y568 HydrophobicContact CD1-CE1 3.8Å; I492-Y568 HydrophobicContact CG1-CE1 4.49Å; I525-Y568 HydrophobicContact CD1-CD1 4.47Å; K564-Y568 WeakPolarHBondContact O-CB 3.2Å; K564-Y568 PolarHBondContact O-N 3.22Å; G565-Y568 WeakPolarHBondContact O-CB 3.43Å; G565-Y568 PolarHBondContact O-N 2.92Å; A566-Y568 VanDerWaalsContact C-N 3.32Å; A566-Y568 PolarHBondContact O-N 2.58Å; Y568-A570 VanDerWaalsContact C-N 3.35Å; Y568-A570 PolarHBondContact O-N 2.96Å; Y568-S571 WeakPolarHBondContact O-CB 3.5Å; Y568-S571 PolarHBondContact O-N 2.85Å; Y568-S571 VanDerWaalsContact O-N 3.12Å; Y568-S571 PolarHBondContact O-OG 2.79Å; Y568-V572 HydrophobicContact CD1-CG2 4.12Å; Y568-V572 HydrophobicContact CE1-CG2 3.78Å; Y568-V572 WeakPolarHBondContact O-CG2 3.32Å; Y568-V572 PolarHBondContact O-N 2.81Å |
| 569 | V | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67 | -34.9 | -179.8 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | I492 F513 V515 I525 V542 G565 A566 S571 V572 L573 | I492-V569 HydrophobicContact CD1-CG2 4.28Å; F513-V569 HydrophobicContact CD1-CG2 4.23Å; F513-V569 HydrophobicContact CE1-CG2 4.42Å; F513-V569 HydrophobicContact CG-CG2 4.36Å; V515-V569 HydrophobicContact CG2-CG1 4.44Å; I525-V569 HydrophobicContact CD1-CB 3.79Å; I525-V569 HydrophobicContact CD1-CG1 4.12Å; I525-V569 HydrophobicContact CG2-CB 3.88Å; I525-V569 HydrophobicContact CG2-CG1 3.94Å; I525-V569 HydrophobicContact CG2-CG2 3.85Å; V542-V569 HydrophobicContact CB-CG1 4.09Å; V542-V569 HydrophobicContact CG1-CG1 4.43Å; V542-V569 HydrophobicContact CG2-CG1 3.59Å; G565-V569 PolarHBondContact O-N 2.96Å; A566-V569 WeakPolarHBondContact O-CG1 3.18Å; A566-V569 PolarHBondContact O-N 2.82Å; V569-S571 VanDerWaalsContact C-N 3.25Å; V569-S571 PolarHBondContact O-N 2.94Å; V569-V572 PolarHBondContact O-N 3.18Å; V569-L573 HydrophobicContact CG2-CD1 3.88Å; V569-L573 HydrophobicContact CG2-CG 4.09Å; V569-L573 WeakPolarHBondContact O-CB 3.33Å; V569-L573 WeakPolarHBondContact O-CG 3.32Å; V569-L573 PolarHBondContact O-N 3.26Å |
| 570 | A | 94.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V542 A566 E567 Y568 L573 K574 C575 T577 | V542-A570 HydrophobicContact CG1-CB 4.39Å; A566-A570 VanDerWaalsContact O-CB 3.31Å; A566-A570 WeakPolarHBondContact O-CB 3.44Å; A566-A570 PolarHBondContact O-N 3.15Å; E567-A570 PolarHBondContact O-N 2.67Å; Y568-A570 VanDerWaalsContact C-N 3.35Å; Y568-A570 PolarHBondContact O-N 2.96Å; A570-L573 CarbonylContact O-C 3Å; A570-L573 PolarHBondContact O-N 3.2Å; A570-K574 PolarHBondContact O-N 3.38Å; A570-K574 VanDerWaalsContact O-N 3.09Å; A570-C575 PolarHBondContact O-N 2.86Å; A570-T577 HydrophobicContact CB-CG2 3.89Å |
| 571 | S | 93.7 | Very high | 93.7 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 54% | 0.538 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 175.8 | 82.6 | 0 | 0 | 0 | 0 | 112.9 | E567 Y568 V569 L573 K574 | E567-S571 PolarHBondContact O-N 2.92Å; Y568-S571 WeakPolarHBondContact O-CB 3.5Å; Y568-S571 PolarHBondContact O-N 2.85Å; Y568-S571 VanDerWaalsContact O-N 3.12Å; Y568-S571 PolarHBondContact O-OG 2.79Å; V569-S571 VanDerWaalsContact C-N 3.25Å; V569-S571 PolarHBondContact O-N 2.94Å; S571-L573 VanDerWaalsContact C-N 3.3Å; S571-L573 PolarHBondContact O-N 2.9Å; S571-K574 WeakPolarHBondContact O-CA 3.16Å; S571-K574 PolarHBondContact O-N 2.84Å |
| 572 | V | 91.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | I492 Y568 V569 K574 | I492-V572 HydrophobicContact CD1-CB 4.44Å; I492-V572 HydrophobicContact CD1-CG1 4.3Å; I492-V572 HydrophobicContact CD1-CG2 4.13Å; Y568-V572 HydrophobicContact CD1-CG2 4.12Å; Y568-V572 HydrophobicContact CE1-CG2 3.78Å; Y568-V572 WeakPolarHBondContact O-CG2 3.32Å; Y568-V572 PolarHBondContact O-N 2.81Å; V569-V572 PolarHBondContact O-N 3.18Å; V572-K574 PolarHBondContact O-N 3Å |
| 573 | L | 90.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -4.7 | 176.7 | -63.8 | 173.1 | 0 | 0 | 0 | 113.6 | F513 K544 V569 A570 S571 C575 | F513-L573 HydrophobicContact CD2-CD1 3.85Å; F513-L573 HydrophobicContact CE2-CD1 3.42Å; F513-L573 VanDerWaalsContact CE2-CD1 3.42Å; F513-L573 HydrophobicContact CE2-CD2 4.22Å; F513-L573 HydrophobicContact CE2-CG 4.43Å; F513-L573 HydrophobicContact CZ-CD1 3.98Å; F513-L573 HydrophobicContact CZ-CD2 4.06Å; K544-L573 HydrophobicContact CB-CD1 4.49Å; K544-L573 HydrophobicContact CD-CB 4.43Å; K544-L573 HydrophobicContact CD-CD1 4.48Å; V569-L573 HydrophobicContact CG2-CD1 3.88Å; V569-L573 HydrophobicContact CG2-CG 4.09Å; V569-L573 WeakPolarHBondContact O-CB 3.33Å; V569-L573 WeakPolarHBondContact O-CG 3.32Å; V569-L573 PolarHBondContact O-N 3.26Å; A570-L573 CarbonylContact O-C 3Å; A570-L573 PolarHBondContact O-N 3.2Å; S571-L573 VanDerWaalsContact C-N 3.3Å; S571-L573 PolarHBondContact O-N 2.9Å; L573-C575 HydrophobicContact CB-CB 4.08Å; L573-C575 PolarHBondContact O-N 3.11Å |
| 574 | K | 92.9 | Very high | 94.3 | Very high | 173 Ų | 173 | 65.5 Ų | 65.5 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.4 | -172.7 | -58.8 | 177.8 | -177.8 | 174.4 | 0 | 112 | N548 A570 S571 V572 | N548-K574 WeakPolarHBondContact CB-O 3.34Å; A570-K574 PolarHBondContact O-N 3.38Å; A570-K574 VanDerWaalsContact O-N 3.09Å; S571-K574 WeakPolarHBondContact O-CA 3.16Å; S571-K574 PolarHBondContact O-N 2.84Å; V572-K574 PolarHBondContact O-N 3Å |
| 575 | C | 93.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | trans | -97.7 | 126.5 | -174.7 | -173 | 0 | 0 | 0 | 0 | 110.3 | K544 N548 S549 A570 L573 T577 | K544-C575 HydrophobicContact CG-CB 4.41Å; N548-C575 CarbonylContact O-C 3.52Å; N548-C575 WeakPolarHBondContact O-CA 3.5Å; S549-C575 PolarHBondContact O-SG 2.75Å; A570-C575 PolarHBondContact O-N 2.86Å; L573-C575 HydrophobicContact CB-CB 4.08Å; L573-C575 PolarHBondContact O-N 3.11Å; C575-T577 HydrophobicContact CB-CG2 4.35Å; C575-T577 PolarHBondContact O-N 3.38Å | ||
| 576 | K | 95.3 | Very high | 94.7 | Very high | 176 Ų | 176 | 63.1 Ų | 63.1 | 77% | 0.765 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.7 | 170.2 | -174.9 | -178.9 | 179.1 | -175.4 | 0 | 108.9 | N548 S549 G550 | N548-K576 PolarHBondContact O-N 3.24Å; S549-K576 CarbonylContact C-O 3.57Å; S549-K576 VanDerWaalsContact CA-O 3.28Å; S549-K576 WeakPolarHBondContact CA-O 3.42Å; G550-K576 PolarHBondContact N-O 2.61Å |
| 577 | T | 95.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 71.2 Ų | 71.2 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 147.4 | -173.8 | 53 | 0 | 0 | 0 | 0 | 113.1 | V542 G550 I552 A570 C575 | V542-T577 HydrophobicContact CG1-CG2 4.34Å; G550-T577 CarbonylContact O-C 3.59Å; G550-T577 VanDerWaalsContact O-CA 3.28Å; G550-T577 WeakPolarHBondContact O-CA 3.37Å; I552-T577 WeakPolarHBondContact CD1-OG1 3.17Å; I552-T577 HydrophobicContact CG1-CG2 4.06Å; A570-T577 HydrophobicContact CB-CG2 3.89Å; C575-T577 HydrophobicContact CB-CG2 4.35Å; C575-T577 PolarHBondContact O-N 3.38Å |
| 578 | L | 96.4 | Very high | 94.7 | Very high | 106 Ų | 106 | 72.1 Ų | 72.1 | 56% | 0.555 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.1 | 164.5 | -177.3 | 71 | 0 | 0 | 0 | 109.1 | G550 Y551 I552 I580 | G550-L578 PolarHBondContact O-N 3.04Å; Y551-L578 CarbonylContact C-O 3.51Å; Y551-L578 VanDerWaalsContact CA-O 3.25Å; Y551-L578 WeakPolarHBondContact CA-O 3.21Å; Y551-L578 HydrophobicContact CD1-CB 3.98Å; Y551-L578 HydrophobicContact CD1-CD2 4.38Å; Y551-L578 HydrophobicContact CE1-CB 4.28Å; Y551-L578 HydrophobicContact CE1-CD2 4.1Å; I552-L578 PolarHBondContact N-O 3.33Å; L578-I580 HydrophobicContact CD2-CG2 4.28Å; L578-I580 HydrophobicContact CG-CG2 4.38Å |
| 579 | R | 97.2 | Very high | 94.8 | Very high | 113 Ų | 113 | 69 Ų | 69 | 43% | 0.426 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129 | 176.2 | -65.9 | 173.9 | 63.7 | 131.7 | -0.7 | 109.4 | I552 E563 E567 | I552-R579 HydrophobicContact CB-CG 4.32Å; I552-R579 WeakPolarHBondContact O-CA 3.49Å; E563-R579 VanDerWaalsContact CD-NH2 3.29Å; E563-R579 IonicContact OE1-NH2 3.98Å; E563-R579 IonicContact OE2-CZ 2.89Å; E563-R579 IonicContact OE2-NH1 3.05Å; E563-R579 IonicContact OE2-NH2 3.9Å; E563-R579 PolarHBondContact OE2-NH2 2.95Å; E567-R579 IonicContact OE1-NH1 2.76Å; E567-R579 PolarHBondContact OE1-NH1 2.94Å |
| 580 | I | 97.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.4 | 177.7 | 62.2 | 178.7 | 0 | 0 | 0 | 109.3 | Y551 I552 W553 I554 L578 E585 F589 | Y551-I580 HydrophobicContact CD1-CD1 4.09Å; Y551-I580 HydrophobicContact CD1-CG2 4.03Å; Y551-I580 HydrophobicContact CG-CD1 4.12Å; I552-I580 PolarHBondContact O-N 2.95Å; W553-I580 WeakPolarHBondContact CA-O 3.12Å; W553-I580 HydrophobicContact CB-CD1 4.19Å; W553-I580 HydrophobicContact CB-CG1 3.99Å; W553-I580 HydrophobicContact CG-CD1 4.42Å; W553-I580 HydrophobicContact CG-CG1 4.31Å; I554-I580 PolarHBondContact N-O 3.44Å; L578-I580 HydrophobicContact CD2-CG2 4.28Å; L578-I580 HydrophobicContact CG-CG2 4.38Å; I580-E585 HydrophobicContact CD1-CB 4.4Å; I580-E585 HydrophobicContact CD1-CG 4.22Å; I580-F589 HydrophobicContact CD1-CB 4.3Å; I580-F589 HydrophobicContact CD1-CD1 4.34Å; I580-F589 HydrophobicContact CD1-CD2 3.46Å; I580-F589 VanDerWaalsContact CD1-CD2 3.46Å; I580-F589 HydrophobicContact CD1-CE2 3.75Å; I580-F589 HydrophobicContact CD1-CG 3.79Å; I580-F589 HydrophobicContact CD1-CZ 4.28Å |
| 581 | Q | 96.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 73.7 Ų | 73.7 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 147.9 | 175.8 | -64.4 | -65.2 | -21 | 0 | 0 | 109.6 | G583 E584 | Q581-G583 PolarHBondContact O-N 3.47Å; Q581-E584 HydrophobicContact CB-CG 4.49Å; Q581-E584 PolarHBondContact O-N 2.69Å |
| 582 | E | 94.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 71.7 Ų | 71.7 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 127 | 169.9 | 175.3 | -178.6 | 160 | 0 | 0 | 111.1 | S537 W553 I554 G555 K556 E585 Y599 | S537-E582 WeakPolarHBondContact CA-OE2 3.38Å; S537-E582 WeakPolarHBondContact CB-OE2 3.48Å; S537-E582 PolarHBondContact OG-OE1 2.76Å; S537-E582 PolarHBondContact OG-OE2 3.36Å; W553-E582 HydrophobicContact CH2-CB 4.24Å; W553-E582 HydrophobicContact CH2-CG 4.26Å; W553-E582 HydrophobicContact CZ2-CB 3.62Å; W553-E582 HydrophobicContact CZ2-CG 3.63Å; I554-E582 PolarHBondContact O-N 3.13Å; G555-E582 WeakPolarHBondContact CA-OE2 3.46Å; K556-E582 HydrophobicContact CD-CG 4.45Å; K556-E582 WeakPolarHBondContact CE-OE1 3.4Å; K556-E582 HydrophobicContact CG-CB 4.15Å; K556-E582 HydrophobicContact CG-CG 4.25Å; K556-E582 WeakPolarHBondContact CG-OE2 3.36Å; K556-E582 PolarHBondContact N-OE2 3.44Å; K556-E582 IonicContact NZ-OE1 2.74Å; K556-E582 PolarHBondContact NZ-OE1 3.33Å; K556-E582 VanDerWaalsContact NZ-OE1 3.11Å; E582-E585 WeakPolarHBondContact CA-OE1 3.5Å; E582-Y599 WeakPolarHBondContact CG-OH 3.45Å |
| 583 | G | 93.7 | Very high | 95.1 | Very high | 61 Ų | 61 | 69.7 Ų | 69.7 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -10.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q581 E585 | Q581-G583 PolarHBondContact O-N 3.47Å; G583-E585 VanDerWaalsContact C-OE2 3.3Å; G583-E585 VanDerWaalsContact CA-OE2 3.29Å; G583-E585 WeakPolarHBondContact CA-OE2 3.39Å; G583-E585 PolarHBondContact N-OE1 2.86Å; G583-E585 PolarHBondContact N-OE2 2.86Å |
| 584 | E | 95.7 | Very high | 95.2 | Very high | 149 Ų | 149 | 72.1 Ų | 72.1 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | trans | -110.4 | 23.8 | 177.9 | -60.2 | -171.1 | 162.2 | 0 | 0 | 112.5 | Q581 | Q581-E584 HydrophobicContact CB-CG 4.49Å; Q581-E584 PolarHBondContact O-N 2.69Å | ||
| 585 | E | 96.8 | Very high | 95.2 | Very high | 23 Ų | 23 | 65 Ų | 65 | 11% | 0.107 | 36% | 0.362 | C | S | . | . | trans | -75.5 | 134.8 | -171.7 | -50.3 | 87.5 | 168.7 | 0 | 0 | 112.5 | W553 I580 E582 G583 F589 W590 | W553-E585 PolarHBondContact NE1-OE1 3.03Å; I580-E585 HydrophobicContact CD1-CB 4.4Å; I580-E585 HydrophobicContact CD1-CG 4.22Å; E582-E585 WeakPolarHBondContact CA-OE1 3.5Å; G583-E585 VanDerWaalsContact C-OE2 3.3Å; G583-E585 VanDerWaalsContact CA-OE2 3.29Å; G583-E585 WeakPolarHBondContact CA-OE2 3.39Å; G583-E585 PolarHBondContact N-OE1 2.86Å; G583-E585 PolarHBondContact N-OE2 2.86Å; E585-F589 HydrophobicContact CB-CB 4.43Å; E585-F589 HydrophobicContact CB-CD1 3.73Å; E585-F589 HydrophobicContact CB-CE1 4.33Å; E585-F589 HydrophobicContact CB-CG 4.3Å; E585-F589 HydrophobicContact CG-CD1 3.9Å; E585-F589 HydrophobicContact CG-CE1 3.98Å; E585-W590 HydrophobicContact CB-CZ2 3.97Å; E585-W590 VanDerWaalsContact CD-CZ2 3.41Å; E585-W590 HydrophobicContact CG-CH2 4.49Å; E585-W590 HydrophobicContact CG-CZ2 3.73Å | ||
| 586 | P | 95.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | trans | -71.6 | 157.9 | 175.6 | 29.6 | -33.8 | 0 | 0 | 0 | 112 | Y551 E588 F589 W590 | Y551-P586 HydrophobicContact CE1-CG 3.91Å; P586-E588 PolarHBondContact O-N 2.85Å; P586-F589 HydrophobicContact CG-CB 3.9Å; P586-F589 VanDerWaalsContact O-CB 3.32Å; P586-F589 WeakPolarHBondContact O-CB 3.3Å; P586-F589 PolarHBondContact O-N 2.84Å; P586-W590 PolarHBondContact O-N 3.24Å | ||
| 587 | E | 94.7 | Very high | 94.9 | Very high | 171 Ų | 171 | 66.5 Ų | 66.5 | 80% | 0.799 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.6 | -32.1 | 178.4 | -169.2 | 178.3 | -176.3 | 0 | 0 | 112.9 | F589 W590 S591 | E587-F589 VanDerWaalsContact C-N 3.3Å; E587-F589 PolarHBondContact O-N 2.99Å; E587-W590 PolarHBondContact O-N 2.98Å; E587-S591 WeakPolarHBondContact O-CB 3.31Å; E587-S591 PolarHBondContact O-N 3.33Å; E587-S591 PolarHBondContact O-OG 2.72Å |
| 588 | E | 95 | Very high | 94.5 | Very high | 114 Ų | 114 | 70.9 Ų | 70.9 | 53% | 0.533 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 174.7 | -175.7 | 176.7 | -165.7 | 0 | 0 | 112.4 | Y551 P586 S591 S592 | Y551-E588 PolarHBondContact OH-OE2 3.48Å; Y551-E588 VanDerWaalsContact OH-OE2 3.05Å; P586-E588 PolarHBondContact O-N 2.85Å; E588-S591 VanDerWaalsContact CA-OG 3.32Å; E588-S591 WeakPolarHBondContact CA-OG 3.48Å; E588-S591 PolarHBondContact O-OG 3.07Å; E588-S591 VanDerWaalsContact O-OG 3.11Å; E588-S592 VanDerWaalsContact O-CB 3.31Å; E588-S592 WeakPolarHBondContact O-CB 3.04Å; E588-S592 PolarHBondContact O-N 3.17Å; E588-S592 PolarHBondContact O-OG 2.82Å |
| 589 | F | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 177.1 | 174.8 | -94.7 | 0 | 0 | 0 | 110.3 | L535 L543 Y551 W553 I580 E585 P586 E587 S592 L593 | L535-F589 HydrophobicContact CD1-CE1 3.93Å; L535-F589 HydrophobicContact CD1-CZ 4.01Å; L535-F589 HydrophobicContact CD2-CZ 4.38Å; L543-F589 HydrophobicContact CB-CE2 4.2Å; L543-F589 HydrophobicContact CD2-CD2 3.66Å; L543-F589 HydrophobicContact CD2-CE2 3.81Å; L543-F589 HydrophobicContact CD2-CG 4.49Å; Y551-F589 HydrophobicContact CD2-CB 4.38Å; Y551-F589 AromaticContact CD2-CD2 3.72Å; Y551-F589 HydrophobicContact CD2-CD2 3.72Å; Y551-F589 HydrophobicContact CE2-CB 4.19Å; Y551-F589 HydrophobicContact CE2-CD2 4.35Å; Y551-F589 AromaticContact CG-CD2 3.93Å; Y551-F589 HydrophobicContact CG-CD2 3.93Å; W553-F589 HydrophobicContact CB-CE2 3.97Å; W553-F589 HydrophobicContact CB-CZ 3.89Å; W553-F589 AromaticContact CD1-CE1 3.86Å; W553-F589 AromaticContact CD1-CZ 3.56Å; W553-F589 HydrophobicContact CG-CE1 4.49Å; W553-F589 HydrophobicContact CG-CE2 4.33Å; W553-F589 AromaticContact CG-CZ 3.79Å; W553-F589 HydrophobicContact CG-CZ 3.79Å; I580-F589 HydrophobicContact CD1-CB 4.3Å; I580-F589 HydrophobicContact CD1-CD1 4.34Å; I580-F589 HydrophobicContact CD1-CD2 3.46Å; I580-F589 VanDerWaalsContact CD1-CD2 3.46Å; I580-F589 HydrophobicContact CD1-CE2 3.75Å; I580-F589 HydrophobicContact CD1-CG 3.79Å; I580-F589 HydrophobicContact CD1-CZ 4.28Å; E585-F589 HydrophobicContact CB-CB 4.43Å; E585-F589 HydrophobicContact CB-CD1 3.73Å; E585-F589 HydrophobicContact CB-CE1 4.33Å; E585-F589 HydrophobicContact CB-CG 4.3Å; E585-F589 HydrophobicContact CG-CD1 3.9Å; E585-F589 HydrophobicContact CG-CE1 3.98Å; P586-F589 HydrophobicContact CG-CB 3.9Å; P586-F589 VanDerWaalsContact O-CB 3.32Å; P586-F589 WeakPolarHBondContact O-CB 3.3Å; P586-F589 PolarHBondContact O-N 2.84Å; E587-F589 VanDerWaalsContact C-N 3.3Å; E587-F589 PolarHBondContact O-N 2.99Å; F589-S592 PolarHBondContact O-N 3.22Å; F589-L593 HydrophobicContact CD1-CD1 4.15Å; F589-L593 HydrophobicContact CE1-CD1 3.55Å; F589-L593 HydrophobicContact CE2-CD1 4.26Å; F589-L593 HydrophobicContact CZ-CD1 3.62Å; F589-L593 PolarHBondContact O-N 3.29Å |
| 590 | W | 96.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 62 Ų | 62 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 179.3 | -67.1 | 120.4 | 0 | 0 | 0 | 112.8 | A532 L535 E585 P586 E587 S592 L593 G594 G595 K596 Y599 | A532-W590 HydrophobicContact CB-CE3 4.22Å; A532-W590 HydrophobicContact CB-CZ3 3.99Å; L535-W590 HydrophobicContact CD1-CH2 3.9Å; L535-W590 HydrophobicContact CD1-CZ3 3.77Å; E585-W590 HydrophobicContact CB-CZ2 3.97Å; E585-W590 VanDerWaalsContact CD-CZ2 3.41Å; E585-W590 HydrophobicContact CG-CH2 4.49Å; E585-W590 HydrophobicContact CG-CZ2 3.73Å; P586-W590 PolarHBondContact O-N 3.24Å; E587-W590 PolarHBondContact O-N 2.98Å; W590-S592 PolarHBondContact O-N 3.35Å; W590-L593 HydrophobicContact CE3-CD1 4.41Å; W590-L593 HydrophobicContact CZ3-CD1 4.4Å; W590-L593 PolarHBondContact O-N 3.13Å; W590-G594 PolarHBondContact O-N 2.91Å; W590-G595 CarbonylContact O-C 3.44Å; W590-G595 WeakPolarHBondContact O-CA 3.4Å; W590-G595 PolarHBondContact O-N 3.33Å; W590-K596 HydrophobicContact CB-CB 4.25Å; W590-K596 HydrophobicContact CD2-CB 3.77Å; W590-K596 HydrophobicContact CD2-CD 4.2Å; W590-K596 HydrophobicContact CD2-CG 3.85Å; W590-K596 HydrophobicContact CE3-CB 3.98Å; W590-K596 HydrophobicContact CE3-CG 4.02Å; W590-K596 HydrophobicContact CG-CB 3.89Å; W590-K596 HydrophobicContact CG-CG 4.38Å; W590-K596 HydrophobicContact CH2-CG 4.36Å; W590-K596 HydrophobicContact CZ2-CD 4.15Å; W590-K596 HydrophobicContact CZ2-CG 4.18Å; W590-K596 HydrophobicContact CZ3-CG 4.28Å; W590-Y599 HydrophobicContact CH2-CD1 4.38Å; W590-Y599 AromaticContact CH2-CE1 3.81Å; W590-Y599 HydrophobicContact CH2-CE1 3.81Å |
| 591 | S | 94.6 | Very high | 92.8 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -29.4 | 177.9 | 53.9 | 0 | 0 | 0 | 0 | 113 | E587 E588 L593 G594 | E587-S591 WeakPolarHBondContact O-CB 3.31Å; E587-S591 PolarHBondContact O-N 3.33Å; E587-S591 PolarHBondContact O-OG 2.72Å; E588-S591 VanDerWaalsContact CA-OG 3.32Å; E588-S591 WeakPolarHBondContact CA-OG 3.48Å; E588-S591 PolarHBondContact O-OG 3.07Å; E588-S591 VanDerWaalsContact O-OG 3.11Å; S591-L593 VanDerWaalsContact C-N 3.3Å; S591-L593 PolarHBondContact O-N 3.06Å; S591-G594 PolarHBondContact O-N 3.14Å |
| 592 | S | 94 | Very high | 91.6 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.3 | -19.2 | 174.5 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | V530 L545 E588 F589 W590 | V530-S592 WeakPolarHBondContact CG1-O 3.2Å; L545-S592 WeakPolarHBondContact CD2-OG 3.15Å; E588-S592 VanDerWaalsContact O-CB 3.31Å; E588-S592 WeakPolarHBondContact O-CB 3.04Å; E588-S592 PolarHBondContact O-N 3.17Å; E588-S592 PolarHBondContact O-OG 2.82Å; F589-S592 PolarHBondContact O-N 3.22Å; W590-S592 PolarHBondContact O-N 3.35Å |
| 593 | L | 94.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 11.2 | 175.5 | -66.5 | 178.4 | 0 | 0 | 0 | 112.9 | L512 V530 A532 L535 L543 F589 W590 S591 G595 | L512-L593 HydrophobicContact CD1-CD2 4.47Å; L512-L593 HydrophobicContact CD2-CD2 4Å; V530-L593 HydrophobicContact CG1-CD2 3.94Å; A532-L593 HydrophobicContact CB-CB 4.26Å; A532-L593 PolarHBondContact N-O 3.31Å; L535-L593 HydrophobicContact CD1-CD1 3.98Å; L535-L593 HydrophobicContact CG-CD1 4.42Å; L543-L593 HydrophobicContact CD1-CD2 3.91Å; L543-L593 HydrophobicContact CD2-CD2 4.05Å; L543-L593 HydrophobicContact CD2-CG 4.08Å; F589-L593 HydrophobicContact CD1-CD1 4.15Å; F589-L593 HydrophobicContact CE1-CD1 3.55Å; F589-L593 HydrophobicContact CE2-CD1 4.26Å; F589-L593 HydrophobicContact CZ-CD1 3.62Å; F589-L593 PolarHBondContact O-N 3.29Å; W590-L593 HydrophobicContact CE3-CD1 4.41Å; W590-L593 HydrophobicContact CZ3-CD1 4.4Å; W590-L593 PolarHBondContact O-N 3.13Å; S591-L593 VanDerWaalsContact C-N 3.3Å; S591-L593 PolarHBondContact O-N 3.06Å; L593-G595 VanDerWaalsContact C-N 3.33Å |
| 594 | G | 92.6 | Very high | 88.6 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 76% | 0.763 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -0.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | W590 S591 | W590-G594 PolarHBondContact O-N 2.91Å; S591-G594 PolarHBondContact O-N 3.14Å |
| 595 | G | 93.4 | Very high | 86.9 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 24% | 0.237 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 135.9 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A532 W590 L593 | A532-G595 WeakPolarHBondContact CB-O 3.33Å; W590-G595 CarbonylContact O-C 3.44Å; W590-G595 WeakPolarHBondContact O-CA 3.4Å; W590-G595 PolarHBondContact O-N 3.33Å; L593-G595 VanDerWaalsContact C-N 3.33Å |
| 596 | K | 92.3 | Very high | 85.1 | Confident | 141 Ų | 141 | 58.5 Ų | 58.5 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | trans | -95.7 | 120.7 | 168.4 | -176.5 | 173.1 | -177.5 | 167.9 | 0 | 108.4 | W590 | W590-K596 HydrophobicContact CB-CB 4.25Å; W590-K596 HydrophobicContact CD2-CB 3.77Å; W590-K596 HydrophobicContact CD2-CD 4.2Å; W590-K596 HydrophobicContact CD2-CG 3.85Å; W590-K596 HydrophobicContact CE3-CB 3.98Å; W590-K596 HydrophobicContact CE3-CG 4.02Å; W590-K596 HydrophobicContact CG-CB 3.89Å; W590-K596 HydrophobicContact CG-CG 4.38Å; W590-K596 HydrophobicContact CH2-CG 4.36Å; W590-K596 HydrophobicContact CZ2-CD 4.15Å; W590-K596 HydrophobicContact CZ2-CG 4.18Å; W590-K596 HydrophobicContact CZ3-CG 4.28Å | ||
| 597 | E | 89.8 | Confident | 83.1 | Confident | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | trans | -131.7 | 174.9 | 180 | -58.9 | -174.2 | 129.7 | 0 | 0 | 110.1 | A532 H533 | A532-E597 HydrophobicContact CB-CB 4.04Å; H533-E597 IonicContact CE1-OE1 3.96Å; H533-E597 IonicContact CE1-OE2 2.74Å; H533-E597 PolarHBondContact CE1-OE2 3.42Å; H533-E597 IonicContact ND1-OE2 3.43Å; H533-E597 PolarHBondContact ND1-OE2 2.66Å; H533-E597 IonicContact NE2-OE2 3.68Å | ||
| 598 | D | 87 | Confident | 80.9 | Confident | 135 Ų | 135 | 61.1 Ų | 61.1 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | trans | -73.5 | 138.6 | 178.8 | -68.4 | -27.8 | 0 | 0 | 0 | 110 | H533 P701 | H533-D598 PolarHBondContact CD2-O 3.19Å; D598-P701 WeakPolarHBondContact O-CG 3.13Å | ||
| 599 | Y | 88.4 | Confident | 78.4 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 12% | 0.122 | 34% | 0.339 | C | S | . | . | trans | -138.6 | 175.8 | 177.9 | 63.7 | -90 | 0 | 0 | 0 | 110.2 | A532 L535 W553 E582 W590 T601 | A532-Y599 WeakPolarHBondContact O-CB 3.22Å; L535-Y599 HydrophobicContact CB-CD2 3.79Å; L535-Y599 HydrophobicContact CB-CE2 4.44Å; L535-Y599 HydrophobicContact CB-CG 3.84Å; L535-Y599 WeakPolarHBondContact O-CB 3.22Å; W553-Y599 AromaticContact CH2-CE2 3.89Å; W553-Y599 HydrophobicContact CH2-CE2 3.89Å; W553-Y599 AromaticContact CZ2-CE2 3.83Å; W553-Y599 HydrophobicContact CZ2-CE2 3.83Å; E582-Y599 WeakPolarHBondContact CG-OH 3.45Å; W590-Y599 HydrophobicContact CH2-CD1 4.38Å; W590-Y599 AromaticContact CH2-CE1 3.81Å; W590-Y599 HydrophobicContact CH2-CE1 3.81Å; Y599-T601 HydrophobicContact CD2-CG2 3.56Å; Y599-T601 HydrophobicContact CE2-CG2 3.26Å; Y599-T601 HydrophobicContact CG-CG2 4.3Å; Y599-T601 PolarHBondContact O-N 2.96Å | ||
| 600 | Q | 84 | Confident | 76.3 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 1% | 0.014 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 114.8 | -175 | 174.5 | 63.3 | -83.1 | 0 | 0 | 111.5 | L535 N536 S537 L605 T702 | L535-Q600 PolarHBondContact O-N 3.29Å; N536-Q600 WeakPolarHBondContact CA-O 3.34Å; N536-Q600 HydrophobicContact CB-CB 4.38Å; S537-Q600 PolarHBondContact N-O 3.21Å; S537-Q600 PolarHBondContact OG-O 2.86Å; Q600-L605 HydrophobicContact CG-CD1 3.34Å; Q600-T702 VanDerWaalsContact NE2-CA 3.29Å; Q600-T702 PolarHBondContact NE2-O 2.93Å |
| 601 | T | 81.9 | Confident | 74 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | trans | -134 | 27.5 | -179.5 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | S537 Y599 | S537-T601 WeakPolarHBondContact OG-CA 3.3Å; S537-T601 WeakPolarHBondContact OG-CB 3.38Å; S537-T601 WeakPolarHBondContact OG-CG2 3.4Å; Y599-T601 HydrophobicContact CD2-CG2 3.56Å; Y599-T601 HydrophobicContact CE2-CG2 3.26Å; Y599-T601 HydrophobicContact CG-CG2 4.3Å; Y599-T601 PolarHBondContact O-N 2.96Å | ||
| 602 | S | 71.1 | Confident | 72.4 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 8% | 0.077 | 39% | 0.39 | C | S | . | . | trans | -54.8 | 136.4 | -178.2 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | L604 L605 E652 | S602-L604 PolarHBondContact O-N 3.39Å; S602-L604 VanDerWaalsContact O-N 3.12Å; S602-L605 VanDerWaalsContact O-CB 3.22Å; S602-L605 WeakPolarHBondContact O-CB 3.27Å; S602-L605 PolarHBondContact O-N 2.7Å; S602-E652 PolarHBondContact OG-OE2 3.03Å | ||
| 603 | P | 65.1 | Low | 70.8 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.8 | -28.6 | 179.5 | -26.9 | 34.6 | 0 | 0 | 0 | 115 | L605 E606 T607 | P603-L605 PolarHBondContact O-N 3.2Å; P603-E606 WeakPolarHBondContact O-CB 3.43Å; P603-E606 PolarHBondContact O-N 3.5Å; P603-T607 PolarHBondContact O-N 3.44Å |
| 604 | L | 61 | Low | 69.7 | Low | 34 Ų | 34 | 74.3 Ų | 74.3 | 18% | 0.178 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.5 | -27.2 | 173.8 | -83.8 | 152.4 | 0 | 0 | 0 | 113.4 | S602 E606 T607 A650 W651 E652 | S602-L604 PolarHBondContact O-N 3.39Å; S602-L604 VanDerWaalsContact O-N 3.12Å; L604-E606 VanDerWaalsContact C-N 3.34Å; L604-T607 WeakPolarHBondContact CA-OG1 3.43Å; L604-T607 PolarHBondContact O-N 3.35Å; L604-T607 PolarHBondContact O-OG1 3.16Å; L604-A650 WeakPolarHBondContact CD1-O 3.48Å; L604-W651 HydrophobicContact CD1-CB 4.01Å; L604-W651 HydrophobicContact CD2-CB 4.25Å; L604-W651 HydrophobicContact CD2-CG 4.45Å; L604-E652 HydrophobicContact CD1-CB 3.84Å; L604-E652 HydrophobicContact CD1-CG 3.55Å; L604-E652 HydrophobicContact CG-CG 4.2Å |
| 605 | L | 60.2 | Low | 68.8 | Low | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -78.4 | -23.1 | 177.8 | -57.3 | 173.6 | 0 | 0 | 0 | 111.6 | N536 N538 G557 Q600 S602 P603 W706 | N536-L605 WeakPolarHBondContact OD1-CD1 3.26Å; N538-L605 HydrophobicContact CB-CB 3.9Å; N538-L605 HydrophobicContact CB-CD1 4.41Å; N538-L605 HydrophobicContact CB-CD2 3.91Å; N538-L605 HydrophobicContact CB-CG 4.26Å; N538-L605 PolarHBondContact OD1-O 2.92Å; G557-L605 WeakPolarHBondContact CA-O 3.33Å; Q600-L605 HydrophobicContact CG-CD1 3.34Å; S602-L605 VanDerWaalsContact O-CB 3.22Å; S602-L605 WeakPolarHBondContact O-CB 3.27Å; S602-L605 PolarHBondContact O-N 2.7Å; P603-L605 PolarHBondContact O-N 3.2Å; L605-W706 HydrophobicContact CD2-CE3 4.29Å; L605-W706 HydrophobicContact CD2-CH2 3.49Å; L605-W706 VanDerWaalsContact CD2-CH2 3.49Å; L605-W706 HydrophobicContact CD2-CZ2 4.22Å; L605-W706 HydrophobicContact CD2-CZ3 3.52Å; L605-W706 HydrophobicContact CG-CH2 4.26Å |
| 606 | E | 59.8 | Low | 68 | Low | 87 Ų | 87 | 73 Ų | 73 | 41% | 0.407 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -82.2 | -17.7 | 174.5 | -57 | -175 | 174.5 | 0 | 0 | 111.7 | K556 P603 L604 | K556-E606 HydrophobicContact CB-CG 4.1Å; K556-E606 HydrophobicContact CD-CG 4.31Å; K556-E606 WeakPolarHBondContact CD-OE1 3.31Å; K556-E606 IonicContact NZ-OE1 2.81Å; K556-E606 PolarHBondContact NZ-OE1 3.44Å; K556-E606 VanDerWaalsContact NZ-OE1 3.09Å; P603-E606 WeakPolarHBondContact O-CB 3.43Å; P603-E606 PolarHBondContact O-N 3.5Å; L604-E606 VanDerWaalsContact C-N 3.34Å |
| 607 | T | 53.9 | Low | 67.2 | Low | 79 Ų | 79 | 67.3 Ų | 67.3 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | trans | -88.2 | 119.3 | -179.5 | 47 | 0 | 0 | 0 | 0 | 112.6 | P603 L604 A609 | P603-T607 PolarHBondContact O-N 3.44Å; L604-T607 WeakPolarHBondContact CA-OG1 3.43Å; L604-T607 PolarHBondContact O-N 3.35Å; L604-T607 PolarHBondContact O-OG1 3.16Å; T607-A609 PolarHBondContact O-N 2.86Å; T607-A609 VanDerWaalsContact O-N 3.1Å | ||
| 608 | Q | 47.6 | Very low | 66.1 | Low | 193 Ų | 193 | 64.2 Ų | 64.2 | 90% | 0.902 | 35% | 0.346 | S | S | * | . | trans | -68.5 | -2.2 | 172.9 | -65.7 | -172.9 | -9.6 | 0 | 0 | 114.4 | E610 | Q608-E610 PolarHBondContact O-N 3.1Š| ||
| 609 | A | 42.8 | Very low | 65.3 | Low | 55 Ų | 55 | 57.8 Ų | 57.8 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | trans | -83.3 | 111.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T607 D611 | T607-A609 PolarHBondContact O-N 2.86Å; T607-A609 VanDerWaalsContact O-N 3.1Å; A609-D611 PolarHBondContact O-N 2.83Å | ||
| 610 | E | 51.6 | Low | 63.6 | Low | 152 Ų | 152 | 56.9 Ų | 56.9 | 71% | 0.71 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 20.1 | 172.6 | -65 | -176.5 | 161.9 | 0 | 0 | 113.5 | Q608 H612 P613 | Q608-E610 PolarHBondContact O-N 3.1Å; E610-H612 PolarHBondContact O-N 2.83Å; E610-H612 VanDerWaalsContact O-N 3.16Å; E610-P613 WeakPolarHBondContact O-CD 3.45Å |
| 611 | D | 49 | Very low | 61.8 | Low | 124 Ų | 124 | 57.8 Ų | 57.8 | 66% | 0.663 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.2 | -167.6 | -67.5 | -19.8 | 0 | 0 | 0 | 111.7 | A609 | A609-D611 PolarHBondContact O-N 2.83Š|
| 612 | H | 59.6 | Low | 59.9 | Low | 74 Ų | 74 | 58.7 Ų | 58.7 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -143.5 | 75.4 | -177.7 | -53.9 | -58.5 | 0 | 0 | 0 | 112.2 | E610 W651 | E610-H612 PolarHBondContact O-N 2.83Å; E610-H612 VanDerWaalsContact O-N 3.16Å; H612-W651 HydrophobicContact CB-CB 3.85Å; H612-W651 HydrophobicContact CB-CD2 3.48Å; H612-W651 VanDerWaalsContact CB-CD2 3.48Å; H612-W651 HydrophobicContact CB-CE3 3.65Å; H612-W651 HydrophobicContact CB-CG 3.57Å; H612-W651 HydrophobicContact CB-CZ3 4.34Å; H612-W651 AromaticContact CD2-CD1 3.98Å; H612-W651 AromaticContact CD2-CD2 3.59Å; H612-W651 AromaticContact CD2-CE2 3.2Å; H612-W651 AromaticContact CD2-CH2 3.92Å; H612-W651 AromaticContact CD2-CZ2 3.4Å; H612-W651 VanDerWaalsContact CD2-CZ2 3.4Å; H612-W651 WeakPolarHBondContact CD2-CZ2 3.26Å; H612-W651 AromaticContact CD2-NE1 3.47Å; H612-W651 PolarHBondContact CD2-NE1 3.15Å; H612-W651 AromaticContact CE1-CE2 3.98Å; H612-W651 AromaticContact CE1-CH2 3.23Å; H612-W651 WeakPolarHBondContact CE1-CH2 3.38Å; H612-W651 AromaticContact CE1-CZ2 3.42Å; H612-W651 VanDerWaalsContact CE1-CZ2 3.42Å; H612-W651 WeakPolarHBondContact CE1-CZ2 3.48Å; H612-W651 AromaticContact CE1-CZ3 3.7Å; H612-W651 AromaticContact CG-CD2 3.3Å; H612-W651 AromaticContact CG-CE2 3.44Å; H612-W651 VanDerWaalsContact CG-CE2 3.44Å; H612-W651 AromaticContact CG-CE3 3.47Å; H612-W651 VanDerWaalsContact CG-CE3 3.47Å; H612-W651 AromaticContact CG-CG 3.85Å; H612-W651 AromaticContact CG-CH2 3.81Å; H612-W651 AromaticContact CG-CZ2 3.71Å; H612-W651 AromaticContact CG-CZ3 3.71Å; H612-W651 AromaticContact CG-NE1 3.99Å; H612-W651 AromaticContact ND1-CD2 3.84Å; H612-W651 AromaticContact ND1-CE2 3.91Å; H612-W651 AromaticContact ND1-CE3 3.56Å; H612-W651 AromaticContact ND1-CH2 3.37Å; H612-W651 WeakPolarHBondContact ND1-CH2 3.35Å; H612-W651 AromaticContact ND1-CZ2 3.71Å; H612-W651 AromaticContact ND1-CZ3 3.31Å; H612-W651 VanDerWaalsContact ND1-CZ3 3.31Å; H612-W651 WeakPolarHBondContact ND1-CZ3 3.28Å; H612-W651 AromaticContact NE2-CE2 3.57Å; H612-W651 AromaticContact NE2-CH2 3.57Å; H612-W651 AromaticContact NE2-CZ2 3.2Å; H612-W651 WeakPolarHBondContact NE2-CZ2 3.45Å |
| 613 | P | 62 | Low | 58.1 | Low | 85 Ų | 85 | 61.5 Ų | 61.5 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | trans | -64.4 | 148.1 | 178 | 29 | -34.7 | 0 | 0 | 0 | 110.6 | E610 | E610-P613 WeakPolarHBondContact O-CD 3.45Š| ||
| 614 | P | 70.6 | Confident | 56.7 | Low | 40 Ų | 40 | 58.5 Ų | 58.5 | 26% | 0.26 | 31% | 0.312 | S | S | . | . | trans | -64.1 | 145.9 | 177.3 | 32.3 | -39.7 | 0 | 0 | 0 | 110.2 | F635 L648 D649 W706 | P614-F635 HydrophobicContact CB-CE2 3.97Å; P614-F635 HydrophobicContact CG-CE2 3.98Å; P614-F635 VanDerWaalsContact O-CZ 3.27Å; P614-F635 WeakPolarHBondContact O-CZ 3.24Å; P614-L648 HydrophobicContact CB-CD1 4.28Å; P614-D649 CarbonylContact C-O 3.07Å; P614-D649 WeakPolarHBondContact CA-O 3.4Å; P614-W706 HydrophobicContact CB-CD2 4.34Å; P614-W706 HydrophobicContact CB-CE3 3.83Å; P614-W706 HydrophobicContact CB-CH2 4.42Å; P614-W706 HydrophobicContact CB-CZ3 3.87Å; P614-W706 HydrophobicContact CG-CE3 3.6Å; P614-W706 HydrophobicContact CG-CH2 4.46Å; P614-W706 HydrophobicContact CG-CZ3 3.55Å | ||
| 615 | R | 74.1 | Confident | 55.6 | Low | 68 Ų | 68 | 64.6 Ų | 64.6 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.2 | -177.8 | -60.6 | 176.3 | 73 | -166.5 | -0 | 110.3 | Y617 E630 L648 D649 | R615-Y617 HydrophobicContact CB-CE2 3.69Å; R615-Y617 PolarHBondContact NE-OH 2.95Å; R615-Y617 VanDerWaalsContact NE-OH 3.17Å; R615-Y617 PolarHBondContact NH1-OH 3.13Å; R615-Y617 VanDerWaalsContact NH1-OH 3.07Å; R615-Y617 PolarHBondContact NH2-OH 3.33Å; R615-E630 IonicContact CZ-OE1 2.95Å; R615-E630 IonicContact CZ-OE2 3.54Å; R615-E630 IonicContact NE-OE1 3.22Å; R615-E630 PolarHBondContact NE-OE1 3Å; R615-E630 IonicContact NE-OE2 2.76Å; R615-E630 VanDerWaalsContact NH2-CD 3.31Å; R615-E630 IonicContact NH2-OE1 3.65Å; R615-E630 PolarHBondContact NH2-OE1 2.91Å; R615-E630 IonicContact NH2-OE2 3.32Å; R615-E630 PolarHBondContact NH2-OE2 3.09Å; R615-L648 CarbonylContact O-C 3.51Å; R615-L648 WeakPolarHBondContact O-CA 3.44Å; R615-D649 HydrophobicContact CB-CB 4.45Å; R615-D649 PolarHBondContact N-O 3.23Å; R615-D649 PolarHBondContact O-N 3.43Å |
| 616 | L | 76.4 | Confident | 54.8 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.4 | 177.4 | -177.6 | 66.2 | 0 | 0 | 0 | 109.9 | E630 V631 F635 D639 L640 M646 L647 L648 F707 | L616-E630 CarbonylContact O-C 3.55Å; L616-E630 WeakPolarHBondContact O-CA 3.15Å; L616-V631 HydrophobicContact CB-CB 4.12Å; L616-V631 HydrophobicContact CD2-CB 3.99Å; L616-V631 HydrophobicContact CD2-CG1 4.13Å; L616-V631 HydrophobicContact CD2-CG2 4.03Å; L616-V631 HydrophobicContact CG-CB 4.04Å; L616-V631 HydrophobicContact CG-CG2 3.95Å; L616-V631 PolarHBondContact O-N 3.13Å; L616-F635 HydrophobicContact CB-CD1 3.57Å; L616-F635 HydrophobicContact CB-CD2 4.28Å; L616-F635 HydrophobicContact CB-CE1 3.47Å; L616-F635 VanDerWaalsContact CB-CE1 3.47Å; L616-F635 HydrophobicContact CB-CE2 4.18Å; L616-F635 HydrophobicContact CB-CG 4.01Å; L616-F635 HydrophobicContact CB-CZ 3.81Å; L616-F635 HydrophobicContact CD2-CB 4.19Å; L616-F635 HydrophobicContact CD2-CD1 3.93Å; L616-F635 HydrophobicContact CD2-CG 4.08Å; L616-F635 HydrophobicContact CG-CD1 4.41Å; L616-D639 HydrophobicContact CD2-CB 4.07Å; L616-L640 HydrophobicContact CD1-CD2 4.43Å; L616-M646 HydrophobicContact CD1-CB 4.12Å; L616-M646 HydrophobicContact CD1-CE 4.26Å; L616-M646 HydrophobicContact CD2-CE 4.21Å; L616-M646 HydrophobicContact CG-CE 4.12Å; L616-L647 CarbonylContact C-O 3.49Å; L616-L647 WeakPolarHBondContact CA-O 3.29Å; L616-L648 HydrophobicContact CB-CD1 4.27Å; L616-L648 HydrophobicContact CD1-CB 3.98Å; L616-L648 HydrophobicContact CD1-CD1 4.43Å; L616-F707 HydrophobicContact CD1-CZ 4.45Å; L616-F707 HydrophobicContact CD2-CE1 4.02Å; L616-F707 HydrophobicContact CD2-CZ 4.4Å |
| 617 | Y | 75.6 | Confident | 54.1 | Low | 22 Ų | 22 | 63.3 Ų | 63.3 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.5 | 176.6 | -52.6 | -101.7 | 0 | 0 | 0 | 110.9 | R615 I628 E629 E630 M646 L647 D649 Y677 | R615-Y617 HydrophobicContact CB-CE2 3.69Å; R615-Y617 PolarHBondContact NE-OH 2.95Å; R615-Y617 VanDerWaalsContact NE-OH 3.17Å; R615-Y617 PolarHBondContact NH1-OH 3.13Å; R615-Y617 VanDerWaalsContact NH1-OH 3.07Å; R615-Y617 PolarHBondContact NH2-OH 3.33Å; Y617-I628 HydrophobicContact CD1-CG2 3.97Å; Y617-I628 HydrophobicContact CG-CG2 4.03Å; Y617-E629 CarbonylContact C-O 3.36Å; Y617-E629 WeakPolarHBondContact CA-O 3.26Å; Y617-E630 HydrophobicContact CD1-CB 3.75Å; Y617-E630 HydrophobicContact CD1-CG 4.26Å; Y617-E630 HydrophobicContact CE1-CB 3.82Å; Y617-E630 HydrophobicContact CE1-CG 4.1Å; Y617-M646 CarbonylContact O-C 3.54Å; Y617-M646 WeakPolarHBondContact O-CA 3.26Å; Y617-L647 HydrophobicContact CD2-CB 4.49Å; Y617-L647 HydrophobicContact CD2-CD2 3.74Å; Y617-L647 WeakPolarHBondContact CD2-O 3.45Å; Y617-L647 HydrophobicContact CE2-CD2 4.13Å; Y617-L647 PolarHBondContact N-O 3.11Å; Y617-L647 PolarHBondContact O-N 2.81Å; Y617-D649 HydrophobicContact CE2-CB 4.47Å; Y617-Y677 HydrophobicContact CE2-CE2 4.44Å; Y617-Y677 WeakPolarHBondContact OH-CE2 3.44Å; Y617-Y677 PolarHBondContact OH-OH 2.97Å |
| 618 | G | 67.3 | Low | 54.1 | Low | 15 Ų | 15 | 62.9 Ų | 62.9 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I628 E629 | G618-I628 VanDerWaalsContact O-CA 3.32Å; G618-I628 WeakPolarHBondContact O-CA 3.42Å; G618-E629 PolarHBondContact N-O 3.43Å; G618-E629 PolarHBondContact O-N 3.22Å |
| 619 | C | 69.3 | Low | 54.3 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 95.1 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 108.8 | F626 I627 V645 S670 | C619-F626 HydrophobicContact CB-CE2 3.72Å; C619-F626 HydrophobicContact CB-CZ 3.62Å; C619-I627 CarbonylContact C-O 3.44Å; C619-I627 VanDerWaalsContact CA-O 3.32Å; C619-I627 WeakPolarHBondContact CA-O 3.33Å; C619-V645 CarbonylContact C-O 3.07Å; C619-V645 VanDerWaalsContact CA-O 3.27Å; C619-V645 WeakPolarHBondContact CA-O 3.33Å; C619-V645 HydrophobicContact CB-CB 4.21Å; C619-V645 WeakPolarHBondContact CB-O 3.48Å; C619-V645 PolarHBondContact N-O 2.9Å; C619-V645 PolarHBondContact O-N 3.39Å; C619-S670 WeakPolarHBondContact CB-OG 3.25Å |
| 620 | S | 51.8 | Low | 55.2 | Low | 12 Ų | 12 | 60.4 Ų | 60.4 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.1 | -173.6 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | K622 F626 I627 D644 | S620-K622 WeakPolarHBondContact OG-CB 3.3Å; S620-K622 VanDerWaalsContact OG-CG 3.29Å; S620-K622 WeakPolarHBondContact OG-CG 3.5Å; S620-K622 PolarHBondContact OG-N 3.11Å; S620-K622 VanDerWaalsContact OG-N 3.08Å; S620-F626 CarbonylContact O-C 3.46Å; S620-F626 WeakPolarHBondContact O-CA 3.13Å; S620-I627 PolarHBondContact N-O 3.1Å; S620-I627 WeakPolarHBondContact O-CG1 3.35Å; S620-I627 PolarHBondContact O-N 2.87Å; S620-D644 WeakPolarHBondContact CA-OD1 3.19Å; S620-D644 VanDerWaalsContact CB-CG 3.48Å; S620-D644 WeakPolarHBondContact CB-OD1 3.39Å; S620-D644 PolarHBondContact OG-OD1 3.32Å; S620-D644 PolarHBondContact OG-OD2 2.79Å |
| 621 | N | 46.9 | Very low | 55.7 | Low | 21 Ų | 21 | 54.2 Ų | 54.2 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | trans | -105.9 | 2.9 | 164.6 | 78.8 | 26.2 | 0 | 0 | 0 | 113 | R146 T623 G624 R625 F626 N663 V665 E666 | R146-N621 VanDerWaalsContact CZ-O 3.27Å; R146-N621 PolarHBondContact NH2-O 2.99Å; N621-T623 PolarHBondContact O-N 3.06Å; N621-G624 CarbonylContact O-C 3.07Å; N621-G624 PolarHBondContact O-N 3.45Å; N621-R625 WeakPolarHBondContact CA-O 3.12Å; N621-F626 HydrophobicContact CB-CB 4.42Å; N621-N663 VanDerWaalsContact ND2-CG 3.34Å; N621-N663 PolarHBondContact ND2-ND2 2.87Å; N621-N663 VanDerWaalsContact ND2-ND2 3.14Å; N621-N663 PolarHBondContact ND2-OD1 2.86Å; N621-N663 PolarHBondContact OD1-ND2 3.37Å; N621-V665 WeakPolarHBondContact ND2-CB 3.32Å; N621-E666 HydrophobicContact CB-CG 4.12Å; N621-E666 PolarHBondContact N-OE1 3.2Å; N621-E666 PolarHBondContact OD1-OE1 2.8Å; N621-E666 VanDerWaalsContact OD1-OE1 3.1Å | ||
| 622 | K | 41.5 | Very low | 55.9 | Low | 82 Ų | 82 | 53.3 Ų | 53.3 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -32.8 | -176.6 | -70.8 | 171.6 | -172.3 | 164.9 | 0 | 113.2 | R146 S620 G624 D643 D644 | R146-K622 VanDerWaalsContact CZ-O 3.3Å; R146-K622 PolarHBondContact NE-O 2.83Å; R146-K622 PolarHBondContact NH2-O 2.79Å; S620-K622 WeakPolarHBondContact OG-CB 3.3Å; S620-K622 VanDerWaalsContact OG-CG 3.29Å; S620-K622 WeakPolarHBondContact OG-CG 3.5Å; S620-K622 PolarHBondContact OG-N 3.11Å; S620-K622 VanDerWaalsContact OG-N 3.08Å; K622-G624 VanDerWaalsContact C-N 3.35Å; K622-G624 PolarHBondContact O-N 3.18Å; K622-D643 WeakPolarHBondContact CE-OD1 3.28Å; K622-D643 WeakPolarHBondContact CE-OD2 3.15Å; K622-D643 IonicContact NZ-OD1 4Å; K622-D643 PolarHBondContact NZ-OD1 2.99Å; K622-D643 IonicContact NZ-OD2 2.65Å; K622-D643 PolarHBondContact NZ-OD2 3.43Å; K622-D644 VanDerWaalsContact CE-CG 3.45Å; K622-D644 WeakPolarHBondContact CE-OD1 3.08Å; K622-D644 VanDerWaalsContact CE-OD2 3.31Å; K622-D644 WeakPolarHBondContact CE-OD2 3.16Å; K622-D644 IonicContact NZ-OD1 2.7Å; K622-D644 PolarHBondContact NZ-OD1 2.91Å; K622-D644 IonicContact NZ-OD2 2.8Å; K622-D644 PolarHBondContact NZ-OD2 3.47Å |
| 623 | T | 34.2 | Very low | 55.8 | Low | 70 Ų | 70 | 52.6 Ų | 52.6 | 43% | 0.429 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.7 | 178.4 | 65.7 | 0 | 0 | 0 | 0 | 115 | R146 N621 R625 I627 | R146-T623 WeakPolarHBondContact CB-O 3.29Å; R146-T623 WeakPolarHBondContact CD-O 3.28Å; R146-T623 WeakPolarHBondContact CG-O 3.29Å; R146-T623 VanDerWaalsContact NE-C 3.32Å; N621-T623 PolarHBondContact O-N 3.06Å; T623-R625 PolarHBondContact OG1-O 2.99Å; T623-I627 HydrophobicContact CG2-CD1 3.62Å; T623-I627 WeakPolarHBondContact OG1-CD1 3.2Å |
| 624 | G | 34.8 | Very low | 55.9 | Low | 7 Ų | 7 | 50.7 Ų | 50.7 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 133.8 | -72.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | R146 R246 N621 K622 | R146-G624 PolarHBondContact NH1-O 2.91Å; R246-G624 PolarHBondContact NH1-O 3.32Å; R246-G624 PolarHBondContact NH2-O 3.01Å; N621-G624 CarbonylContact O-C 3.07Å; N621-G624 PolarHBondContact O-N 3.45Å; K622-G624 VanDerWaalsContact C-N 3.35Å; K622-G624 PolarHBondContact O-N 3.18Å |
| 625 | R | 38.7 | Very low | 56.1 | Low | 162 Ų | 162 | 49.8 Ų | 49.8 | 61% | 0.611 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -89.4 | 144.5 | 179.9 | 38.9 | 167.4 | -166.1 | -161.7 | 11.4 | 107.1 | N621 T623 I627 | N621-R625 WeakPolarHBondContact CA-O 3.12Å; T623-R625 PolarHBondContact OG1-O 2.99Å; R625-I627 HydrophobicContact CB-CG2 4.4Å; R625-I627 HydrophobicContact CG-CG2 3.67Å; R625-I627 VanDerWaalsContact NE-CG2 3.28Å; R625-I627 PolarHBondContact O-N 2.96Å; R625-I627 VanDerWaalsContact O-N 3.13Å |
| 626 | F | 44.2 | Very low | 56.1 | Low | 47 Ų | 47 | 47.2 Ų | 47.2 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | trans | -61.3 | 114.8 | 161.2 | -179.9 | -98.1 | 0 | 0 | 0 | 107.6 | C619 S620 N621 I628 E666 E669 S670 S673 | C619-F626 HydrophobicContact CB-CE2 3.72Å; C619-F626 HydrophobicContact CB-CZ 3.62Å; S620-F626 CarbonylContact O-C 3.46Å; S620-F626 WeakPolarHBondContact O-CA 3.13Å; N621-F626 HydrophobicContact CB-CB 4.42Å; F626-I628 HydrophobicContact CD1-CG1 4.39Å; F626-I628 HydrophobicContact CE1-CD1 3.8Å; F626-I628 HydrophobicContact CE1-CG1 3.6Å; F626-I628 HydrophobicContact CZ-CD1 4.32Å; F626-I628 HydrophobicContact CZ-CG1 4Å; F626-E666 HydrophobicContact CD2-CG 4.31Å; F626-E666 HydrophobicContact CE2-CB 4.45Å; F626-E666 HydrophobicContact CE2-CG 4.44Å; F626-E669 HydrophobicContact CB-CB 4.39Å; F626-E669 HydrophobicContact CD1-CB 3.65Å; F626-E669 HydrophobicContact CD2-CB 3.72Å; F626-E669 HydrophobicContact CE1-CB 3.74Å; F626-E669 HydrophobicContact CE2-CB 3.81Å; F626-E669 HydrophobicContact CG-CB 3.63Å; F626-E669 HydrophobicContact CG-CG 4.31Å; F626-E669 HydrophobicContact CZ-CB 3.82Å; F626-S670 VanDerWaalsContact CE2-OG 3.3Å; F626-S670 WeakPolarHBondContact CE2-OG 3.42Å; F626-S670 VanDerWaalsContact CZ-N 3.32Å; F626-S670 VanDerWaalsContact CZ-OG 3.26Å; F626-S670 WeakPolarHBondContact CZ-OG 3.18Å; F626-S673 WeakPolarHBondContact CE1-OG 3.41Å | ||
| 627 | I | 43.7 | Very low | 56.3 | Low | 21 Ų | 21 | 48 Ų | 48 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.9 | 178 | 50.2 | 165.6 | 0 | 0 | 0 | 108.3 | C619 S620 T623 R625 E629 | C619-I627 CarbonylContact C-O 3.44Å; C619-I627 VanDerWaalsContact CA-O 3.32Å; C619-I627 WeakPolarHBondContact CA-O 3.33Å; S620-I627 PolarHBondContact N-O 3.1Å; S620-I627 WeakPolarHBondContact O-CG1 3.35Å; S620-I627 PolarHBondContact O-N 2.87Å; T623-I627 HydrophobicContact CG2-CD1 3.62Å; T623-I627 WeakPolarHBondContact OG1-CD1 3.2Å; R625-I627 HydrophobicContact CB-CG2 4.4Å; R625-I627 HydrophobicContact CG-CG2 3.67Å; R625-I627 VanDerWaalsContact NE-CG2 3.28Å; R625-I627 PolarHBondContact O-N 2.96Å; R625-I627 VanDerWaalsContact O-N 3.13Å; I627-E629 HydrophobicContact CD1-CG 4.18Å |
| 628 | I | 54.6 | Low | 56.3 | Low | 71 Ų | 71 | 50.7 Ų | 50.7 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.9 | 170.3 | -53.6 | 178.1 | 0 | 0 | 0 | 105.6 | Y617 G618 F626 | Y617-I628 HydrophobicContact CD1-CG2 3.97Å; Y617-I628 HydrophobicContact CG-CG2 4.03Å; G618-I628 VanDerWaalsContact O-CA 3.32Å; G618-I628 WeakPolarHBondContact O-CA 3.42Å; F626-I628 HydrophobicContact CD1-CG1 4.39Å; F626-I628 HydrophobicContact CE1-CD1 3.8Å; F626-I628 HydrophobicContact CE1-CG1 3.6Å; F626-I628 HydrophobicContact CZ-CD1 4.32Å; F626-I628 HydrophobicContact CZ-CG1 4Å |
| 629 | E | 52.2 | Low | 56.7 | Low | 114 Ų | 114 | 51.6 Ų | 51.6 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131 | -179.7 | -67.7 | -175 | 170.5 | 0 | 0 | 109 | Y617 G618 I627 V631 | Y617-E629 CarbonylContact C-O 3.36Å; Y617-E629 WeakPolarHBondContact CA-O 3.26Å; G618-E629 PolarHBondContact N-O 3.43Å; G618-E629 PolarHBondContact O-N 3.22Å; I627-E629 HydrophobicContact CD1-CG 4.18Å; E629-V631 PolarHBondContact O-N 3.38Å |
| 630 | E | 61.1 | Low | 57.2 | Low | 81 Ų | 81 | 51.7 Ų | 51.7 | 38% | 0.379 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.4 | 176.2 | -173.2 | 167.1 | -162.9 | 0 | 0 | 109.9 | R615 L616 Y617 P632 | R615-E630 IonicContact CZ-OE1 2.95Å; R615-E630 IonicContact CZ-OE2 3.54Å; R615-E630 IonicContact NE-OE1 3.22Å; R615-E630 PolarHBondContact NE-OE1 3Å; R615-E630 IonicContact NE-OE2 2.76Å; R615-E630 VanDerWaalsContact NH2-CD 3.31Å; R615-E630 IonicContact NH2-OE1 3.65Å; R615-E630 PolarHBondContact NH2-OE1 2.91Å; R615-E630 IonicContact NH2-OE2 3.32Å; R615-E630 PolarHBondContact NH2-OE2 3.09Å; L616-E630 CarbonylContact O-C 3.55Å; L616-E630 WeakPolarHBondContact O-CA 3.15Å; Y617-E630 HydrophobicContact CD1-CB 3.75Å; Y617-E630 HydrophobicContact CD1-CG 4.26Å; Y617-E630 HydrophobicContact CE1-CB 3.82Å; Y617-E630 HydrophobicContact CE1-CG 4.1Å; E630-P632 WeakPolarHBondContact O-CD 3.48Å |
| 631 | V | 63 | Low | 58.3 | Low | 22 Ų | 22 | 52.5 Ų | 52.5 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.8 | 172.7 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | L616 E629 D639 M646 | L616-V631 HydrophobicContact CB-CB 4.12Å; L616-V631 HydrophobicContact CD2-CB 3.99Å; L616-V631 HydrophobicContact CD2-CG1 4.13Å; L616-V631 HydrophobicContact CD2-CG2 4.03Å; L616-V631 HydrophobicContact CG-CB 4.04Å; L616-V631 HydrophobicContact CG-CG2 3.95Å; L616-V631 PolarHBondContact O-N 3.13Å; E629-V631 PolarHBondContact O-N 3.38Å; V631-D639 HydrophobicContact CG1-CB 3.93Å; V631-M646 HydrophobicContact CG2-CE 3.79Å |
| 632 | P | 52.7 | Low | 60 | Low | 105 Ų | 105 | 54.7 Ų | 54.7 | 68% | 0.682 | 29% | 0.291 | S | S | * | . | trans | -80.1 | 153.2 | -174.7 | 32.7 | -35.3 | 0 | 0 | 0 | 112.3 | E630 | E630-P632 WeakPolarHBondContact O-CD 3.48Š| ||
| 633 | G | 57.2 | Low | 61.5 | Low | 59 Ų | 59 | 54.2 Ų | 54.2 | 61% | 0.608 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 81 | -162.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F635 | G633-F635 WeakPolarHBondContact O-CE1 3.46Š|
| 634 | E | 64.7 | Low | 63.6 | Low | 46 Ų | 46 | 51.6 Ų | 51.6 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -70.9 | 140.5 | 175.8 | -73.4 | -175.4 | 178.3 | 0 | 0 | 111.2 | K477 N518 R524 | K477-E634 PolarHBondContact NZ-O 3.45Å; N518-E634 WeakPolarHBondContact CA-OE1 3.18Å; N518-E634 WeakPolarHBondContact CB-OE1 3.34Å; R524-E634 IonicContact CZ-OE2 3Å; R524-E634 VanDerWaalsContact NH1-CD 3.33Å; R524-E634 IonicContact NH1-OE1 3.88Å; R524-E634 IonicContact NH1-OE2 2.68Å; R524-E634 PolarHBondContact NH1-OE2 3.06Å |
| 635 | F | 73.6 | Confident | 66.1 | Low | 20 Ų | 20 | 51.2 Ų | 51.2 | 9% | 0.088 | 27% | 0.272 | C | S | . | . | trans | -80.2 | 129.1 | 180 | -43.3 | -38.4 | 0 | 0 | 0 | 110 | P614 L616 G633 L648 F707 L708 | P614-F635 HydrophobicContact CB-CE2 3.97Å; P614-F635 HydrophobicContact CG-CE2 3.98Å; P614-F635 VanDerWaalsContact O-CZ 3.27Å; P614-F635 WeakPolarHBondContact O-CZ 3.24Å; L616-F635 HydrophobicContact CB-CD1 3.57Å; L616-F635 HydrophobicContact CB-CD2 4.28Å; L616-F635 HydrophobicContact CB-CE1 3.47Å; L616-F635 VanDerWaalsContact CB-CE1 3.47Å; L616-F635 HydrophobicContact CB-CE2 4.18Å; L616-F635 HydrophobicContact CB-CG 4.01Å; L616-F635 HydrophobicContact CB-CZ 3.81Å; L616-F635 HydrophobicContact CD2-CB 4.19Å; L616-F635 HydrophobicContact CD2-CD1 3.93Å; L616-F635 HydrophobicContact CD2-CG 4.08Å; L616-F635 HydrophobicContact CG-CD1 4.41Å; G633-F635 WeakPolarHBondContact O-CE1 3.46Å; F635-L648 HydrophobicContact CD2-CD1 3.98Å; F635-L648 HydrophobicContact CE2-CD1 3.7Å; F635-F707 HydrophobicContact CB-CD1 3.57Å; F635-F707 HydrophobicContact CB-CE1 3.67Å; F635-F707 HydrophobicContact CB-CG 4.33Å; F635-F707 HydrophobicContact CB-CZ 4.46Å; F635-F707 WeakPolarHBondContact O-CA 3.12Å; F635-L708 PolarHBondContact O-N 3.07Å | ||
| 636 | T | 75 | Confident | 68.4 | Low | 14 Ų | 14 | 43.8 Ų | 43.8 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | trans | -120.8 | 156.6 | 173.4 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | D638 D639 F707 | T636-D638 PolarHBondContact O-N 2.95Å; T636-D638 VanDerWaalsContact O-N 3.12Å; T636-D639 PolarHBondContact N-OD2 3.32Å; T636-D639 WeakPolarHBondContact O-CB 3.3Å; T636-D639 PolarHBondContact O-N 3.49Å; T636-D639 PolarHBondContact OG1-OD2 3.32Å; T636-F707 WeakPolarHBondContact O-CD1 3.1Å | ||
| 637 | Q | 81.2 | Confident | 70.3 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -62.1 | -19.7 | 177.6 | -166.6 | 179.9 | 13.9 | 0 | 0 | 112.4 | D639 L640 W710 D711 K714 W715 | Q637-D639 PolarHBondContact O-N 3.43Å; Q637-L640 PolarHBondContact O-N 2.91Å; Q637-W710 HydrophobicContact CB-CE3 3.92Å; Q637-W710 HydrophobicContact CB-CZ3 4.09Å; Q637-W710 HydrophobicContact CG-CD2 4.18Å; Q637-W710 HydrophobicContact CG-CE3 3.79Å; Q637-W710 HydrophobicContact CG-CH2 3.93Å; Q637-W710 HydrophobicContact CG-CZ2 4.26Å; Q637-W710 HydrophobicContact CG-CZ3 3.69Å; Q637-D711 PolarHBondContact NE2-O 2.94Å; Q637-D711 PolarHBondContact OE1-O 3.05Å; Q637-K714 VanDerWaalsContact C-NZ 3.26Å; Q637-K714 HydrophobicContact CB-CD 4.38Å; Q637-K714 VanDerWaalsContact CD-CD 3.43Å; Q637-K714 HydrophobicContact CG-CD 3.76Å; Q637-K714 PolarHBondContact O-NZ 3.24Å; Q637-W715 HydrophobicContact CG-CH2 3.66Å; Q637-W715 HydrophobicContact CG-CZ3 3.72Å; Q637-W715 WeakPolarHBondContact O-CH2 3.43Å |
| 638 | D | 75.6 | Confident | 72.3 | Confident | 80 Ų | 80 | 40.7 Ų | 40.7 | 43% | 0.428 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -69.1 | -19.3 | 172.7 | -74.9 | -33.9 | 0 | 0 | 0 | 113.5 | T636 L640 K714 | T636-D638 PolarHBondContact O-N 2.95Å; T636-D638 VanDerWaalsContact O-N 3.12Å; D638-L640 VanDerWaalsContact C-N 3.25Å; D638-L640 PolarHBondContact O-N 3.4Å; D638-K714 WeakPolarHBondContact OD1-CE 3.25Å; D638-K714 IonicContact OD1-NZ 2.66Å; D638-K714 PolarHBondContact OD1-NZ 2.87Å |
| 639 | D | 74.8 | Confident | 73.5 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 18% | 0.176 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -77.8 | -12.2 | 178 | -61 | -61.1 | 0 | 0 | 0 | 112.8 | K477 L616 V631 T636 Q637 A641 M646 | K477-D639 WeakPolarHBondContact CE-OD1 3.48Å; K477-D639 WeakPolarHBondContact CE-OD2 3.41Å; K477-D639 IonicContact NZ-OD1 3.02Å; K477-D639 PolarHBondContact NZ-OD1 2.72Å; K477-D639 IonicContact NZ-OD2 3.75Å; K477-D639 PolarHBondContact NZ-OD2 2.9Å; L616-D639 HydrophobicContact CD2-CB 4.07Å; V631-D639 HydrophobicContact CG1-CB 3.93Å; T636-D639 PolarHBondContact N-OD2 3.32Å; T636-D639 WeakPolarHBondContact O-CB 3.3Å; T636-D639 PolarHBondContact O-N 3.49Å; T636-D639 PolarHBondContact OG1-OD2 3.32Å; Q637-D639 PolarHBondContact O-N 3.43Å; D639-A641 PolarHBondContact O-N 3.05Å; D639-M646 WeakPolarHBondContact O-CE 3.46Å |
| 640 | L | 80 | Confident | 74.6 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -88.6 | 97.4 | 178 | -59.6 | 178.1 | 0 | 0 | 0 | 109.8 | L616 Q637 D638 E642 M646 W657 F703 F707 W710 W715 | L616-L640 HydrophobicContact CD1-CD2 4.43Å; Q637-L640 PolarHBondContact O-N 2.91Å; D638-L640 VanDerWaalsContact C-N 3.25Å; D638-L640 PolarHBondContact O-N 3.4Å; L640-E642 PolarHBondContact O-N 2.96Å; L640-M646 HydrophobicContact CD2-CB 3.86Å; L640-M646 HydrophobicContact CD2-CG 3.64Å; L640-W657 HydrophobicContact CB-CE3 4.32Å; L640-W657 HydrophobicContact CB-CH2 3.82Å; L640-W657 HydrophobicContact CB-CZ2 4.03Å; L640-W657 HydrophobicContact CB-CZ3 3.98Å; L640-W657 HydrophobicContact CD1-CD2 4.35Å; L640-W657 HydrophobicContact CD1-CZ2 4.23Å; L640-W657 HydrophobicContact CD2-CD2 4.28Å; L640-W657 HydrophobicContact CD2-CE3 4.33Å; L640-F703 HydrophobicContact CD1-CE1 3.97Å; L640-F703 HydrophobicContact CD1-CZ 4.23Å; L640-F703 HydrophobicContact CD2-CZ 4.21Å; L640-F707 HydrophobicContact CD1-CE1 4.1Å; L640-F707 HydrophobicContact CD1-CZ 4.06Å; L640-F707 HydrophobicContact CD2-CE1 3.9Å; L640-F707 HydrophobicContact CD2-CZ 3.79Å; L640-F707 HydrophobicContact CG-CE1 3.92Å; L640-F707 HydrophobicContact CG-CZ 4.14Å; L640-W710 HydrophobicContact CD1-CH2 3.49Å; L640-W710 VanDerWaalsContact CD1-CH2 3.49Å; L640-W710 HydrophobicContact CD1-CZ3 3.55Å; L640-W715 HydrophobicContact CB-CH2 3.95Å |
| 641 | A | 74.9 | Confident | 75 | Confident | 29 Ų | 29 | 31.4 Ų | 31.4 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | trans | -74.6 | 117.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D639 D643 D644 W657 | D639-A641 PolarHBondContact O-N 3.05Å; A641-D643 PolarHBondContact O-N 2.72Å; A641-D644 HydrophobicContact CB-CB 4.06Å; A641-D644 PolarHBondContact O-N 3.29Å; A641-W657 WeakPolarHBondContact O-CZ3 3.45Å | ||
| 642 | E | 81.8 | Confident | 75.3 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.9 | -177.5 | -57.7 | -175.7 | -117.9 | 0 | 0 | 113.9 | L640 G659 K660 D661 A662 Q696 W715 | L640-E642 PolarHBondContact O-N 2.96Å; E642-G659 CarbonylContact O-C 3.58Å; E642-G659 WeakPolarHBondContact O-CA 3.32Å; E642-K660 PolarHBondContact O-N 3.07Å; E642-D661 WeakPolarHBondContact O-CA 3.35Å; E642-D661 PolarHBondContact O-N 3.22Å; E642-A662 PolarHBondContact O-N 2.91Å; E642-Q696 PolarHBondContact OE2-NE2 2.75Å; E642-W715 HydrophobicContact CG-CD2 4.48Å; E642-W715 HydrophobicContact CG-CZ2 4.09Å; E642-W715 PolarHBondContact OE1-NE1 3.42Å |
| 643 | D | 73.3 | Confident | 76.7 | Confident | 72 Ų | 72 | 31.1 Ų | 31.1 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 13.4 | -179.3 | 58.1 | -19.2 | 0 | 0 | 0 | 113.6 | K622 A641 D661 | K622-D643 WeakPolarHBondContact CE-OD1 3.28Å; K622-D643 WeakPolarHBondContact CE-OD2 3.15Å; K622-D643 IonicContact NZ-OD1 4Å; K622-D643 PolarHBondContact NZ-OD1 2.99Å; K622-D643 IonicContact NZ-OD2 2.65Å; K622-D643 PolarHBondContact NZ-OD2 3.43Å; A641-D643 PolarHBondContact O-N 2.72Å; D643-D661 HydrophobicContact CB-CB 3.92Å |
| 644 | D | 79.1 | Confident | 78 | Confident | 15 Ų | 15 | 28.3 Ų | 28.3 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -131.8 | 175 | 174 | -69.6 | -45.6 | 0 | 0 | 0 | 112.2 | S620 K622 A641 G659 A662 | S620-D644 WeakPolarHBondContact CA-OD1 3.19Å; S620-D644 VanDerWaalsContact CB-CG 3.48Å; S620-D644 WeakPolarHBondContact CB-OD1 3.39Å; S620-D644 PolarHBondContact OG-OD1 3.32Å; S620-D644 PolarHBondContact OG-OD2 2.79Å; K622-D644 VanDerWaalsContact CE-CG 3.45Å; K622-D644 WeakPolarHBondContact CE-OD1 3.08Å; K622-D644 VanDerWaalsContact CE-OD2 3.31Å; K622-D644 WeakPolarHBondContact CE-OD2 3.16Å; K622-D644 IonicContact NZ-OD1 2.7Å; K622-D644 PolarHBondContact NZ-OD1 2.91Å; K622-D644 IonicContact NZ-OD2 2.8Å; K622-D644 PolarHBondContact NZ-OD2 3.47Å; A641-D644 HydrophobicContact CB-CB 4.06Å; A641-D644 PolarHBondContact O-N 3.29Å; D644-G659 WeakPolarHBondContact O-CA 3.25Å; D644-G659 PolarHBondContact O-N 2.75Å; D644-A662 WeakPolarHBondContact O-CB 3.06Å |
| 645 | V | 86.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.1 | 168.4 | 176.2 | 0 | 0 | 0 | 0 | 109 | C619 I656 W657 I658 A662 E666 K667 S670 | C619-V645 CarbonylContact C-O 3.07Å; C619-V645 VanDerWaalsContact CA-O 3.27Å; C619-V645 WeakPolarHBondContact CA-O 3.33Å; C619-V645 HydrophobicContact CB-CB 4.21Å; C619-V645 WeakPolarHBondContact CB-O 3.48Å; C619-V645 PolarHBondContact N-O 2.9Å; C619-V645 PolarHBondContact O-N 3.39Å; V645-I656 HydrophobicContact CG1-CG2 3.48Å; V645-I656 VanDerWaalsContact CG1-CG2 3.48Å; V645-W657 CarbonylContact C-O 3.5Å; V645-W657 WeakPolarHBondContact CA-O 3.33Å; V645-W657 WeakPolarHBondContact CG1-O 3.34Å; V645-I658 HydrophobicContact CG2-CG1 4.41Å; V645-A662 HydrophobicContact CG2-CB 3.96Å; V645-E666 HydrophobicContact CB-CB 4.45Å; V645-E666 HydrophobicContact CG2-CB 3.85Å; V645-K667 HydrophobicContact CG2-CG 4.18Å; V645-S670 WeakPolarHBondContact CB-OG 3.31Å; V645-S670 VanDerWaalsContact CG1-CB 3.42Å; V645-S670 WeakPolarHBondContact CG1-OG 3.48Å |
| 646 | M | 86.7 | Confident | 80.1 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.9 | 178.3 | -50.2 | -63.1 | -63.8 | 0 | 0 | 110 | L616 Y617 V631 D639 L640 I656 W657 | L616-M646 HydrophobicContact CD1-CB 4.12Å; L616-M646 HydrophobicContact CD1-CE 4.26Å; L616-M646 HydrophobicContact CD2-CE 4.21Å; L616-M646 HydrophobicContact CG-CE 4.12Å; Y617-M646 CarbonylContact O-C 3.54Å; Y617-M646 WeakPolarHBondContact O-CA 3.26Å; V631-M646 HydrophobicContact CG2-CE 3.79Å; D639-M646 WeakPolarHBondContact O-CE 3.46Å; L640-M646 HydrophobicContact CD2-CB 3.86Å; L640-M646 HydrophobicContact CD2-CG 3.64Å; M646-I656 CarbonylContact O-C 3.4Å; M646-I656 WeakPolarHBondContact O-CA 3.25Å; M646-W657 HydrophobicContact CB-CB 4.24Å; M646-W657 HydrophobicContact CB-CE3 4.15Å; M646-W657 HydrophobicContact CG-CE3 3.64Å; M646-W657 HydrophobicContact CG-CZ3 4.08Å; M646-W657 PolarHBondContact N-O 3.46Å; M646-W657 PolarHBondContact O-N 3.09Å |
| 647 | L | 86 | Confident | 81.1 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.1 | 175.4 | -172.8 | 162.2 | 0 | 0 | 0 | 108.4 | L616 Y617 D649 I654 F655 A674 | L616-L647 CarbonylContact C-O 3.49Å; L616-L647 WeakPolarHBondContact CA-O 3.29Å; Y617-L647 HydrophobicContact CD2-CB 4.49Å; Y617-L647 HydrophobicContact CD2-CD2 3.74Å; Y617-L647 WeakPolarHBondContact CD2-O 3.45Å; Y617-L647 HydrophobicContact CE2-CD2 4.13Å; Y617-L647 PolarHBondContact N-O 3.11Å; Y617-L647 PolarHBondContact O-N 2.81Å; L647-D649 HydrophobicContact CD2-CB 4.21Å; L647-I654 HydrophobicContact CD1-CG2 4.26Å; L647-I654 HydrophobicContact CD2-CG2 3.68Å; L647-I654 HydrophobicContact CG-CG2 3.77Å; L647-F655 CarbonylContact C-O 3.55Å; L647-F655 VanDerWaalsContact CA-O 3.3Å; L647-F655 WeakPolarHBondContact CA-O 3.43Å; L647-A674 HydrophobicContact CD1-CB 3.66Å |
| 648 | L | 84.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107.9 | 173.3 | 173.8 | 66.6 | 0 | 0 | 0 | 108.8 | P614 R615 L616 F635 F655 F703 W706 F707 | P614-L648 HydrophobicContact CB-CD1 4.28Å; R615-L648 CarbonylContact O-C 3.51Å; R615-L648 WeakPolarHBondContact O-CA 3.44Å; L616-L648 HydrophobicContact CB-CD1 4.27Å; L616-L648 HydrophobicContact CD1-CB 3.98Å; L616-L648 HydrophobicContact CD1-CD1 4.43Å; F635-L648 HydrophobicContact CD2-CD1 3.98Å; F635-L648 HydrophobicContact CE2-CD1 3.7Å; L648-F655 HydrophobicContact CB-CB 4.17Å; L648-F655 HydrophobicContact CB-CD2 4.42Å; L648-F655 HydrophobicContact CD2-CD2 4.04Å; L648-F655 HydrophobicContact CG-CD2 4.26Å; L648-F655 PolarHBondContact N-O 3.4Å; L648-F655 PolarHBondContact O-N 3.21Å; L648-F703 HydrophobicContact CB-CE2 4.03Å; L648-F703 HydrophobicContact CD2-CD2 3.85Å; L648-F703 HydrophobicContact CD2-CE2 3.81Å; L648-W706 HydrophobicContact CD2-CB 3.84Å; L648-W706 HydrophobicContact CD2-CG 3.82Å; L648-F707 HydrophobicContact CD2-CE2 4.16Å |
| 649 | D | 80.1 | Confident | 82.1 | Confident | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 110.3 | 171.1 | -178.9 | 11.1 | 0 | 0 | 0 | 109.6 | P614 R615 Y617 L647 W651 Y677 R685 | P614-D649 CarbonylContact C-O 3.07Å; P614-D649 WeakPolarHBondContact CA-O 3.4Å; R615-D649 HydrophobicContact CB-CB 4.45Å; R615-D649 PolarHBondContact N-O 3.23Å; R615-D649 PolarHBondContact O-N 3.43Å; Y617-D649 HydrophobicContact CE2-CB 4.47Å; L647-D649 HydrophobicContact CD2-CB 4.21Å; D649-W651 PolarHBondContact OD1-N 3.06Å; D649-Y677 HydrophobicContact CB-CE1 4.06Å; D649-Y677 WeakPolarHBondContact OD2-CE1 3.24Å; D649-Y677 VanDerWaalsContact OD2-CZ 3.27Å; D649-Y677 PolarHBondContact OD2-OH 3.41Å; D649-R685 IonicContact OD1-CZ 2.72Å; D649-R685 IonicContact OD1-NH1 2.84Å; D649-R685 PolarHBondContact OD1-NH1 3.05Å; D649-R685 IonicContact OD1-NH2 2.64Å; D649-R685 PolarHBondContact OD1-NH2 2.71Å; D649-R685 IonicContact OD2-CZ 3.65Å; D649-R685 IonicContact OD2-NH1 3.62Å; D649-R685 PolarHBondContact OD2-NH1 2.79Å |
| 650 | A | 75.2 | Confident | 82.7 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | trans | -110 | 29.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L604 E652 Q653 F655 W706 | L604-A650 WeakPolarHBondContact CD1-O 3.48Å; A650-E652 PolarHBondContact O-N 2.92Å; A650-Q653 HydrophobicContact CB-CG 4.48Å; A650-Q653 PolarHBondContact N-O 3.48Å; A650-F655 HydrophobicContact CB-CD2 4.43Å; A650-F655 HydrophobicContact CB-CE2 4.15Å; A650-W706 HydrophobicContact CB-CZ2 3.72Å | ||
| 651 | W | 69.9 | Low | 82.6 | Confident | 60 Ų | 60 | 31.8 Ų | 31.8 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 61 | -55.7 | 178.4 | -171.7 | -104.4 | 0 | 0 | 0 | 117.4 | L604 H612 D649 Q653 S683 R685 | L604-W651 HydrophobicContact CD1-CB 4.01Å; L604-W651 HydrophobicContact CD2-CB 4.25Å; L604-W651 HydrophobicContact CD2-CG 4.45Å; H612-W651 HydrophobicContact CB-CB 3.85Å; H612-W651 HydrophobicContact CB-CD2 3.48Å; H612-W651 VanDerWaalsContact CB-CD2 3.48Å; H612-W651 HydrophobicContact CB-CE3 3.65Å; H612-W651 HydrophobicContact CB-CG 3.57Å; H612-W651 HydrophobicContact CB-CZ3 4.34Å; H612-W651 AromaticContact CD2-CD1 3.98Å; H612-W651 AromaticContact CD2-CD2 3.59Å; H612-W651 AromaticContact CD2-CE2 3.2Å; H612-W651 AromaticContact CD2-CH2 3.92Å; H612-W651 AromaticContact CD2-CZ2 3.4Å; H612-W651 VanDerWaalsContact CD2-CZ2 3.4Å; H612-W651 WeakPolarHBondContact CD2-CZ2 3.26Å; H612-W651 AromaticContact CD2-NE1 3.47Å; H612-W651 PolarHBondContact CD2-NE1 3.15Å; H612-W651 AromaticContact CE1-CE2 3.98Å; H612-W651 AromaticContact CE1-CH2 3.23Å; H612-W651 WeakPolarHBondContact CE1-CH2 3.38Å; H612-W651 AromaticContact CE1-CZ2 3.42Å; H612-W651 VanDerWaalsContact CE1-CZ2 3.42Å; H612-W651 WeakPolarHBondContact CE1-CZ2 3.48Å; H612-W651 AromaticContact CE1-CZ3 3.7Å; H612-W651 AromaticContact CG-CD2 3.3Å; H612-W651 AromaticContact CG-CE2 3.44Å; H612-W651 VanDerWaalsContact CG-CE2 3.44Å; H612-W651 AromaticContact CG-CE3 3.47Å; H612-W651 VanDerWaalsContact CG-CE3 3.47Å; H612-W651 AromaticContact CG-CG 3.85Å; H612-W651 AromaticContact CG-CH2 3.81Å; H612-W651 AromaticContact CG-CZ2 3.71Å; H612-W651 AromaticContact CG-CZ3 3.71Å; H612-W651 AromaticContact CG-NE1 3.99Å; H612-W651 AromaticContact ND1-CD2 3.84Å; H612-W651 AromaticContact ND1-CE2 3.91Å; H612-W651 AromaticContact ND1-CE3 3.56Å; H612-W651 AromaticContact ND1-CH2 3.37Å; H612-W651 WeakPolarHBondContact ND1-CH2 3.35Å; H612-W651 AromaticContact ND1-CZ2 3.71Å; H612-W651 AromaticContact ND1-CZ3 3.31Å; H612-W651 VanDerWaalsContact ND1-CZ3 3.31Å; H612-W651 WeakPolarHBondContact ND1-CZ3 3.28Å; H612-W651 AromaticContact NE2-CE2 3.57Å; H612-W651 AromaticContact NE2-CH2 3.57Å; H612-W651 AromaticContact NE2-CZ2 3.2Å; H612-W651 WeakPolarHBondContact NE2-CZ2 3.45Å; D649-W651 PolarHBondContact OD1-N 3.06Å; W651-Q653 VanDerWaalsContact C-N 3.25Å; W651-Q653 PolarHBondContact O-N 3.45Å; W651-S683 WeakPolarHBondContact CH2-OG 3.45Å; W651-S683 WeakPolarHBondContact CZ3-OG 3.33Å; W651-R685 HydrophobicContact CH2-CB 4.11Å; W651-R685 HydrophobicContact CH2-CG 4.39Å; W651-R685 HydrophobicContact CZ3-CB 4.37Å; W651-R685 HydrophobicContact CZ3-CG 4.44Å; W651-R685 PolarHBondContact O-NE 3.43Å; W651-R685 PolarHBondContact O-NH2 2.83Å |
| 652 | E | 69.6 | Low | 82.7 | Confident | 85 Ų | 85 | 30.7 Ų | 30.7 | 40% | 0.397 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -73.2 | -22.2 | 173.3 | -80 | 177.6 | 174.7 | 0 | 0 | 112.5 | S602 L604 A650 P690 | S602-E652 PolarHBondContact OG-OE2 3.03Å; L604-E652 HydrophobicContact CD1-CB 3.84Å; L604-E652 HydrophobicContact CD1-CG 3.55Å; L604-E652 HydrophobicContact CG-CG 4.2Å; A650-E652 PolarHBondContact O-N 2.92Å; E652-P690 VanDerWaalsContact O-CD 3.31Å; E652-P690 WeakPolarHBondContact O-CD 3.29Å |
| 653 | Q | 81.5 | Confident | 82.5 | Confident | 37 Ų | 37 | 30.1 Ų | 30.1 | 17% | 0.173 | 15% | 0.146 | C | C | . | . | trans | -154.8 | 155.2 | -179.4 | 60.4 | -164.1 | -24.8 | 0 | 0 | 111.1 | A650 W651 F655 P690 | A650-Q653 HydrophobicContact CB-CG 4.48Å; A650-Q653 PolarHBondContact N-O 3.48Å; W651-Q653 VanDerWaalsContact C-N 3.25Å; W651-Q653 PolarHBondContact O-N 3.45Å; Q653-F655 HydrophobicContact CG-CD2 4.27Å; Q653-F655 HydrophobicContact CG-CE1 4.36Å; Q653-F655 HydrophobicContact CG-CE2 3.62Å; Q653-F655 HydrophobicContact CG-CZ 3.69Å; Q653-P690 WeakPolarHBondContact CA-O 3.38Å; Q653-P690 HydrophobicContact CB-CG 3.84Å | ||
| 654 | I | 83.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.1 | 173.4 | -61.1 | 169 | 0 | 0 | 0 | 107.7 | L647 A674 Y677 L678 T689 P690 I691 V692 | L647-I654 HydrophobicContact CD1-CG2 4.26Å; L647-I654 HydrophobicContact CD2-CG2 3.68Å; L647-I654 HydrophobicContact CG-CG2 3.77Å; I654-A674 HydrophobicContact CG2-CB 4.26Å; I654-Y677 HydrophobicContact CD1-CD1 3.89Å; I654-Y677 HydrophobicContact CD1-CE1 4.26Å; I654-L678 HydrophobicContact CD1-CB 3.91Å; I654-L678 HydrophobicContact CD1-CD1 4.24Å; I654-L678 HydrophobicContact CD1-CG 4.48Å; I654-T689 HydrophobicContact CG1-CG2 4.46Å; I654-P690 PolarHBondContact N-O 3.23Å; I654-I691 HydrophobicContact CB-CG1 4.33Å; I654-I691 CarbonylContact O-C 3.52Å; I654-I691 VanDerWaalsContact O-CA 3.25Å; I654-I691 WeakPolarHBondContact O-CA 3.14Å; I654-V692 PolarHBondContact O-N 2.99Å |
| 655 | F | 89.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.2 | 173.8 | -61 | -79.4 | 0 | 0 | 0 | 110.7 | L647 L648 A650 Q653 V692 I694 T702 F703 | L647-F655 CarbonylContact C-O 3.55Å; L647-F655 VanDerWaalsContact CA-O 3.3Å; L647-F655 WeakPolarHBondContact CA-O 3.43Å; L648-F655 HydrophobicContact CB-CB 4.17Å; L648-F655 HydrophobicContact CB-CD2 4.42Å; L648-F655 HydrophobicContact CD2-CD2 4.04Å; L648-F655 HydrophobicContact CG-CD2 4.26Å; L648-F655 PolarHBondContact N-O 3.4Å; L648-F655 PolarHBondContact O-N 3.21Å; A650-F655 HydrophobicContact CB-CD2 4.43Å; A650-F655 HydrophobicContact CB-CE2 4.15Å; Q653-F655 HydrophobicContact CG-CD2 4.27Å; Q653-F655 HydrophobicContact CG-CE1 4.36Å; Q653-F655 HydrophobicContact CG-CE2 3.62Å; Q653-F655 HydrophobicContact CG-CZ 3.69Å; F655-V692 CarbonylContact C-O 3.4Å; F655-V692 VanDerWaalsContact CA-O 3.32Å; F655-V692 WeakPolarHBondContact CA-O 3.35Å; F655-V692 HydrophobicContact CD1-CB 3.73Å; F655-V692 HydrophobicContact CD1-CG1 3.98Å; F655-V692 HydrophobicContact CD1-CG2 4.46Å; F655-V692 HydrophobicContact CE1-CB 4.07Å; F655-V692 HydrophobicContact CE1-CG1 4.12Å; F655-V692 HydrophobicContact CE1-CG2 4.42Å; F655-I694 HydrophobicContact CB-CD1 4.13Å; F655-I694 HydrophobicContact CD1-CD1 3.3Å; F655-I694 HydrophobicContact CD1-CG1 4.27Å; F655-I694 HydrophobicContact CE1-CD1 3.91Å; F655-I694 HydrophobicContact CG-CD1 4.01Å; F655-T702 VanDerWaalsContact CZ-O 3.27Å; F655-T702 WeakPolarHBondContact CZ-O 3.2Å; F655-F703 HydrophobicContact CB-CD2 3.71Å; F655-F703 HydrophobicContact CB-CE2 3.93Å; F655-F703 HydrophobicContact CD1-CB 4.47Å; F655-F703 HydrophobicContact CD1-CD2 4.12Å; F655-F703 HydrophobicContact CD2-CD2 4.01Å; F655-F703 HydrophobicContact CE1-CB 4.35Å; F655-F703 AromaticContact CG-CD2 3.7Å; F655-F703 HydrophobicContact CG-CD2 3.7Å; F655-F703 HydrophobicContact CG-CE2 4.4Å; F655-F703 HydrophobicContact CZ-CB 4.49Å |
| 656 | I | 93.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 102.1 | 168.2 | -61.5 | 174.2 | 0 | 0 | 0 | 106.6 | V645 M646 I658 L671 A674 I691 V692 I693 I694 | V645-I656 HydrophobicContact CG1-CG2 3.48Å; V645-I656 VanDerWaalsContact CG1-CG2 3.48Å; M646-I656 CarbonylContact O-C 3.4Å; M646-I656 WeakPolarHBondContact O-CA 3.25Å; I656-I658 HydrophobicContact CG2-CG1 4.28Å; I656-L671 HydrophobicContact CD1-CB 4.49Å; I656-L671 HydrophobicContact CD1-CD2 3.36Å; I656-L671 HydrophobicContact CD1-CG 3.98Å; I656-A674 HydrophobicContact CD1-CB 3.67Å; I656-A674 HydrophobicContact CG1-CB 4.14Å; I656-I691 HydrophobicContact CD1-CG2 3.42Å; I656-I691 VanDerWaalsContact CD1-CG2 3.42Å; I656-I691 HydrophobicContact CG1-CG2 3.92Å; I656-V692 PolarHBondContact N-O 2.78Å; I656-I693 CarbonylContact O-C 3.59Å; I656-I693 WeakPolarHBondContact O-CA 3.39Å; I656-I694 PolarHBondContact O-N 3.39Å |
| 657 | W | 94.6 | Very high | 81.2 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.6 | 176.1 | -179 | 97.1 | 0 | 0 | 0 | 109.5 | L640 A641 V645 M646 I694 Q696 E699 F703 W715 | L640-W657 HydrophobicContact CB-CE3 4.32Å; L640-W657 HydrophobicContact CB-CH2 3.82Å; L640-W657 HydrophobicContact CB-CZ2 4.03Å; L640-W657 HydrophobicContact CB-CZ3 3.98Å; L640-W657 HydrophobicContact CD1-CD2 4.35Å; L640-W657 HydrophobicContact CD1-CZ2 4.23Å; L640-W657 HydrophobicContact CD2-CD2 4.28Å; L640-W657 HydrophobicContact CD2-CE3 4.33Å; A641-W657 WeakPolarHBondContact O-CZ3 3.45Å; V645-W657 CarbonylContact C-O 3.5Å; V645-W657 WeakPolarHBondContact CA-O 3.33Å; V645-W657 WeakPolarHBondContact CG1-O 3.34Å; M646-W657 HydrophobicContact CB-CB 4.24Å; M646-W657 HydrophobicContact CB-CE3 4.15Å; M646-W657 HydrophobicContact CG-CE3 3.64Å; M646-W657 HydrophobicContact CG-CZ3 4.08Å; M646-W657 PolarHBondContact N-O 3.46Å; M646-W657 PolarHBondContact O-N 3.09Å; W657-I694 CarbonylContact C-O 3.54Å; W657-I694 WeakPolarHBondContact CA-O 3.45Å; W657-Q696 HydrophobicContact CH2-CB 4.1Å; W657-Q696 HydrophobicContact CH2-CG 4.19Å; W657-Q696 HydrophobicContact CZ2-CB 3.56Å; W657-Q696 HydrophobicContact CZ2-CG 3.66Å; W657-E699 PolarHBondContact NE1-OE1 3.39Å; W657-F703 HydrophobicContact CB-CE1 4.49Å; W657-F703 HydrophobicContact CB-CE2 4.03Å; W657-F703 HydrophobicContact CB-CZ 3.69Å; W657-F703 AromaticContact CD1-CE1 3.56Å; W657-F703 AromaticContact CD1-CZ 3.62Å; W657-F703 HydrophobicContact CG-CE1 4.2Å; W657-F703 AromaticContact CG-CZ 3.82Å; W657-F703 HydrophobicContact CG-CZ 3.82Å; W657-W715 HydrophobicContact CZ2-CH2 4.43Å; W657-W715 HydrophobicContact CZ2-CZ3 4.12Å |
| 658 | I | 92.1 | Very high | 80.7 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 112.7 | -177.3 | -60.3 | 177 | 0 | 0 | 0 | 108.5 | V645 I656 A662 K667 I693 I694 Q696 | V645-I658 HydrophobicContact CG2-CG1 4.41Å; I656-I658 HydrophobicContact CG2-CG1 4.28Å; I658-A662 HydrophobicContact CG2-CB 4.21Å; I658-K667 HydrophobicContact CD1-CG 4.35Å; I658-K667 HydrophobicContact CG2-CD 4.1Å; I658-K667 HydrophobicContact CG2-CG 3.92Å; I658-I693 HydrophobicContact CD1-CG2 3.51Å; I658-I693 HydrophobicContact CG1-CG2 4.18Å; I658-I694 PolarHBondContact N-O 3.01Å; I658-Q696 PolarHBondContact O-N 3.4Å |
| 659 | G | 86.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -60 | 147.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E642 D644 D661 A662 | E642-G659 CarbonylContact O-C 3.58Å; E642-G659 WeakPolarHBondContact O-CA 3.32Å; D644-G659 WeakPolarHBondContact O-CA 3.25Å; D644-G659 PolarHBondContact O-N 2.75Å; G659-D661 PolarHBondContact O-N 3.02Å; G659-A662 VanDerWaalsContact O-CB 3.25Å; G659-A662 WeakPolarHBondContact O-CB 3.39Å; G659-A662 PolarHBondContact O-N 2.57Å; G659-A662 VanDerWaalsContact O-N 3.16Å | ||
| 660 | K | 88.1 | Confident | 79.6 | Confident | 152 Ų | 152 | 47.7 Ų | 47.7 | 66% | 0.661 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -37.2 | -177.7 | 179.5 | -178.8 | 174.8 | -174.8 | 0 | 112.7 | E642 Q696 | E642-K660 PolarHBondContact O-N 3.07Å; K660-Q696 HydrophobicContact CB-CB 4.39Å |
| 661 | D | 77.5 | Confident | 79.7 | Confident | 108 Ų | 108 | 50 Ų | 50 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 4.4 | -176.8 | -62.7 | -32.8 | 0 | 0 | 0 | 112.8 | E642 D643 G659 | E642-D661 WeakPolarHBondContact O-CA 3.35Å; E642-D661 PolarHBondContact O-N 3.22Å; D643-D661 HydrophobicContact CB-CB 3.92Å; G659-D661 PolarHBondContact O-N 3.02Å |
| 662 | A | 77.8 | Confident | 79.8 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -60.5 | 139.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E642 D644 V645 I658 G659 K667 | E642-A662 PolarHBondContact O-N 2.91Å; D644-A662 WeakPolarHBondContact O-CB 3.06Å; V645-A662 HydrophobicContact CG2-CB 3.96Å; I658-A662 HydrophobicContact CG2-CB 4.21Å; G659-A662 VanDerWaalsContact O-CB 3.25Å; G659-A662 WeakPolarHBondContact O-CB 3.39Å; G659-A662 PolarHBondContact O-N 2.57Å; G659-A662 VanDerWaalsContact O-N 3.16Å; A662-K667 WeakPolarHBondContact O-CE 3.41Å; A662-K667 PolarHBondContact O-NZ 2.94Å | ||
| 663 | N | 77.1 | Confident | 79.8 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | trans | -86.6 | 163.5 | -176 | 66.1 | 64.3 | 0 | 0 | 0 | 112.8 | N621 V665 E666 K667 | N621-N663 VanDerWaalsContact ND2-CG 3.34Å; N621-N663 PolarHBondContact ND2-ND2 2.87Å; N621-N663 VanDerWaalsContact ND2-ND2 3.14Å; N621-N663 PolarHBondContact ND2-OD1 2.86Å; N621-N663 PolarHBondContact OD1-ND2 3.37Å; N663-V665 PolarHBondContact O-N 3.43Å; N663-V665 WeakPolarHBondContact OD1-CB 3.14Å; N663-V665 PolarHBondContact OD1-N 3.12Å; N663-V665 VanDerWaalsContact OD1-N 3.15Å; N663-E666 VanDerWaalsContact CG-CD 3.48Å; N663-E666 PolarHBondContact N-OE2 3.4Å; N663-E666 PolarHBondContact ND2-OE1 2.77Å; N663-E666 PolarHBondContact ND2-OE2 3.42Å; N663-E666 PolarHBondContact O-N 2.9Å; N663-E666 PolarHBondContact OD1-N 3.33Å; N663-K667 WeakPolarHBondContact O-CG 3.39Å; N663-K667 PolarHBondContact O-N 2.84Å | ||
| 664 | E | 78.1 | Confident | 79.3 | Confident | 134 Ų | 134 | 48.5 Ų | 48.5 | 63% | 0.626 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.7 | -26.9 | -175.9 | -67.9 | -55.4 | 120.2 | 0 | 0 | 113.8 | K667 K668 | E664-K667 WeakPolarHBondContact OE1-CD 3.29Å; E664-K667 IonicContact OE1-NZ 3.68Å; E664-K667 PolarHBondContact OE1-NZ 3.44Å; E664-K668 WeakPolarHBondContact O-CB 3.24Å; E664-K668 PolarHBondContact O-N 2.87Å; E664-K668 VanDerWaalsContact O-N 3.1Å |
| 665 | V | 69.5 | Low | 78.7 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.1 | -46.1 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 110 | N621 N663 K668 E669 | N621-V665 WeakPolarHBondContact ND2-CB 3.32Å; N663-V665 PolarHBondContact O-N 3.43Å; N663-V665 WeakPolarHBondContact OD1-CB 3.14Å; N663-V665 PolarHBondContact OD1-N 3.12Å; N663-V665 VanDerWaalsContact OD1-N 3.15Å; V665-K668 PolarHBondContact O-N 3.13Å; V665-E669 HydrophobicContact CG1-CG 4.27Å; V665-E669 WeakPolarHBondContact O-CB 3.2Å; V665-E669 WeakPolarHBondContact O-CG 3.14Å; V665-E669 PolarHBondContact O-N 2.76Å |
| 666 | E | 67.9 | Low | 77.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.2 | -72.8 | 152 | -174.4 | 0 | 0 | 111.3 | N621 F626 V645 N663 K668 E669 S670 | N621-E666 HydrophobicContact CB-CG 4.12Å; N621-E666 PolarHBondContact N-OE1 3.2Å; N621-E666 PolarHBondContact OD1-OE1 2.8Å; N621-E666 VanDerWaalsContact OD1-OE1 3.1Å; F626-E666 HydrophobicContact CD2-CG 4.31Å; F626-E666 HydrophobicContact CE2-CB 4.45Å; F626-E666 HydrophobicContact CE2-CG 4.44Å; V645-E666 HydrophobicContact CB-CB 4.45Å; V645-E666 HydrophobicContact CG2-CB 3.85Å; N663-E666 VanDerWaalsContact CG-CD 3.48Å; N663-E666 PolarHBondContact N-OE2 3.4Å; N663-E666 PolarHBondContact ND2-OE1 2.77Å; N663-E666 PolarHBondContact ND2-OE2 3.42Å; N663-E666 PolarHBondContact O-N 2.9Å; N663-E666 PolarHBondContact OD1-N 3.33Å; E666-K668 VanDerWaalsContact C-N 3.3Å; E666-K668 PolarHBondContact O-N 2.88Å; E666-E669 PolarHBondContact O-N 3.26Å; E666-S670 WeakPolarHBondContact O-CB 3.46Å; E666-S670 PolarHBondContact O-N 3.09Å; E666-S670 PolarHBondContact O-OG 3.24Å |
| 667 | K | 82.3 | Confident | 76 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 21% | 0.213 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | 177.9 | -67.6 | 173.2 | -164.8 | 158.8 | 0 | 112.1 | V645 I658 A662 N663 E664 L671 | V645-K667 HydrophobicContact CG2-CG 4.18Å; I658-K667 HydrophobicContact CD1-CG 4.35Å; I658-K667 HydrophobicContact CG2-CD 4.1Å; I658-K667 HydrophobicContact CG2-CG 3.92Å; A662-K667 WeakPolarHBondContact O-CE 3.41Å; A662-K667 PolarHBondContact O-NZ 2.94Å; N663-K667 WeakPolarHBondContact O-CG 3.39Å; N663-K667 PolarHBondContact O-N 2.84Å; E664-K667 WeakPolarHBondContact OE1-CD 3.29Å; E664-K667 IonicContact OE1-NZ 3.68Å; E664-K667 PolarHBondContact OE1-NZ 3.44Å; K667-L671 WeakPolarHBondContact O-CD1 3.16Å; K667-L671 WeakPolarHBondContact O-CG 3.44Å; K667-L671 PolarHBondContact O-N 3.35Å |
| 668 | K | 76 | Confident | 74.5 | Confident | 151 Ų | 151 | 61.7 Ų | 61.7 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -72.2 | -47.6 | -177.6 | -173.9 | -179.7 | 177.3 | -175.7 | 0 | 112.6 | E664 V665 E666 K672 | E664-K668 WeakPolarHBondContact O-CB 3.24Å; E664-K668 PolarHBondContact O-N 2.87Å; E664-K668 VanDerWaalsContact O-N 3.1Å; V665-K668 PolarHBondContact O-N 3.13Å; E666-K668 VanDerWaalsContact C-N 3.3Å; E666-K668 PolarHBondContact O-N 2.88Å; K668-K672 PolarHBondContact O-N 3.47Å |
| 669 | E | 67.6 | Low | 73 | Confident | 55 Ų | 55 | 66 Ų | 66 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.6 | -32.3 | -176.1 | -67 | -57.2 | 131 | 0 | 0 | 112 | F626 V665 E666 K672 S673 | F626-E669 HydrophobicContact CB-CB 4.39Å; F626-E669 HydrophobicContact CD1-CB 3.65Å; F626-E669 HydrophobicContact CD2-CB 3.72Å; F626-E669 HydrophobicContact CE1-CB 3.74Å; F626-E669 HydrophobicContact CE2-CB 3.81Å; F626-E669 HydrophobicContact CG-CB 3.63Å; F626-E669 HydrophobicContact CG-CG 4.31Å; F626-E669 HydrophobicContact CZ-CB 3.82Å; V665-E669 HydrophobicContact CG1-CG 4.27Å; V665-E669 WeakPolarHBondContact O-CB 3.2Å; V665-E669 WeakPolarHBondContact O-CG 3.14Å; V665-E669 PolarHBondContact O-N 2.76Å; E666-E669 PolarHBondContact O-N 3.26Å; E669-K672 PolarHBondContact O-N 2.79Å; E669-K672 IonicContact OE2-NZ 3.75Å; E669-S673 VanDerWaalsContact O-CB 3.23Å; E669-S673 WeakPolarHBondContact O-CB 3.35Å; E669-S673 PolarHBondContact O-N 2.85Å; E669-S673 PolarHBondContact O-OG 3.35Å |
| 670 | S | 73.6 | Confident | 71.2 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.4 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | C619 F626 V645 E666 K672 S673 A674 | C619-S670 WeakPolarHBondContact CB-OG 3.25Å; F626-S670 VanDerWaalsContact CE2-OG 3.3Å; F626-S670 WeakPolarHBondContact CE2-OG 3.42Å; F626-S670 VanDerWaalsContact CZ-N 3.32Å; F626-S670 VanDerWaalsContact CZ-OG 3.26Å; F626-S670 WeakPolarHBondContact CZ-OG 3.18Å; V645-S670 WeakPolarHBondContact CB-OG 3.31Å; V645-S670 VanDerWaalsContact CG1-CB 3.42Å; V645-S670 WeakPolarHBondContact CG1-OG 3.48Å; E666-S670 WeakPolarHBondContact O-CB 3.46Å; E666-S670 PolarHBondContact O-N 3.09Å; E666-S670 PolarHBondContact O-OG 3.24Å; S670-K672 PolarHBondContact O-N 3.34Å; S670-S673 PolarHBondContact O-N 3.13Å; S670-A674 WeakPolarHBondContact O-CB 3.49Å; S670-A674 PolarHBondContact O-N 3.41Å |
| 671 | L | 76.2 | Confident | 69.2 | Low | 51 Ų | 51 | 63.9 Ų | 63.9 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.9 | -81.7 | 166.3 | 0 | 0 | 0 | 112.7 | I656 K667 S673 K675 I693 | I656-L671 HydrophobicContact CD1-CB 4.49Å; I656-L671 HydrophobicContact CD1-CD2 3.36Å; I656-L671 HydrophobicContact CD1-CG 3.98Å; K667-L671 WeakPolarHBondContact O-CD1 3.16Å; K667-L671 WeakPolarHBondContact O-CG 3.44Å; K667-L671 PolarHBondContact O-N 3.35Å; L671-S673 VanDerWaalsContact C-N 3.34Å; L671-K675 WeakPolarHBondContact O-CG 3.15Å; L671-K675 PolarHBondContact O-N 3.23Å; L671-I693 HydrophobicContact CD1-CD1 4.17Å; L671-I693 HydrophobicContact CD2-CD1 3.47Å; L671-I693 VanDerWaalsContact CD2-CD1 3.47Å; L671-I693 HydrophobicContact CD2-CG1 3.86Å; L671-I693 HydrophobicContact CG-CD1 4.39Å |
| 672 | K | 71.9 | Confident | 67.5 | Low | 125 Ų | 125 | 63.3 Ų | 63.3 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 176 | -176.1 | -177.2 | 172.2 | -166.3 | 0 | 111.2 | K668 E669 S670 K675 M676 | K668-K672 PolarHBondContact O-N 3.47Å; E669-K672 PolarHBondContact O-N 2.79Å; E669-K672 IonicContact OE2-NZ 3.75Å; S670-K672 PolarHBondContact O-N 3.34Å; K672-K675 PolarHBondContact O-N 3.04Å; K672-M676 PolarHBondContact O-N 3.2Å |
| 673 | S | 69.3 | Low | 66.1 | Low | 25 Ų | 25 | 65.9 Ų | 65.9 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.4 | -37.2 | -177.8 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | F626 E669 S670 L671 K675 M676 Y677 | F626-S673 WeakPolarHBondContact CE1-OG 3.41Å; E669-S673 VanDerWaalsContact O-CB 3.23Å; E669-S673 WeakPolarHBondContact O-CB 3.35Å; E669-S673 PolarHBondContact O-N 2.85Å; E669-S673 PolarHBondContact O-OG 3.35Å; S670-S673 PolarHBondContact O-N 3.13Å; L671-S673 VanDerWaalsContact C-N 3.34Å; S673-K675 VanDerWaalsContact C-N 3.32Å; S673-K675 PolarHBondContact O-N 2.84Å; S673-M676 PolarHBondContact O-N 3.41Å; S673-Y677 WeakPolarHBondContact O-CB 3.44Å; S673-Y677 PolarHBondContact O-N 3.4Å |
| 674 | A | 70.9 | Confident | 64.6 | Low | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L647 I654 I656 S670 Y677 L678 I691 | L647-A674 HydrophobicContact CD1-CB 3.66Å; I654-A674 HydrophobicContact CG2-CB 4.26Å; I656-A674 HydrophobicContact CD1-CB 3.67Å; I656-A674 HydrophobicContact CG1-CB 4.14Å; S670-A674 WeakPolarHBondContact O-CB 3.49Å; S670-A674 PolarHBondContact O-N 3.41Å; A674-Y677 PolarHBondContact O-N 2.8Å; A674-L678 PolarHBondContact O-N 2.92Å; A674-I691 HydrophobicContact CB-CD1 4.13Å; A674-I691 HydrophobicContact CB-CG2 4.37Å |
| 675 | K | 72.3 | Confident | 63.9 | Low | 121 Ų | 121 | 61.1 Ų | 61.1 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 173.7 | -70.5 | 176.9 | -177.9 | -177.2 | 0 | 111.7 | L671 K672 S673 Y677 L678 E679 I691 | L671-K675 WeakPolarHBondContact O-CG 3.15Å; L671-K675 PolarHBondContact O-N 3.23Å; K672-K675 PolarHBondContact O-N 3.04Å; S673-K675 VanDerWaalsContact C-N 3.32Å; S673-K675 PolarHBondContact O-N 2.84Å; K675-Y677 VanDerWaalsContact C-N 3.33Å; K675-Y677 PolarHBondContact O-N 2.99Å; K675-L678 PolarHBondContact O-N 3.15Å; K675-E679 WeakPolarHBondContact O-CB 3.46Å; K675-E679 VanDerWaalsContact O-CG 3.31Å; K675-E679 WeakPolarHBondContact O-CG 3.31Å; K675-E679 PolarHBondContact O-N 2.86Å; K675-I691 HydrophobicContact CB-CD1 4.36Å; K675-I691 HydrophobicContact CG-CD1 3.56Å |
| 676 | M | 64.7 | Low | 63.9 | Low | 97 Ų | 97 | 60.8 Ų | 60.8 | 48% | 0.478 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 177 | -174.4 | 63.9 | 61.1 | 0 | 0 | 111.5 | K672 S673 L678 E679 T680 | K672-M676 PolarHBondContact O-N 3.2Å; S673-M676 PolarHBondContact O-N 3.41Å; M676-L678 VanDerWaalsContact C-N 3.34Å; M676-L678 PolarHBondContact O-N 3.32Å; M676-E679 PolarHBondContact O-N 2.99Å; M676-T680 HydrophobicContact CG-CG2 4.28Å; M676-T680 WeakPolarHBondContact O-CB 3.42Å; M676-T680 WeakPolarHBondContact O-CG2 3.39Å; M676-T680 PolarHBondContact O-N 3.25Å; M676-T680 PolarHBondContact O-OG1 2.81Å; M676-T680 HydrophobicContact SD-CG2 3.77Å |
| 677 | Y | 62.4 | Low | 64.1 | Low | 53 Ų | 53 | 67.8 Ų | 67.8 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.2 | -47.5 | 176.2 | 174.7 | -94.7 | 0 | 0 | 0 | 110.8 | Y617 D649 I654 S673 A674 K675 T680 D681 | Y617-Y677 HydrophobicContact CE2-CE2 4.44Å; Y617-Y677 WeakPolarHBondContact OH-CE2 3.44Å; Y617-Y677 PolarHBondContact OH-OH 2.97Å; D649-Y677 HydrophobicContact CB-CE1 4.06Å; D649-Y677 WeakPolarHBondContact OD2-CE1 3.24Å; D649-Y677 VanDerWaalsContact OD2-CZ 3.27Å; D649-Y677 PolarHBondContact OD2-OH 3.41Å; I654-Y677 HydrophobicContact CD1-CD1 3.89Å; I654-Y677 HydrophobicContact CD1-CE1 4.26Å; S673-Y677 WeakPolarHBondContact O-CB 3.44Å; S673-Y677 PolarHBondContact O-N 3.4Å; A674-Y677 PolarHBondContact O-N 2.8Å; K675-Y677 VanDerWaalsContact C-N 3.33Å; K675-Y677 PolarHBondContact O-N 2.99Å; Y677-T680 PolarHBondContact O-N 3.33Å; Y677-D681 PolarHBondContact O-N 3.35Å; Y677-D681 VanDerWaalsContact O-N 3.08Å |
| 678 | L | 61.7 | Low | 63.8 | Low | 8 Ų | 8 | 75.1 Ų | 75.1 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.3 | -177.4 | 61.3 | 0 | 0 | 0 | 113.1 | I654 A674 K675 M676 T680 R685 K687 T689 | I654-L678 HydrophobicContact CD1-CB 3.91Å; I654-L678 HydrophobicContact CD1-CD1 4.24Å; I654-L678 HydrophobicContact CD1-CG 4.48Å; A674-L678 PolarHBondContact O-N 2.92Å; K675-L678 PolarHBondContact O-N 3.15Å; M676-L678 VanDerWaalsContact C-N 3.34Å; M676-L678 PolarHBondContact O-N 3.32Å; L678-T680 VanDerWaalsContact C-N 3.28Å; L678-T680 PolarHBondContact O-N 3.05Å; L678-R685 HydrophobicContact CD1-CG 4.06Å; L678-K687 WeakPolarHBondContact CD2-O 3.48Å; L678-T689 HydrophobicContact CD1-CG2 4.18Å; L678-T689 WeakPolarHBondContact CD2-O 3.37Å |
| 679 | E | 61.6 | Low | 63.7 | Low | 113 Ų | 113 | 68.8 Ų | 68.8 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.2 | -28.2 | -179.4 | -77.3 | 174.9 | -176 | 0 | 0 | 113.5 | K675 M676 | K675-E679 WeakPolarHBondContact O-CB 3.46Å; K675-E679 VanDerWaalsContact O-CG 3.31Å; K675-E679 WeakPolarHBondContact O-CG 3.31Å; K675-E679 PolarHBondContact O-N 2.86Å; M676-E679 PolarHBondContact O-N 2.99Å |
| 680 | T | 48 | Very low | 64.5 | Low | 77 Ų | 77 | 69.4 Ų | 69.4 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -104.5 | 2.8 | -175.7 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | M676 Y677 L678 P682 | M676-T680 HydrophobicContact CG-CG2 4.28Å; M676-T680 WeakPolarHBondContact O-CB 3.42Å; M676-T680 WeakPolarHBondContact O-CG2 3.39Å; M676-T680 PolarHBondContact O-N 3.25Å; M676-T680 PolarHBondContact O-OG1 2.81Å; M676-T680 HydrophobicContact SD-CG2 3.77Å; Y677-T680 PolarHBondContact O-N 3.33Å; L678-T680 VanDerWaalsContact C-N 3.28Å; L678-T680 PolarHBondContact O-N 3.05Å; T680-P682 WeakPolarHBondContact O-CD 3.47Å |
| 681 | D | 47.6 | Very low | 65 | Low | 31 Ų | 31 | 71.7 Ų | 71.7 | 17% | 0.166 | 37% | 0.374 | C | S | . | . | trans | -59.2 | 116 | 178.3 | -167.9 | -32.1 | 0 | 0 | 0 | 110.4 | Y677 S683 R685 | Y677-D681 PolarHBondContact O-N 3.35Å; Y677-D681 VanDerWaalsContact O-N 3.08Å; D681-S683 PolarHBondContact O-N 2.8Å; D681-S683 VanDerWaalsContact OD1-CB 3.23Å; D681-S683 WeakPolarHBondContact OD1-CB 3.42Å; D681-S683 PolarHBondContact OD1-N 2.93Å; D681-S683 PolarHBondContact OD1-OG 2.76Å; D681-R685 HydrophobicContact CB-CB 4.4Å; D681-R685 VanDerWaalsContact OD2-CD 3.3Å; D681-R685 WeakPolarHBondContact OD2-CD 3.14Å; D681-R685 IonicContact OD2-NH1 2.75Å | ||
| 682 | P | 40.1 | Very low | 65.6 | Low | 96 Ų | 96 | 71.5 Ų | 71.5 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.9 | -173.9 | 30.4 | -35.3 | 0 | 0 | 0 | 113.3 | D354 T680 G684 | D354-P682 WeakPolarHBondContact OD2-CG 3.46Å; T680-P682 WeakPolarHBondContact O-CD 3.47Å; P682-G684 PolarHBondContact O-N 2.92Å |
| 683 | S | 48.9 | Very low | 66.5 | Low | 59 Ų | 59 | 69.8 Ų | 69.8 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.7 | -178.2 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | W651 D681 R685 | W651-S683 WeakPolarHBondContact CH2-OG 3.45Å; W651-S683 WeakPolarHBondContact CZ3-OG 3.33Å; D681-S683 PolarHBondContact O-N 2.8Å; D681-S683 VanDerWaalsContact OD1-CB 3.23Å; D681-S683 WeakPolarHBondContact OD1-CB 3.42Å; D681-S683 PolarHBondContact OD1-N 2.93Å; D681-S683 PolarHBondContact OD1-OG 2.76Å; S683-R685 VanDerWaalsContact C-N 3.32Å |
| 684 | G | 46.3 | Very low | 67.6 | Low | 70 Ų | 70 | 69 Ų | 69 | 72% | 0.722 | 36% | 0.364 | S | S | * | . | trans | 77.1 | 18.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P682 | P682-G684 PolarHBondContact O-N 2.92Š| ||
| 685 | R | 64 | Low | 68.6 | Low | 19 Ų | 19 | 75.7 Ų | 75.7 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | trans | -51.1 | 145.3 | 174.6 | -172.1 | 175.4 | -178.9 | -177.3 | -0.4 | 112.5 | D649 W651 L678 D681 S683 K687 | D649-R685 IonicContact OD1-CZ 2.72Å; D649-R685 IonicContact OD1-NH1 2.84Å; D649-R685 PolarHBondContact OD1-NH1 3.05Å; D649-R685 IonicContact OD1-NH2 2.64Å; D649-R685 PolarHBondContact OD1-NH2 2.71Å; D649-R685 IonicContact OD2-CZ 3.65Å; D649-R685 IonicContact OD2-NH1 3.62Å; D649-R685 PolarHBondContact OD2-NH1 2.79Å; W651-R685 HydrophobicContact CH2-CB 4.11Å; W651-R685 HydrophobicContact CH2-CG 4.39Å; W651-R685 HydrophobicContact CZ3-CB 4.37Å; W651-R685 HydrophobicContact CZ3-CG 4.44Å; W651-R685 PolarHBondContact O-NE 3.43Å; W651-R685 PolarHBondContact O-NH2 2.83Å; L678-R685 HydrophobicContact CD1-CG 4.06Å; D681-R685 HydrophobicContact CB-CB 4.4Å; D681-R685 VanDerWaalsContact OD2-CD 3.3Å; D681-R685 WeakPolarHBondContact OD2-CD 3.14Å; D681-R685 IonicContact OD2-NH1 2.75Å; S683-R685 VanDerWaalsContact C-N 3.32Å; R685-K687 PolarHBondContact O-N 2.8Å | ||
| 686 | D | 68.1 | Low | 69.5 | Low | 76 Ų | 76 | 71 Ų | 71 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | trans | -62.5 | 121.9 | -180 | -169.6 | -22.2 | 0 | 0 | 0 | 110 | R688 T689 | D686-R688 PolarHBondContact O-N 2.95Å; D686-R688 VanDerWaalsContact OD1-CB 3.31Å; D686-R688 WeakPolarHBondContact OD1-CB 3.48Å; D686-R688 WeakPolarHBondContact OD1-CG 3.49Å; D686-R688 IonicContact OD1-CZ 3.6Å; D686-R688 PolarHBondContact OD1-N 3.39Å; D686-R688 IonicContact OD1-NE 2.76Å; D686-R688 PolarHBondContact OD1-NE 2.91Å; D686-R688 VanDerWaalsContact OD1-NE 3.11Å; D686-R688 IonicContact OD1-NH2 3.54Å; D686-R688 IonicContact OD2-CZ 3.86Å; D686-R688 IonicContact OD2-NE 3.97Å; D686-R688 PolarHBondContact OD2-NE 3.34Å; D686-R688 IonicContact OD2-NH2 2.9Å; D686-R688 PolarHBondContact OD2-NH2 3.44Å; D686-T689 WeakPolarHBondContact O-CB 3.16Å; D686-T689 PolarHBondContact O-N 3.02Å; D686-T689 PolarHBondContact O-OG1 3.11Å | ||
| 687 | K | 72.7 | Confident | 70.6 | Confident | 147 Ų | 147 | 68.8 Ų | 68.8 | 64% | 0.639 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.2 | 178.3 | -60.7 | -175.1 | 178.6 | -170.2 | 0 | 113.6 | L678 R685 | L678-K687 WeakPolarHBondContact CD2-O 3.48Å; R685-K687 PolarHBondContact O-N 2.8Å |
| 688 | R | 75.9 | Confident | 71.9 | Confident | 203 Ų | 203 | 73.5 Ų | 73.5 | 77% | 0.766 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.5 | 173.7 | -58.8 | 172.7 | -65.5 | 176.4 | 5.3 | 113 | D686 | D686-R688 PolarHBondContact O-N 2.95Å; D686-R688 VanDerWaalsContact OD1-CB 3.31Å; D686-R688 WeakPolarHBondContact OD1-CB 3.48Å; D686-R688 WeakPolarHBondContact OD1-CG 3.49Å; D686-R688 IonicContact OD1-CZ 3.6Å; D686-R688 PolarHBondContact OD1-N 3.39Å; D686-R688 IonicContact OD1-NE 2.76Å; D686-R688 PolarHBondContact OD1-NE 2.91Å; D686-R688 VanDerWaalsContact OD1-NE 3.11Å; D686-R688 IonicContact OD1-NH2 3.54Å; D686-R688 IonicContact OD2-CZ 3.86Å; D686-R688 IonicContact OD2-NE 3.97Å; D686-R688 PolarHBondContact OD2-NE 3.34Å; D686-R688 IonicContact OD2-NH2 2.9Å; D686-R688 PolarHBondContact OD2-NH2 3.44Å |
| 689 | T | 74.6 | Confident | 73.3 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | trans | -47.9 | 126.7 | 171.4 | -72.8 | 0 | 0 | 0 | 0 | 109.6 | I654 L678 D686 I691 | I654-T689 HydrophobicContact CG1-CG2 4.46Å; L678-T689 HydrophobicContact CD1-CG2 4.18Å; L678-T689 WeakPolarHBondContact CD2-O 3.37Å; D686-T689 WeakPolarHBondContact O-CB 3.16Å; D686-T689 PolarHBondContact O-N 3.02Å; D686-T689 PolarHBondContact O-OG1 3.11Å; T689-I691 PolarHBondContact O-N 3.21Å | ||
| 690 | P | 82.6 | Confident | 74.3 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | trans | -64.9 | 135.4 | -176.1 | 24.5 | -34.2 | 0 | 0 | 0 | 111.6 | E652 Q653 I654 V692 | E652-P690 VanDerWaalsContact O-CD 3.31Å; E652-P690 WeakPolarHBondContact O-CD 3.29Å; Q653-P690 WeakPolarHBondContact CA-O 3.38Å; Q653-P690 HydrophobicContact CB-CG 3.84Å; I654-P690 PolarHBondContact N-O 3.23Å; P690-V692 HydrophobicContact CB-CG2 4.49Å | ||
| 691 | I | 85.6 | Confident | 75.7 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.3 | 167.8 | -59.6 | 175.8 | 0 | 0 | 0 | 107.5 | I654 I656 A674 K675 T689 | I654-I691 HydrophobicContact CB-CG1 4.33Å; I654-I691 CarbonylContact O-C 3.52Å; I654-I691 VanDerWaalsContact O-CA 3.25Å; I654-I691 WeakPolarHBondContact O-CA 3.14Å; I656-I691 HydrophobicContact CD1-CG2 3.42Å; I656-I691 VanDerWaalsContact CD1-CG2 3.42Å; I656-I691 HydrophobicContact CG1-CG2 3.92Å; A674-I691 HydrophobicContact CB-CD1 4.13Å; A674-I691 HydrophobicContact CB-CG2 4.37Å; K675-I691 HydrophobicContact CB-CD1 4.36Å; K675-I691 HydrophobicContact CG-CD1 3.56Å; T689-I691 PolarHBondContact O-N 3.21Å |
| 692 | V | 87.4 | Confident | 77.2 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 29% | 0.285 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.2 | -174.3 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | I654 F655 I656 P690 I694 | I654-V692 PolarHBondContact O-N 2.99Å; F655-V692 CarbonylContact C-O 3.4Å; F655-V692 VanDerWaalsContact CA-O 3.32Å; F655-V692 WeakPolarHBondContact CA-O 3.35Å; F655-V692 HydrophobicContact CD1-CB 3.73Å; F655-V692 HydrophobicContact CD1-CG1 3.98Å; F655-V692 HydrophobicContact CD1-CG2 4.46Å; F655-V692 HydrophobicContact CE1-CB 4.07Å; F655-V692 HydrophobicContact CE1-CG1 4.12Å; F655-V692 HydrophobicContact CE1-CG2 4.42Å; I656-V692 PolarHBondContact N-O 2.78Å; P690-V692 HydrophobicContact CB-CG2 4.49Å; V692-I694 HydrophobicContact CG1-CG1 4.29Å |
| 693 | I | 92.1 | Very high | 79.4 | Confident | 90 Ų | 90 | 65.4 Ų | 65.4 | 46% | 0.462 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.6 | 179 | -54.7 | 173.5 | 0 | 0 | 0 | 109.3 | I656 I658 L671 | I656-I693 CarbonylContact O-C 3.59Å; I656-I693 WeakPolarHBondContact O-CA 3.39Å; I658-I693 HydrophobicContact CD1-CG2 3.51Å; I658-I693 HydrophobicContact CG1-CG2 4.18Å; L671-I693 HydrophobicContact CD1-CD1 4.17Å; L671-I693 HydrophobicContact CD2-CD1 3.47Å; L671-I693 VanDerWaalsContact CD2-CD1 3.47Å; L671-I693 HydrophobicContact CD2-CG1 3.86Å; L671-I693 HydrophobicContact CG-CD1 4.39Å |
| 694 | I | 92.3 | Very high | 81.1 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.1 | 179.9 | -61.8 | 167.3 | 0 | 0 | 0 | 108.4 | F655 I656 W657 I658 V692 E699 P700 F703 | F655-I694 HydrophobicContact CB-CD1 4.13Å; F655-I694 HydrophobicContact CD1-CD1 3.3Å; F655-I694 HydrophobicContact CD1-CG1 4.27Å; F655-I694 HydrophobicContact CE1-CD1 3.91Å; F655-I694 HydrophobicContact CG-CD1 4.01Å; I656-I694 PolarHBondContact O-N 3.39Å; W657-I694 CarbonylContact C-O 3.54Å; W657-I694 WeakPolarHBondContact CA-O 3.45Å; I658-I694 PolarHBondContact N-O 3.01Å; V692-I694 HydrophobicContact CG1-CG1 4.29Å; I694-E699 HydrophobicContact CG2-CB 4.17Å; I694-E699 HydrophobicContact CG2-CG 3.83Å; I694-P700 HydrophobicContact CD1-CG 3.97Å; I694-P700 HydrophobicContact CG1-CG 4.34Å; I694-F703 HydrophobicContact CD1-CB 3.48Å; I694-F703 VanDerWaalsContact CD1-CB 3.48Å; I694-F703 HydrophobicContact CD1-CD1 4.35Å; I694-F703 HydrophobicContact CD1-CD2 3.49Å; I694-F703 VanDerWaalsContact CD1-CD2 3.49Å; I694-F703 HydrophobicContact CD1-CE2 4.28Å; I694-F703 HydrophobicContact CD1-CG 3.52Å |
| 695 | K | 92.3 | Very high | 82.7 | Confident | 142 Ų | 142 | 60.6 Ų | 60.6 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.6 | 173.9 | -63.9 | -179.5 | -179.2 | 178.7 | 0 | 109.3 | G697 H698 | K695-G697 PolarHBondContact O-N 3.24Å; K695-H698 PolarHBondContact O-N 3.02Å |
| 696 | Q | 91.4 | Very high | 83.4 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 134 | 173.4 | -178.3 | 177.1 | -16 | 0 | 0 | 111.7 | E642 W657 I658 K660 H698 E699 W715 | E642-Q696 PolarHBondContact OE2-NE2 2.75Å; W657-Q696 HydrophobicContact CH2-CB 4.1Å; W657-Q696 HydrophobicContact CH2-CG 4.19Å; W657-Q696 HydrophobicContact CZ2-CB 3.56Å; W657-Q696 HydrophobicContact CZ2-CG 3.66Å; I658-Q696 PolarHBondContact O-N 3.4Å; K660-Q696 HydrophobicContact CB-CB 4.39Å; Q696-H698 VanDerWaalsContact C-N 3.26Å; Q696-H698 PolarHBondContact O-N 3.45Å; Q696-H698 PolarHBondContact O-ND1 3.09Å; Q696-E699 VanDerWaalsContact CA-OE1 3.31Å; Q696-E699 WeakPolarHBondContact CA-OE1 3.46Å; Q696-W715 HydrophobicContact CG-CD2 4.43Å; Q696-W715 HydrophobicContact CG-CE3 4.07Å; Q696-W715 VanDerWaalsContact NE2-CG 3.26Å |
| 697 | G | 87.9 | Confident | 84.1 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 4.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | K695 E699 | K695-G697 PolarHBondContact O-N 3.24Å; G697-E699 VanDerWaalsContact C-OE2 3.25Å; G697-E699 WeakPolarHBondContact CA-OE2 3.3Å; G697-E699 VanDerWaalsContact N-CD 3.32Å; G697-E699 PolarHBondContact N-OE1 2.92Å; G697-E699 PolarHBondContact N-OE2 3.27Å |
| 698 | H | 89.8 | Confident | 84.4 | Confident | 153 Ų | 153 | 51.2 Ų | 51.2 | 71% | 0.708 | 27% | 0.268 | S | S | * | . | trans | -132.9 | 31.7 | 178.5 | -57.9 | 76.7 | 0 | 0 | 0 | 110.9 | K695 Q696 | K695-H698 PolarHBondContact O-N 3.02Å; Q696-H698 VanDerWaalsContact C-N 3.26Å; Q696-H698 PolarHBondContact O-N 3.45Å; Q696-H698 PolarHBondContact O-ND1 3.09Å | ||
| 699 | E | 90.1 | Very high | 84.5 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | trans | -71.6 | 126.6 | -178.8 | -59.9 | 83.5 | 175.5 | 0 | 0 | 111.2 | W657 I694 Q696 G697 F703 T704 W710 | W657-E699 PolarHBondContact NE1-OE1 3.39Å; I694-E699 HydrophobicContact CG2-CB 4.17Å; I694-E699 HydrophobicContact CG2-CG 3.83Å; Q696-E699 VanDerWaalsContact CA-OE1 3.31Å; Q696-E699 WeakPolarHBondContact CA-OE1 3.46Å; G697-E699 VanDerWaalsContact C-OE2 3.25Å; G697-E699 WeakPolarHBondContact CA-OE2 3.3Å; G697-E699 VanDerWaalsContact N-CD 3.32Å; G697-E699 PolarHBondContact N-OE1 2.92Å; G697-E699 PolarHBondContact N-OE2 3.27Å; E699-F703 HydrophobicContact CB-CD1 3.89Å; E699-F703 HydrophobicContact CG-CD1 3.83Å; E699-F703 HydrophobicContact CG-CE1 3.98Å; E699-T704 HydrophobicContact CB-CG2 3.44Å; E699-T704 VanDerWaalsContact CB-CG2 3.44Å; E699-T704 HydrophobicContact CG-CG2 4.44Å; E699-W710 HydrophobicContact CB-CH2 4.47Å; E699-W710 HydrophobicContact CB-CZ2 4.08Å; E699-W710 HydrophobicContact CG-CH2 3.89Å; E699-W710 HydrophobicContact CG-CZ2 3.77Å | ||
| 700 | P | 82.9 | Confident | 84.9 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | trans | -74.5 | 159.2 | 174.8 | 32 | -35.2 | 0 | 0 | 0 | 111.1 | I694 T702 F703 T704 | I694-P700 HydrophobicContact CD1-CG 3.97Å; I694-P700 HydrophobicContact CG1-CG 4.34Å; P700-T702 PolarHBondContact O-N 3.17Å; P700-T702 VanDerWaalsContact O-N 3.13Å; P700-F703 HydrophobicContact CG-CB 4.08Å; P700-F703 WeakPolarHBondContact O-CA 3.44Å; P700-F703 WeakPolarHBondContact O-CB 3.22Å; P700-F703 PolarHBondContact O-N 3.18Å; P700-T704 PolarHBondContact O-N 3.27Å | ||
| 701 | P | 78.2 | Confident | 84.8 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.6 | -33.3 | 175.6 | -27.7 | 36.9 | 0 | 0 | 0 | 113.4 | D598 F703 T704 G705 | D598-P701 WeakPolarHBondContact O-CG 3.13Å; P701-F703 PolarHBondContact O-N 3.44Å; P701-F703 VanDerWaalsContact O-N 3.09Å; P701-T704 WeakPolarHBondContact CA-OG1 3.28Å; P701-T704 PolarHBondContact O-N 3.35Å; P701-G705 PolarHBondContact O-N 2.91Å; P701-G705 VanDerWaalsContact O-N 3.1Å |
| 702 | T | 78.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 42.5 Ų | 42.5 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.2 | -14 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | Q600 F655 P700 W706 | Q600-T702 VanDerWaalsContact NE2-CA 3.29Å; Q600-T702 PolarHBondContact NE2-O 2.93Å; F655-T702 VanDerWaalsContact CZ-O 3.27Å; F655-T702 WeakPolarHBondContact CZ-O 3.2Å; P700-T702 PolarHBondContact O-N 3.17Å; P700-T702 VanDerWaalsContact O-N 3.13Å; T702-W706 PolarHBondContact O-NE1 3.41Å |
| 703 | F | 85.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -104.3 | -51.9 | 171.6 | 178.4 | -94.3 | 0 | 0 | 0 | 112 | L640 L648 F655 W657 I694 E699 P700 P701 G705 W706 F707 W710 | L640-F703 HydrophobicContact CD1-CE1 3.97Å; L640-F703 HydrophobicContact CD1-CZ 4.23Å; L640-F703 HydrophobicContact CD2-CZ 4.21Å; L648-F703 HydrophobicContact CB-CE2 4.03Å; L648-F703 HydrophobicContact CD2-CD2 3.85Å; L648-F703 HydrophobicContact CD2-CE2 3.81Å; F655-F703 HydrophobicContact CB-CD2 3.71Å; F655-F703 HydrophobicContact CB-CE2 3.93Å; F655-F703 HydrophobicContact CD1-CB 4.47Å; F655-F703 HydrophobicContact CD1-CD2 4.12Å; F655-F703 HydrophobicContact CD2-CD2 4.01Å; F655-F703 HydrophobicContact CE1-CB 4.35Å; F655-F703 AromaticContact CG-CD2 3.7Å; F655-F703 HydrophobicContact CG-CD2 3.7Å; F655-F703 HydrophobicContact CG-CE2 4.4Å; F655-F703 HydrophobicContact CZ-CB 4.49Å; W657-F703 HydrophobicContact CB-CE1 4.49Å; W657-F703 HydrophobicContact CB-CE2 4.03Å; W657-F703 HydrophobicContact CB-CZ 3.69Å; W657-F703 AromaticContact CD1-CE1 3.56Å; W657-F703 AromaticContact CD1-CZ 3.62Å; W657-F703 HydrophobicContact CG-CE1 4.2Å; W657-F703 AromaticContact CG-CZ 3.82Å; W657-F703 HydrophobicContact CG-CZ 3.82Å; I694-F703 HydrophobicContact CD1-CB 3.48Å; I694-F703 VanDerWaalsContact CD1-CB 3.48Å; I694-F703 HydrophobicContact CD1-CD1 4.35Å; I694-F703 HydrophobicContact CD1-CD2 3.49Å; I694-F703 VanDerWaalsContact CD1-CD2 3.49Å; I694-F703 HydrophobicContact CD1-CE2 4.28Å; I694-F703 HydrophobicContact CD1-CG 3.52Å; E699-F703 HydrophobicContact CB-CD1 3.89Å; E699-F703 HydrophobicContact CG-CD1 3.83Å; E699-F703 HydrophobicContact CG-CE1 3.98Å; P700-F703 HydrophobicContact CG-CB 4.08Å; P700-F703 WeakPolarHBondContact O-CA 3.44Å; P700-F703 WeakPolarHBondContact O-CB 3.22Å; P700-F703 PolarHBondContact O-N 3.18Å; P701-F703 PolarHBondContact O-N 3.44Å; P701-F703 VanDerWaalsContact O-N 3.09Å; F703-G705 PolarHBondContact O-N 3.49Å; F703-W706 WeakPolarHBondContact O-CB 3.12Å; F703-W706 PolarHBondContact O-N 3.17Å; F703-W706 VanDerWaalsContact O-N 3.13Å; F703-F707 AromaticContact CD1-CE2 3.92Å; F703-F707 HydrophobicContact CD1-CE2 3.92Å; F703-F707 HydrophobicContact CD2-CE2 4.46Å; F703-F707 HydrophobicContact CE1-CD2 4.27Å; F703-F707 AromaticContact CE1-CE2 3.44Å; F703-F707 HydrophobicContact CE1-CE2 3.44Å; F703-F707 VanDerWaalsContact CE1-CE2 3.44Å; F703-F707 AromaticContact CE1-CZ 3.94Å; F703-F707 HydrophobicContact CE1-CZ 3.94Å; F703-F707 HydrophobicContact CE2-CE2 4.04Å; F703-F707 HydrophobicContact CE2-CZ 4.33Å; F703-F707 HydrophobicContact CG-CE2 4.42Å; F703-F707 AromaticContact CZ-CE2 3.51Å; F703-F707 HydrophobicContact CZ-CE2 3.51Å; F703-F707 AromaticContact CZ-CZ 3.67Å; F703-F707 HydrophobicContact CZ-CZ 3.67Å; F703-W710 HydrophobicContact CD1-CH2 4.45Å; F703-W710 HydrophobicContact CE1-CH2 4.06Å; F703-W710 HydrophobicContact CE1-CZ3 4.27Å |
| 704 | T | 85.3 | Confident | 83.5 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 11% | 0.11 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -32 | -173.5 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | E699 P700 P701 W706 F707 W710 | E699-T704 HydrophobicContact CB-CG2 3.44Å; E699-T704 VanDerWaalsContact CB-CG2 3.44Å; E699-T704 HydrophobicContact CG-CG2 4.44Å; P700-T704 PolarHBondContact O-N 3.27Å; P701-T704 WeakPolarHBondContact CA-OG1 3.28Å; P701-T704 PolarHBondContact O-N 3.35Å; T704-W706 PolarHBondContact O-N 2.88Å; T704-W706 VanDerWaalsContact O-N 3.1Å; T704-F707 PolarHBondContact O-N 2.93Å; T704-W710 HydrophobicContact CG2-CD2 3.76Å; T704-W710 VanDerWaalsContact CG2-CE2 3.4Å; T704-W710 HydrophobicContact CG2-CE3 4.33Å; T704-W710 HydrophobicContact CG2-CG 4.16Å; T704-W710 HydrophobicContact CG2-CH2 4.23Å; T704-W710 HydrophobicContact CG2-CZ2 3.68Å |
| 705 | G | 79.4 | Confident | 82.8 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R516 N536 P701 F703 F707 | R516-G705 PolarHBondContact NH2-O 3.44Å; N536-G705 PolarHBondContact ND2-O 2.92Å; P701-G705 PolarHBondContact O-N 2.91Å; P701-G705 VanDerWaalsContact O-N 3.1Å; F703-G705 PolarHBondContact O-N 3.49Å; G705-F707 PolarHBondContact O-N 3.25Å |
| 706 | W | 79 | Confident | 82.4 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.9 | 175.1 | -67.6 | 108.9 | 0 | 0 | 0 | 113.4 | L605 P614 L648 A650 T702 F703 T704 | L605-W706 HydrophobicContact CD2-CE3 4.29Å; L605-W706 HydrophobicContact CD2-CH2 3.49Å; L605-W706 VanDerWaalsContact CD2-CH2 3.49Å; L605-W706 HydrophobicContact CD2-CZ2 4.22Å; L605-W706 HydrophobicContact CD2-CZ3 3.52Å; L605-W706 HydrophobicContact CG-CH2 4.26Å; P614-W706 HydrophobicContact CB-CD2 4.34Å; P614-W706 HydrophobicContact CB-CE3 3.83Å; P614-W706 HydrophobicContact CB-CH2 4.42Å; P614-W706 HydrophobicContact CB-CZ3 3.87Å; P614-W706 HydrophobicContact CG-CE3 3.6Å; P614-W706 HydrophobicContact CG-CH2 4.46Å; P614-W706 HydrophobicContact CG-CZ3 3.55Å; L648-W706 HydrophobicContact CD2-CB 3.84Å; L648-W706 HydrophobicContact CD2-CG 3.82Å; A650-W706 HydrophobicContact CB-CZ2 3.72Å; T702-W706 PolarHBondContact O-NE1 3.41Å; F703-W706 WeakPolarHBondContact O-CB 3.12Å; F703-W706 PolarHBondContact O-N 3.17Å; F703-W706 VanDerWaalsContact O-N 3.13Å; T704-W706 PolarHBondContact O-N 2.88Å; T704-W706 VanDerWaalsContact O-N 3.1Å |
| 707 | F | 82.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -102.6 | 128.8 | -178.2 | -60.6 | -96.5 | 0 | 0 | 0 | 109.9 | L616 F635 T636 L640 L648 F703 T704 G705 G709 W710 | L616-F707 HydrophobicContact CD1-CZ 4.45Å; L616-F707 HydrophobicContact CD2-CE1 4.02Å; L616-F707 HydrophobicContact CD2-CZ 4.4Å; F635-F707 HydrophobicContact CB-CD1 3.57Å; F635-F707 HydrophobicContact CB-CE1 3.67Å; F635-F707 HydrophobicContact CB-CG 4.33Å; F635-F707 HydrophobicContact CB-CZ 4.46Å; F635-F707 WeakPolarHBondContact O-CA 3.12Å; T636-F707 WeakPolarHBondContact O-CD1 3.1Å; L640-F707 HydrophobicContact CD1-CE1 4.1Å; L640-F707 HydrophobicContact CD1-CZ 4.06Å; L640-F707 HydrophobicContact CD2-CE1 3.9Å; L640-F707 HydrophobicContact CD2-CZ 3.79Å; L640-F707 HydrophobicContact CG-CE1 3.92Å; L640-F707 HydrophobicContact CG-CZ 4.14Å; L648-F707 HydrophobicContact CD2-CE2 4.16Å; F703-F707 AromaticContact CD1-CE2 3.92Å; F703-F707 HydrophobicContact CD1-CE2 3.92Å; F703-F707 HydrophobicContact CD2-CE2 4.46Å; F703-F707 HydrophobicContact CE1-CD2 4.27Å; F703-F707 AromaticContact CE1-CE2 3.44Å; F703-F707 HydrophobicContact CE1-CE2 3.44Å; F703-F707 VanDerWaalsContact CE1-CE2 3.44Å; F703-F707 AromaticContact CE1-CZ 3.94Å; F703-F707 HydrophobicContact CE1-CZ 3.94Å; F703-F707 HydrophobicContact CE2-CE2 4.04Å; F703-F707 HydrophobicContact CE2-CZ 4.33Å; F703-F707 HydrophobicContact CG-CE2 4.42Å; F703-F707 AromaticContact CZ-CE2 3.51Å; F703-F707 HydrophobicContact CZ-CE2 3.51Å; F703-F707 AromaticContact CZ-CZ 3.67Å; F703-F707 HydrophobicContact CZ-CZ 3.67Å; T704-F707 PolarHBondContact O-N 2.93Å; G705-F707 PolarHBondContact O-N 3.25Å; F707-G709 PolarHBondContact O-N 2.69Å; F707-W710 HydrophobicContact CB-CE3 3.67Å; F707-W710 HydrophobicContact CB-CZ3 4.18Å; F707-W710 HydrophobicContact CD1-CZ3 4.28Å; F707-W710 AromaticContact CD2-CE3 3.96Å; F707-W710 HydrophobicContact CD2-CE3 3.96Å; F707-W710 AromaticContact CD2-CZ3 3.73Å; F707-W710 HydrophobicContact CD2-CZ3 3.73Å; F707-W710 HydrophobicContact CE2-CZ3 4.2Å; F707-W710 AromaticContact CG-CE3 3.82Å; F707-W710 HydrophobicContact CG-CE3 3.82Å; F707-W710 AromaticContact CG-CZ3 3.79Å; F707-W710 HydrophobicContact CG-CZ3 3.79Å |
| 708 | L | 79.3 | Confident | 81.5 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 127.4 | 178.4 | -179.9 | 64 | 0 | 0 | 0 | 109.9 | Q514 R516 R524 V526 F635 | Q514-L708 HydrophobicContact CG-CD1 4.13Å; R516-L708 HydrophobicContact CB-CD1 3.84Å; R524-L708 HydrophobicContact CB-CD2 4.01Å; V526-L708 HydrophobicContact CG2-CD1 4.15Å; V526-L708 HydrophobicContact CG2-CD2 3.93Å; V526-L708 HydrophobicContact CG2-CG 3.9Å; F635-L708 PolarHBondContact O-N 3.07Å |
| 709 | G | 77.9 | Confident | 81.1 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 38.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q514 F707 D711 | Q514-G709 VanDerWaalsContact OE1-N 3.12Å; F707-G709 PolarHBondContact O-N 2.69Å; G709-D711 PolarHBondContact O-N 3.34Å |
| 710 | W | 82.5 | Confident | 80.5 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 13% | 0.125 | 22% | 0.221 | C | C | . | . | trans | -55.2 | 135.1 | -180 | -171.8 | -89.4 | 0 | 0 | 0 | 112.7 | Q637 L640 E699 F703 T704 F707 | Q637-W710 HydrophobicContact CB-CE3 3.92Å; Q637-W710 HydrophobicContact CB-CZ3 4.09Å; Q637-W710 HydrophobicContact CG-CD2 4.18Å; Q637-W710 HydrophobicContact CG-CE3 3.79Å; Q637-W710 HydrophobicContact CG-CH2 3.93Å; Q637-W710 HydrophobicContact CG-CZ2 4.26Å; Q637-W710 HydrophobicContact CG-CZ3 3.69Å; L640-W710 HydrophobicContact CD1-CH2 3.49Å; L640-W710 VanDerWaalsContact CD1-CH2 3.49Å; L640-W710 HydrophobicContact CD1-CZ3 3.55Å; E699-W710 HydrophobicContact CB-CH2 4.47Å; E699-W710 HydrophobicContact CB-CZ2 4.08Å; E699-W710 HydrophobicContact CG-CH2 3.89Å; E699-W710 HydrophobicContact CG-CZ2 3.77Å; F703-W710 HydrophobicContact CD1-CH2 4.45Å; F703-W710 HydrophobicContact CE1-CH2 4.06Å; F703-W710 HydrophobicContact CE1-CZ3 4.27Å; T704-W710 HydrophobicContact CG2-CD2 3.76Å; T704-W710 VanDerWaalsContact CG2-CE2 3.4Å; T704-W710 HydrophobicContact CG2-CE3 4.33Å; T704-W710 HydrophobicContact CG2-CG 4.16Å; T704-W710 HydrophobicContact CG2-CH2 4.23Å; T704-W710 HydrophobicContact CG2-CZ2 3.68Å; F707-W710 HydrophobicContact CB-CE3 3.67Å; F707-W710 HydrophobicContact CB-CZ3 4.18Å; F707-W710 HydrophobicContact CD1-CZ3 4.28Å; F707-W710 AromaticContact CD2-CE3 3.96Å; F707-W710 HydrophobicContact CD2-CE3 3.96Å; F707-W710 AromaticContact CD2-CZ3 3.73Å; F707-W710 HydrophobicContact CD2-CZ3 3.73Å; F707-W710 HydrophobicContact CE2-CZ3 4.2Å; F707-W710 AromaticContact CG-CE3 3.82Å; F707-W710 HydrophobicContact CG-CE3 3.82Å; F707-W710 AromaticContact CG-CZ3 3.79Å; F707-W710 HydrophobicContact CG-CZ3 3.79Å | ||
| 711 | D | 80.4 | Confident | 80.3 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | trans | -110.5 | 110.7 | 175.5 | -173.7 | -5.5 | 0 | 0 | 0 | 110.8 | K495 Q637 G709 S713 K714 | K495-D711 VanDerWaalsContact CE-OD1 3.28Å; K495-D711 WeakPolarHBondContact CE-OD1 3.13Å; K495-D711 WeakPolarHBondContact CE-OD2 3.41Å; K495-D711 IonicContact NZ-OD1 3.46Å; K495-D711 PolarHBondContact NZ-OD1 3Å; K495-D711 IonicContact NZ-OD2 2.69Å; Q637-D711 PolarHBondContact NE2-O 2.94Å; Q637-D711 PolarHBondContact OE1-O 3.05Å; G709-D711 PolarHBondContact O-N 3.34Å; D711-S713 PolarHBondContact O-N 3.5Å; D711-S713 WeakPolarHBondContact OD1-CB 3.34Å; D711-S713 PolarHBondContact OD1-N 2.83Å; D711-S713 PolarHBondContact OD1-OG 2.84Å; D711-K714 HydrophobicContact CB-CB 4.3Å; D711-K714 PolarHBondContact O-N 3.46Å | ||
| 712 | S | 81.5 | Confident | 80.5 | Confident | 89 Ų | 89 | 39.4 Ų | 39.4 | 62% | 0.622 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.1 | 178 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | D529 | D529-S712 PolarHBondContact OD2-N 3.46Å; D529-S712 PolarHBondContact OD2-OG 3.14Å |
| 713 | S | 79.4 | Confident | 80.6 | Confident | 87 Ų | 87 | 38.2 Ų | 38.2 | 61% | 0.608 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.2 | -173.5 | 69.5 | 0 | 0 | 0 | 0 | 114.8 | D711 W715 | D711-S713 PolarHBondContact O-N 3.5Å; D711-S713 WeakPolarHBondContact OD1-CB 3.34Å; D711-S713 PolarHBondContact OD1-N 2.83Å; D711-S713 PolarHBondContact OD1-OG 2.84Å; S713-W715 PolarHBondContact O-N 3.42Å |
| 714 | K | 76.6 | Confident | 80.2 | Confident | 67 Ų | 67 | 41.3 Ų | 41.3 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | trans | -64.1 | -35.6 | -171.2 | -171.9 | 178 | -179.5 | 178.9 | 0 | 114.6 | Q637 D638 D711 | Q637-K714 VanDerWaalsContact C-NZ 3.26Å; Q637-K714 HydrophobicContact CB-CD 4.38Å; Q637-K714 VanDerWaalsContact CD-CD 3.43Å; Q637-K714 HydrophobicContact CG-CD 3.76Å; Q637-K714 PolarHBondContact O-NZ 3.24Å; D638-K714 WeakPolarHBondContact OD1-CE 3.25Å; D638-K714 IonicContact OD1-NZ 2.66Å; D638-K714 PolarHBondContact OD1-NZ 2.87Å; D711-K714 HydrophobicContact CB-CB 4.3Å; D711-K714 PolarHBondContact O-N 3.46Å | ||
| 715 | W | 78.6 | Confident | 79.8 | Confident | 114 Ų | 114 | 43.5 Ų | 43.5 | 43% | 0.432 | 24% | 0.241 | S | C | . | . | trans | -129 | 0 | -174.6 | -63.6 | -58.1 | 0 | 0 | 0 | 113.6 | Q637 L640 E642 W657 Q696 S713 | Q637-W715 HydrophobicContact CG-CH2 3.66Å; Q637-W715 HydrophobicContact CG-CZ3 3.72Å; Q637-W715 WeakPolarHBondContact O-CH2 3.43Å; L640-W715 HydrophobicContact CB-CH2 3.95Å; E642-W715 HydrophobicContact CG-CD2 4.48Å; E642-W715 HydrophobicContact CG-CZ2 4.09Å; E642-W715 PolarHBondContact OE1-NE1 3.42Å; W657-W715 HydrophobicContact CZ2-CH2 4.43Å; W657-W715 HydrophobicContact CZ2-CZ3 4.12Å; Q696-W715 HydrophobicContact CG-CD2 4.43Å; Q696-W715 HydrophobicContact CG-CE3 4.07Å; Q696-W715 VanDerWaalsContact NE2-CG 3.26Å; S713-W715 PolarHBondContact O-N 3.42Å |
Retrieved 715 of 715 residues in 254 ms
(Link to these results)